riviciclib   

GtoPdb Ligand ID: 7934

Synonyms: P276-00 [1]
Compound class: Synthetic organic
Comment: Riviciclib is a flavone based cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 94.14
Molecular weight 401.1
XLogP 3.95
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC1N(C)CCC1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O
Isomeric SMILES OC[C@@H]1N(C)CC[C@H]1c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O
InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(14(23)10-24)19-15(25)8-16(26)20-17(27)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,14,24-26H,6-7,10H2,1H3/t12-,14+/m1/s1
InChI Key QLUYMIVVAYRECT-OCCSQVGLSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(2-chlorophenyl)-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one
International Nonproprietary Names
INN number INN
9792 riviciclib
Synonyms
P276-00 [1]
Database Links
CAS Registry No. 920113-02-6
GtoPdb PubChem SID 249565617
PubChem CID 23643976
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