General Information of the Compound
| Compound ID |
CP0530271
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)indol-1-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H38N2O3
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| Molecular Weight |
510.678
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ccc2cc(ccc12)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C33H38N2O3/c1-22(2)20-30(24-6-8-25(9-7-24)32(38)34-18-16-31(36)37)35-19-17-27-21-26(12-15-29(27)35)23-10-13-28(14-11-23)33(3,4)5/h6-15,17,19,21-22,30H,16,18,20H2,1-5H3,(H,34,38)(H,36,37)
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| InChIKey |
YSZHTWUNLCMOTK-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