General Information of the Compound
| Compound ID |
CP0478586
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| Compound Name |
3-(4-(1-(3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)ethyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C29H23F6N3O5
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| Molecular Weight |
607.507
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(cc1-c1ccc(OC(F)(F)F)cc1)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C29H23F6N3O5/c1-17(18-2-4-21(5-3-18)27(41)36-15-14-26(39)40)38-25(20-8-12-23(13-9-20)43-29(33,34)35)16-24(37-38)19-6-10-22(11-7-19)42-28(30,31)32/h2-13,16-17H,14-15H2,1H3,(H,36,41)(H,39,40)
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| InChIKey |
SBJWFJAFNSJVJI-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