General Information of the Compound
| Compound ID |
CP0491375
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| Compound Name |
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
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| Structure |
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| Formula |
C31H40N6O2
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| Molecular Weight |
528.701
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| Canonical SMILES |
CN1CCC(CC1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C31H40N6O2/c1-33-15-13-26(14-16-33)34-19-21-36(22-20-34)30(38)25-11-17-35(18-12-25)31(39)29-32-27-9-5-6-10-28(27)37(29)23-24-7-3-2-4-8-24/h2-10,25-26H,11-23H2,1H3
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| InChIKey |
ZBCHGVJFUSYOMJ-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