General Information of the Compound
| Compound ID |
CP0577505
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| Compound Name |
4-[[4-[[2-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-pentan-3-ylamino]methyl]benzoyl]amino]-1H-indole-3-carbonyl]amino]phenyl]methyl]benzoic acid
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| Structure |
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| Formula |
C43H47N5O7
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| Molecular Weight |
745.877
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| Canonical SMILES |
CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1[nH]c2ccccc2c1C(=O)Nc1ccc(Cc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C43H47N5O7/c1-4-34(5-2)48(24-23-47(3)37(49)21-22-38(50)51)27-30-9-8-10-32(26-30)41(52)46-40-39(35-11-6-7-12-36(35)45-40)42(53)44-33-19-15-29(16-20-33)25-28-13-17-31(18-14-28)43(54)55/h6-20,26,34,45H,4-5,21-25,27H2,1-3H3,(H,44,53)(H,46,52)(H,50,51)(H,54,55)
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| InChIKey |
QIEPTUGUTAVBAH-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