General Information of the Compound
| Compound ID |
CP0573196
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-morpholin-4-ylpyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C45H54N6O8
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| Molecular Weight |
806.961
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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)N1CCOCC1
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| InChI |
InChI=1S/C45H54N6O8/c1-4-37(5-2)51(24-23-49(3)40(52)21-22-41(53)54)30-33-7-6-8-35(29-33)43(55)47-38-19-20-39(50-25-27-59-28-26-50)48-42(38)44(56)46-36-17-13-32(14-18-36)10-9-31-11-15-34(16-12-31)45(57)58/h6-8,11-20,29,37H,4-5,9-10,21-28,30H2,1-3H3,(H,46,56)(H,47,55)(H,53,54)(H,57,58)
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| InChIKey |
JIQXDEBHIPISOT-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