General Information of the Compound
| Compound ID |
CP0532841
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| Compound Name |
1-benzyl-N-isopropyl-N-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)-2-oxoethyl)-1H-benzo[d]imidazole-2-carboxamide
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| Structure |
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| Formula |
C30H40N6O2
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| Molecular Weight |
516.69
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| Canonical SMILES |
CC(C)N(CC(=O)N1CCN(CC1)C1CCN(C)CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C30H40N6O2/c1-23(2)35(22-28(37)34-19-17-33(18-20-34)25-13-15-32(3)16-14-25)30(38)29-31-26-11-7-8-12-27(26)36(29)21-24-9-5-4-6-10-24/h4-12,23,25H,13-22H2,1-3H3
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| InChIKey |
OPQMHLKQNNIKBF-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