General Information of the Compound
| Compound ID |
CP0439152
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| Compound Name |
4-(((4-tert-butylphenyl)(1-methyl-1H-benzo[d]imidazol-2-yl)amino)methyl)-N-(1H-tetrazol-5-yl)benzamide
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| Structure |
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| Formula |
C27H28N8O
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| Molecular Weight |
480.576
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| Canonical SMILES |
Cn1c(nc2ccccc12)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C27H28N8O/c1-27(2,3)20-13-15-21(16-14-20)35(26-28-22-7-5-6-8-23(22)34(26)4)17-18-9-11-19(12-10-18)24(36)29-25-30-32-33-31-25/h5-16H,17H2,1-4H3,(H2,29,30,31,32,33,36)
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| InChIKey |
PQWFMLLNMPZMAX-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