General Information of the Compound
| Compound ID |
CP0479281
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| Compound Name |
4-(4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)butanoic 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 |
OC(=O)CCCNC(=O)c1ccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C29H23F6N3O5/c30-28(31,32)42-22-11-7-19(8-12-22)24-16-25(20-9-13-23(14-10-20)43-29(33,34)35)38(37-24)17-18-3-5-21(6-4-18)27(41)36-15-1-2-26(39)40/h3-14,16H,1-2,15,17H2,(H,36,41)(H,39,40)
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| InChIKey |
LORODLFSXFMEIM-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