General Information of the Compound
| Compound ID |
CP0378511
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| Compound Name |
4-(3-((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)c1cccc(Cn2nc(cc2-c2ccc(OC(F)(F)F)cc2)-c2ccc(OC(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C29H23F6N3O5/c30-28(31,32)42-22-10-6-19(7-11-22)24-16-25(20-8-12-23(13-9-20)43-29(33,34)35)38(37-24)17-18-3-1-4-21(15-18)27(41)36-14-2-5-26(39)40/h1,3-4,6-13,15-16H,2,5,14,17H2,(H,36,41)(H,39,40)
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| InChIKey |
MKHWGNTWDZIVNA-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