General Information of the Compound
| Compound ID |
CP0383902
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| Compound Name |
3-[[4-[1-[5-(6-methoxynaphthalen-2-yl)-4-methyl-3-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H30F3N3O4
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| Molecular Weight |
601.625
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1c(C)c(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C34H30F3N3O4/c1-20-31(28-6-4-5-7-29(28)34(35,36)37)39-40(32(20)26-13-12-25-19-27(44-3)15-14-24(25)18-26)21(2)22-8-10-23(11-9-22)33(43)38-17-16-30(41)42/h4-15,18-19,21H,16-17H2,1-3H3,(H,38,43)(H,41,42)
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| InChIKey |
GPGNPHHMEXHDSF-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