General Information of the Compound
| Compound ID |
CP0772047
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| Compound Name |
4'-[[6-(N-2-(4-methylpiperazin-1-yl)ethyl)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 |
C34H40N10O2
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| Molecular Weight |
620.762
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| Canonical SMILES |
CCCc1nc2c(C)cc(C(=O)NCCN3CCN(C)CC3)cc2n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[nH]2)cc1
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| InChI |
InChI=1S/C34H40N10O2/c1-4-7-30-36-31-23(2)20-26(32(45)35-14-15-43-18-16-42(3)17-19-43)21-29(31)44(30)22-24-10-12-25(13-11-24)27-8-5-6-9-28(27)33(46)37-34-38-40-41-39-34/h5-6,8-13,20-21H,4,7,14-19,22H2,1-3H3,(H,35,45)(H2,37,38,39,40,41,46)
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| InChIKey |
PWIKVWDNLUERHL-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