General Information of the Compound
| Compound ID |
CP0772046
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| Compound Name |
4'-[(6-N-phenethylaminocarboxyl-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 |
C35H34N8O2
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| Molecular Weight |
598.711
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C35H34N8O2/c1-3-9-31-37-32-23(2)20-27(33(44)36-19-18-24-10-5-4-6-11-24)21-30(32)43(31)22-25-14-16-26(17-15-25)28-12-7-8-13-29(28)34(45)38-35-39-41-42-40-35/h4-8,10-17,20-21H,3,9,18-19,22H2,1-2H3,(H,36,44)(H2,38,39,40,41,42,45)
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| InChIKey |
XTHFKSGQJGECGR-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