General Information of the Compound
| Compound ID |
CP0550937
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)indazol-2-yl]-3-methylbutyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H37N3O3
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| Molecular Weight |
511.666
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1cc2cc(ccc2n1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C32H37N3O3/c1-21(2)18-29(23-6-8-24(9-7-23)31(38)33-17-16-30(36)37)35-20-26-19-25(12-15-28(26)34-35)22-10-13-27(14-11-22)32(3,4)5/h6-15,19-21,29H,16-18H2,1-5H3,(H,33,38)(H,36,37)
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| InChIKey |
YBPKNJUZOWKJKO-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