General Information of the Compound
| Compound ID |
CP0946764
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| Compound Name |
(S)-2-(bis(2-fluorophenyl)(hydroxy)methyl)-1-methyl-N-(1-methyl-6-oxopiperidin-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H26F2N4O3
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| Molecular Weight |
504.537
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| Canonical SMILES |
CN1C[C@@H](NC(=O)c2ccc3nc(C(O)(c4ccccc4F)c4ccccc4F)n(C)c3c2)CCC1=O
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| InChI |
InChI=1S/C28H26F2N4O3/c1-33-16-18(12-14-25(33)35)31-26(36)17-11-13-23-24(15-17)34(2)27(32-23)28(37,19-7-3-5-9-21(19)29)20-8-4-6-10-22(20)30/h3-11,13,15,18,37H,12,14,16H2,1-2H3,(H,31,36)/t18-/m0/s1
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| InChIKey |
DCFSSBOPGHNCTR-SFHVURJKSA-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