General Information of the Compound
| Compound ID |
CP0128130
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| Compound Name |
N-[1-(3-amino-3-oxopropyl)-5-[(4,4-difluorocyclohexanecarbonyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
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| Structure |
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| Formula |
C26H26F2N6O3
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| Molecular Weight |
508.529
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| Canonical SMILES |
CN(C(=O)C1CCC(F)(F)CC1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
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| InChI |
InChI=1S/C26H26F2N6O3/c1-33(24(37)18-8-11-26(27,28)12-9-18)19-6-7-21-20(14-19)31-25(34(21)13-10-22(30)35)32-23(36)17-4-2-16(15-29)3-5-17/h2-7,14,18H,8-13H2,1H3,(H2,30,35)(H,31,32,36)
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| InChIKey |
NVSGAXVEUPIOOQ-UHFFFAOYSA-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