General Information of the Compound
| Compound ID |
CP0573197
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C46H57N7O7
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| Molecular Weight |
820.004
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C46H57N7O7/c1-5-38(6-2)53(29-26-51(4)41(54)22-23-42(55)56)31-34-8-7-9-36(30-34)44(57)48-39-20-21-40(52-27-24-50(3)25-28-52)49-43(39)45(58)47-37-18-14-33(15-19-37)11-10-32-12-16-35(17-13-32)46(59)60/h7-9,12-21,30,38H,5-6,10-11,22-29,31H2,1-4H3,(H,47,58)(H,48,57)(H,55,56)(H,59,60)
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| InChIKey |
MAOMWMXCAUOKMV-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