General Information of the Compound
| Compound ID |
CP0542259
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| Compound Name |
3-[[4-[1-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C35H41N3O3
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| Molecular Weight |
551.731
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1ccc2n(ncc2c1)C(CC1CCCCC1)c1ccc(cc1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C35H41N3O3/c1-35(2,3)30-16-13-25(14-17-30)28-15-18-31-29(22-28)23-37-38(31)32(21-24-7-5-4-6-8-24)26-9-11-27(12-10-26)34(41)36-20-19-33(39)40/h9-18,22-24,32H,4-8,19-21H2,1-3H3,(H,36,41)(H,39,40)
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| InChIKey |
AOYSALLRSAQXLS-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