General Information of the Compound
| Compound ID |
CP0488404
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| Compound Name |
3-[[4-[2-[5-chloro-1-(3-fluorophenyl)indole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H28ClFN2O4
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| Molecular Weight |
535.015
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1
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| InChI |
InChI=1S/C30H28ClFN2O4/c1-2-4-21(15-19-7-9-20(10-8-19)30(38)33-14-13-28(35)36)29(37)27-17-22-16-23(31)11-12-26(22)34(27)25-6-3-5-24(32)18-25/h3,5-12,16-18,21H,2,4,13-15H2,1H3,(H,33,38)(H,35,36)
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| InChIKey |
VCKLKUUEQQEJHF-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