General Information of the Compound
| Compound ID |
CP0763797
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| Compound Name |
4'-[[6-(N-2-pyrrolidin-1-ylethyl)aminocarboxyl-4-methyl-2-n-propyl-1H-benzoimidazolyl]methyl]-[1,1'-biphenyl]-2-N-(1H-tetrazol-5-yl)amide
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| Structure |
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| Formula |
C33H37N9O2
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| Molecular Weight |
591.72
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCN3CCCC3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C33H37N9O2/c1-3-8-29-35-30-22(2)19-25(31(43)34-15-18-41-16-6-7-17-41)20-28(30)42(29)21-23-11-13-24(14-12-23)26-9-4-5-10-27(26)32(44)36-33-37-39-40-38-33/h4-5,9-14,19-20H,3,6-8,15-18,21H2,1-2H3,(H,34,43)(H2,36,37,38,39,40,44)
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| InChIKey |
LOILLKMLEXWOPH-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