General Information of the Compound
| Compound ID |
CP0572733
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| Compound Name |
4-[2-[4-[[3-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-6-methoxypyridine-2-carbonyl]amino]phenyl]ethyl]benzoic acid
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| Structure |
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| Formula |
C42H49N5O8
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| Molecular Weight |
751.881
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1ccc(OC)nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C42H49N5O8/c1-5-34(6-2)47(25-24-46(3)37(48)22-23-38(49)50)27-30-8-7-9-32(26-30)40(51)44-35-20-21-36(55-4)45-39(35)41(52)43-33-18-14-29(15-19-33)11-10-28-12-16-31(17-13-28)42(53)54/h7-9,12-21,26,34H,5-6,10-11,22-25,27H2,1-4H3,(H,43,52)(H,44,51)(H,49,50)(H,53,54)
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| InChIKey |
TXFAJJHXVQBGRK-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