General Information of the Compound
| Compound ID |
CP0488405
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| Compound Name |
3-[[4-[2-[5-chloro-1-(3,5-dimethylphenyl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H33ClN2O4
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| Molecular Weight |
545.079
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C32H33ClN2O4/c1-4-5-24(17-22-6-8-23(9-7-22)32(39)34-13-12-30(36)37)31(38)29-19-25-18-26(33)10-11-28(25)35(29)27-15-20(2)14-21(3)16-27/h6-11,14-16,18-19,24H,4-5,12-13,17H2,1-3H3,(H,34,39)(H,36,37)
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| InChIKey |
YRJCEWMAXISNJN-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