General Information of the Compound
| Compound ID |
CP0373345
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| Compound Name |
3-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C28H21F6N3O5
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| Molecular Weight |
593.48
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| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C28H21F6N3O5/c29-27(30,31)41-21-9-5-18(6-10-21)23-15-24(19-7-11-22(12-8-19)42-28(32,33)34)37(36-23)16-17-1-3-20(4-2-17)26(40)35-14-13-25(38)39/h1-12,15H,13-14,16H2,(H,35,40)(H,38,39)
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| InChIKey |
YUOWWVPIFXECSZ-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