General Information of the Compound
| Compound ID |
CP0560783
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)indazol-1-yl]-4-methylpentyl]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)CCC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C33H39N3O3/c1-22(2)6-16-29(24-7-9-25(10-8-24)32(39)34-19-18-31(37)38)36-30-17-13-26(20-27(30)21-35-36)23-11-14-28(15-12-23)33(3,4)5/h7-15,17,20-22,29H,6,16,18-19H2,1-5H3,(H,34,39)(H,37,38)
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| InChIKey |
TWFKFZNQRRVXJA-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