General Information of the Compound
| Compound ID |
CP0496124
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| Compound Name |
3-[[4-[2-[1-(4-tert-butylphenyl)-5-chloroindole-2-carbonyl]pentyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H37ClN2O4
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| Molecular Weight |
573.133
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| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C34H37ClN2O4/c1-5-6-24(19-22-7-9-23(10-8-22)33(41)36-18-17-31(38)39)32(40)30-21-25-20-27(35)13-16-29(25)37(30)28-14-11-26(12-15-28)34(2,3)4/h7-16,20-21,24H,5-6,17-19H2,1-4H3,(H,36,41)(H,38,39)
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| InChIKey |
ASNLEFCYIJEHPP-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