General Information of the Compound
| Compound ID |
CP0541889
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| Compound Name |
1-benzyl-N-[2-[methyl-[[4-(1H-pyrazol-5-yl)phenyl]methyl]amino]-2-oxoethyl]benzimidazole-2-carboxamide
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| Structure |
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| Formula |
C28H26N6O2
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| Molecular Weight |
478.556
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| Canonical SMILES |
CN(Cc1ccc(cc1)-c1cc[nH]n1)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C28H26N6O2/c1-33(18-21-11-13-22(14-12-21)23-15-16-30-32-23)26(35)17-29-28(36)27-31-24-9-5-6-10-25(24)34(27)19-20-7-3-2-4-8-20/h2-16H,17-19H2,1H3,(H,29,36)(H,30,32)
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| InChIKey |
TXTAZTVMAUOMRJ-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