General Information of the Compound
| Compound ID |
CP0387951
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| Compound Name |
1-(1-Benzyl-1H-benzoimidazole-2-carbonyl)-piperidine-4-carboxylic acid [4-(4,5-dihydro-1H-imidazol-2-yl)-benzyl]-methyl-amide
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| Structure |
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| Formula |
C32H34N6O2
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| Molecular Weight |
534.664
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| Canonical SMILES |
CN(Cc1ccc(cc1)C1=NCCN1)C(=O)C1CCN(CC1)C(=O)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C32H34N6O2/c1-36(21-24-11-13-25(14-12-24)29-33-17-18-34-29)31(39)26-15-19-37(20-16-26)32(40)30-35-27-9-5-6-10-28(27)38(30)22-23-7-3-2-4-8-23/h2-14,26H,15-22H2,1H3,(H,33,34)
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| InChIKey |
WWWSJUJRVKJWBV-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