General Information of the Compound
| Compound ID |
CP0572734
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-piperidin-1-ylpyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C46H56N6O7
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| Molecular Weight |
804.989
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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)N1CCCCC1
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| InChI |
InChI=1S/C46H56N6O7/c1-4-38(5-2)52(29-28-50(3)41(53)24-25-42(54)55)31-34-10-9-11-36(30-34)44(56)48-39-22-23-40(51-26-7-6-8-27-51)49-43(39)45(57)47-37-20-16-33(17-21-37)13-12-32-14-18-35(19-15-32)46(58)59/h9-11,14-23,30,38H,4-8,12-13,24-29,31H2,1-3H3,(H,47,57)(H,48,56)(H,54,55)(H,58,59)
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| InChIKey |
OXAFSYXDNOTPHO-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