General Information of the Compound
| Compound ID |
CP0959333
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| Compound Name |
(S)-2-(bis(2-fluorophenyl)(hydroxy)methyl)-N-(1-ethyl-6-oxopiperidin-3-yl)-1-methyl-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C29H28F2N4O3
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| Molecular Weight |
518.564
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| Canonical SMILES |
CCN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)CCC1=O
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| InChI |
InChI=1S/C29H28F2N4O3/c1-3-35-17-19(13-15-26(35)36)32-27(37)18-12-14-24-25(16-18)34(2)28(33-24)29(38,20-8-4-6-10-22(20)30)21-9-5-7-11-23(21)31/h4-12,14,16,19,38H,3,13,15,17H2,1-2H3,(H,32,37)/t19-/m0/s1
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| InChIKey |
CVQVNGLJRVYAAY-IBGZPJMESA-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