General Information of the Compound
| Compound ID |
CP0536355
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H35N3O3
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| Molecular Weight |
497.639
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| Canonical SMILES |
CCCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C31H35N3O3/c1-5-6-27(22-7-9-23(10-8-22)30(37)32-18-17-29(35)36)34-28-16-13-24(19-25(28)20-33-34)21-11-14-26(15-12-21)31(2,3)4/h7-16,19-20,27H,5-6,17-18H2,1-4H3,(H,32,37)(H,35,36)
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| InChIKey |
OWYKIBVHACRAJN-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