General Information of the Compound
| Compound ID |
CP0456887
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| Compound Name |
7-methyl-N-[(1S)-1-phenylethyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
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| Structure |
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| Formula |
C34H33N7O
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| Molecular Weight |
555.686
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| Canonical SMILES |
CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)C(=O)N[C@@H](C)c1ccccc1
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| InChI |
InChI=1S/C34H33N7O/c1-4-10-31-36-32-22(2)19-27(34(42)35-23(3)25-11-6-5-7-12-25)20-30(32)41(31)21-24-15-17-26(18-16-24)28-13-8-9-14-29(28)33-37-39-40-38-33/h5-9,11-20,23H,4,10,21H2,1-3H3,(H,35,42)(H,37,38,39,40)/t23-/m0/s1
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| InChIKey |
JBQLJPNVSMAEBZ-QHCPKHFHSA-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