General Information of the Compound
| Compound ID |
CP0536356
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)-7-methylindazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H39N3O3
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| Molecular Weight |
525.693
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(cc(C)c2n1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C33H39N3O3/c1-21(2)17-29(24-7-9-25(10-8-24)32(39)34-16-15-30(37)38)36-20-27-19-26(18-22(3)31(27)35-36)23-11-13-28(14-12-23)33(4,5)6/h7-14,18-21,29H,15-17H2,1-6H3,(H,34,39)(H,37,38)
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| InChIKey |
FKJUUMGOEJALMN-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