139455 <common-name>Crozbaciclib</common-name> <description>Crozbaciclib belongs to the indoles, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has the formula C28H30F2N6 and an average molecular weight of 488.59 g/mol.</description> <cas>2099128-41-1</cas> <pubchem-id nil="true"/> <chemical-formula>C28H30F2N6</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-14T21:56:51Z</created-at> <updated-at type="dateTime">2026-05-14T20:06:38Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB18081</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CN1CCC(CC1)C1=CC=C(NC2=NC=C(F)C(=N2)C2=CC3=C(N=C(C)C33CCCC3)C(F)=C2)N=C1</moldb-smiles> <moldb-formula>C28H30F2N6</moldb-formula> <moldb-inchi>InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)</moldb-inchi> <moldb-inchikey>AEFFENQISAXIKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">488.587</moldb-average-mass> <moldb-mono-mass type="decimal">488.250001316</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.78</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM135348</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>5-fluoro-4-{7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indol]-5'-yl}-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Indoles and derivatives</klass> <subklass>Indoles</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0161775</sync-id> <structure-inchikey>AEFFENQISAXIKE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000010000000000000000000000000010000000000000000000000000000100000000000002000000000000000000020000000100000000000008000000000000000000000000000000000000010000000000000000000008104200000000000000000100080001000070301000001000800400000100800000068100000001000000000004080a00000000400000000084000000001000000000004000000000000080000000000000000080000008000010000000100000040000200000000000002004000000000000000002800000600000000000010000000008001000040000000000000800000100000080000800000040000</structure-fingerprint> 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