General Information of the Compound
| Compound ID |
CP0101469
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| Compound Name |
(2S)-N-[(1S)-5-chloro-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-1-(4-cyanopyridin-2-yl)-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H25ClF3N5O3
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| Molecular Weight |
608.02
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| Canonical SMILES |
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2cc(Cl)ccc12)C(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C31H25ClF3N5O3/c32-20-4-5-24-19(13-20)8-10-31(24,29(43)38-22-15-30(34,35)16-22)40(23-3-1-2-21(33)14-23)28(42)25-6-7-27(41)39(25)26-12-18(17-36)9-11-37-26/h1-5,9,11-14,22,25H,6-8,10,15-16H2,(H,38,43)/t25-,31-/m0/s1
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| InChIKey |
BZJCZDVCLIWRFK-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