CPI-203   Click here for help

GtoPdb Ligand ID: 7513

Synonyms: CPI 203 | CPI203
Compound class: Synthetic organic
Comment: CPI-203 is an amide analogue of (+)-JQ1. CPI-203 has anti-proliferative activity in cancer cells [2-3].
Online information suggests that CPI-203 is the same chemical structure as the clinical oncology candidate with research code TEN-010, however we cannot confirm or refute this until the structure of TEN-101 is formally disclosed in a peer reviewed article.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 113.88
Molecular weight 399.09
XLogP 4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)CC1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
Isomeric SMILES NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
InChI InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1
InChI Key QECMENZMDBOLDR-AWEZNQCLSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
CPI 203 | CPI203
Database Links Click here for help
CAS Registry No. 1446144-04-2 (source: Scifinder)
GtoPdb PubChem SID 187051815
PubChem CID 71291068
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Tocris
CPI 203
Cat. No. 5331