General Information of the Compound
| Compound ID |
CP0573195
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-chloropyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C41H46ClN5O7
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| Molecular Weight |
756.3
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(Cl)nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C41H46ClN5O7/c1-4-33(5-2)47(24-23-46(3)36(48)21-22-37(49)50)26-29-7-6-8-31(25-29)39(51)44-34-19-20-35(42)45-38(34)40(52)43-32-17-13-28(14-18-32)10-9-27-11-15-30(16-12-27)41(53)54/h6-8,11-20,25,33H,4-5,9-10,21-24,26H2,1-3H3,(H,43,52)(H,44,51)(H,49,50)(H,53,54)
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| InChIKey |
RXBFFBVMKDRQKI-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