General Information of the Compound
| Compound ID |
CP0239174
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| Compound Name |
(2S)-1-(4-cyanopyrimidin-2-yl)-N-[(1S)-1-[(3,3-difluorocyclobutyl)carbamoyl]-2,3-dihydroinden-1-yl]-N-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C30H24F4N6O3
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| Molecular Weight |
592.553
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| Canonical SMILES |
Fc1cc(F)cc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1nccc(n1)C#N)[C@]1(CCc2ccccc12)C(=O)NC1CC(F)(F)C1
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| InChI |
InChI=1S/C30H24F4N6O3/c31-18-11-19(32)13-22(12-18)40(26(42)24-5-6-25(41)39(24)28-36-10-8-20(16-35)38-28)30(9-7-17-3-1-2-4-23(17)30)27(43)37-21-14-29(33,34)15-21/h1-4,8,10-13,21,24H,5-7,9,14-15H2,(H,37,43)/t24-,30-/m0/s1
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| InChIKey |
XEMDRLXRJOVYGU-NGQVCNFZSA-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