General Information of the Compound
| Compound ID |
CP0541324
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| Compound Name |
(2S)-N-[(1S)-4-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-1-(4-cyanopyridin-2-yl)-N-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H24ClF4N5O3
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| Molecular Weight |
626.01
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| Canonical SMILES |
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2c1cccc2Cl)C(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C31H24ClF4N5O3/c32-24-3-1-2-23-22(24)6-8-31(23,29(44)39-20-14-30(35,36)15-20)41(21-12-18(33)11-19(34)13-21)28(43)25-4-5-27(42)40(25)26-10-17(16-37)7-9-38-26/h1-3,7,9-13,20,25H,4-6,8,14-15H2,(H,39,44)/t25-,31-/m0/s1
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| InChIKey |
TYWUOWGOSPSFNP-FKAPRUDGSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound