General Information of the Compound
| Compound ID |
CP0198591
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| Compound Name |
N-[(1S)-1-(1,6-dimethylbenzimidazol-2-yl)-2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]-4-phenoxybenzamide
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| Structure |
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| Formula |
C33H38N4O3
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| Molecular Weight |
538.692
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| Canonical SMILES |
CC(C)C(=O)N1CCC(C[C@H](NC(=O)c2ccc(Oc3ccccc3)cc2)c2nc3ccc(C)cc3n2C)CC1
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| InChI |
InChI=1S/C33H38N4O3/c1-22(2)33(39)37-18-16-24(17-19-37)21-29(31-34-28-15-10-23(3)20-30(28)36(31)4)35-32(38)25-11-13-27(14-12-25)40-26-8-6-5-7-9-26/h5-15,20,22,24,29H,16-19,21H2,1-4H3,(H,35,38)/t29-/m0/s1
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| InChIKey |
MNNMQOOROBIVFX-LJAQVGFWSA-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