General Information of the Compound
| Compound ID |
CP0947420
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| Compound Name |
N-(3-(1-(4-(1-(4-fluorophenyl)-1H-benzo[d]imidazole-2-carbonyl)-2-(trifluoromethyl)benzyl)piperidin-4-yl)phenyl)acetamide
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| Structure |
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| Formula |
C35H30F4N4O2
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| Molecular Weight |
614.643
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| Canonical SMILES |
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc5ccccc5n4-c4ccc(F)cc4)cc3C(F)(F)F)CC2)c1
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| InChI |
InChI=1S/C35H30F4N4O2/c1-22(44)40-28-6-4-5-24(19-28)23-15-17-42(18-16-23)21-26-10-9-25(20-30(26)35(37,38)39)33(45)34-41-31-7-2-3-8-32(31)43(34)29-13-11-27(36)12-14-29/h2-14,19-20,23H,15-18,21H2,1H3,(H,40,44)
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| InChIKey |
QOZMPMPIYLYDRE-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