General Information of the Compound
| Compound ID |
CP0572735
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| Compound Name |
6-[[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-piperidin-1-ylpyridine-2-carbonyl]amino]phenoxy]methyl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C44H53N7O8
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| Molecular Weight |
807.949
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(OCc2ccc(cn2)C(O)=O)cc1)N1CCCCC1
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| InChI |
InChI=1S/C44H53N7O8/c1-4-35(5-2)51(25-24-49(3)39(52)20-21-40(53)54)28-30-10-9-11-31(26-30)42(55)47-37-18-19-38(50-22-7-6-8-23-50)48-41(37)43(56)46-33-14-16-36(17-15-33)59-29-34-13-12-32(27-45-34)44(57)58/h9-19,26-27,35H,4-8,20-25,28-29H2,1-3H3,(H,46,56)(H,47,55)(H,53,54)(H,57,58)
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| InChIKey |
LCYBHPNSLOMEAD-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