SY-5609   Click here for help

GtoPdb Ligand ID: 11841

Synonyms: SY-0005609 | SY5609
Compound class: Synthetic organic
Comment: SY-5609 is an orally bioavailable inhibitor of CDK7 that was designed for anti-cancer potential [1]. It is a derivative of mevociclib (SY-1365).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 116.3
Molecular weight 490.19
XLogP 4.48
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1ccc2c(c1P(=O)(C)C)[nH]cc2c1nc(ncc1C(F)(F)F)N[C@H]1CCC(NC1)(C)C
Isomeric SMILES CC1(C)CC[C@H](Nc2ncc(c(c3c[nH]c4c3ccc(C#N)c4P(=O)(C)C)n2)C(F)(F)F)CN1
InChI InChI=1S/C23H26F3N6OP/c1-22(2)8-7-14(10-30-22)31-21-29-12-17(23(24,25)26)18(32-21)16-11-28-19-15(16)6-5-13(9-27)20(19)34(3,4)33/h5-6,11-12,14,28,30H,7-8,10H2,1-4H3,(H,29,31,32)/t14-/m0/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
SY-0005609 | SY5609
Database Links Click here for help
GtoPdb PubChem SID 461663397
PubChem CID 146662729
Search Google for chemical match using the InChIKey JDJOUBVVSQDIRC-AWEZNQCLSA-N
Search Google for chemicals with the same backbone JDJOUBVVSQDIRC
UniChem Compound Search for chemical match using the InChIKey JDJOUBVVSQDIRC-AWEZNQCLSA-N
UniChem Connectivity Search for chemical match using the InChIKey JDJOUBVVSQDIRC-AWEZNQCLSA-N