General Information of the Compound
| Compound ID |
CP0522120
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| Compound Name |
3-(4-((1-cyclohexyl-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-yl)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C27H28F3N3O4
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| Molecular Weight |
515.532
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cc2cc(nn2C2CCCCC2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C27H28F3N3O4/c28-27(29,30)37-23-12-10-19(11-13-23)24-17-22(33(32-24)21-4-2-1-3-5-21)16-18-6-8-20(9-7-18)26(36)31-15-14-25(34)35/h6-13,17,21H,1-5,14-16H2,(H,31,36)(H,34,35)
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| InChIKey |
XGQZZOMVBFUZNM-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