General Information of the Compound
| Compound ID |
CP0577611
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| Compound Name |
4-[3-[4-[[2-[[3-[[2-[3-carboxypropanoyl(methyl)amino]ethyl-propan-2-ylamino]methyl]benzoyl]amino]-1H-indole-3-carbonyl]amino]phenyl]propyl]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 |
CC(C)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1[nH]c2ccccc2c1C(=O)Nc1ccc(CCCc2ccc(cc2)C(O)=O)cc1
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| InChI |
InChI=1S/C43H47N5O7/c1-28(2)48(25-24-47(3)37(49)22-23-38(50)51)27-31-10-7-11-33(26-31)41(52)46-40-39(35-12-4-5-13-36(35)45-40)42(53)44-34-20-16-30(17-21-34)9-6-8-29-14-18-32(19-15-29)43(54)55/h4-5,7,10-21,26,28,45H,6,8-9,22-25,27H2,1-3H3,(H,44,53)(H,46,52)(H,50,51)(H,54,55)
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| InChIKey |
YGIZHJAUWSDASO-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