General Information of the Compound
| Compound ID |
CP0522179
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| Compound Name |
3-[[4-[2-[5-chloro-1-(3,5-dichlorophenyl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H27Cl3N2O4
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| Molecular Weight |
585.915
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C30H27Cl3N2O4/c1-2-3-20(12-18-4-6-19(7-5-18)30(39)34-11-10-28(36)37)29(38)27-14-21-13-22(31)8-9-26(21)35(27)25-16-23(32)15-24(33)17-25/h4-9,13-17,20H,2-3,10-12H2,1H3,(H,34,39)(H,36,37)
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| InChIKey |
QSWOAJPLPBXEMV-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