General Information of the Compound
| Compound ID |
CP0349878
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| Compound Name |
(2S)-1-(4-cyanopyridin-2-yl)-N-[(1S)-1-[(4,4-difluorocyclohexyl)methylcarbamoyl]-2,3-dihydroinden-1-yl]-N-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H32F3N5O3
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| Molecular Weight |
615.656
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| Canonical SMILES |
Fc1cccc(c1)N(C(=O)[C@@H]1CCC(=O)N1c1cc(ccn1)C#N)[C@]1(CCc2ccccc12)C(=O)NCC1CCC(F)(F)CC1
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| InChI |
InChI=1S/C34H32F3N5O3/c35-25-5-3-6-26(19-25)42(31(44)28-8-9-30(43)41(28)29-18-23(20-38)13-17-39-29)34(16-12-24-4-1-2-7-27(24)34)32(45)40-21-22-10-14-33(36,37)15-11-22/h1-7,13,17-19,22,28H,8-12,14-16,21H2,(H,40,45)/t28-,34-/m0/s1
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| InChIKey |
BOLBDXIXEYJTNL-GVYVVWIYSA-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