General Information of the Compound
| Compound ID |
CP0495421
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| Compound Name |
[4-(trifluoromethoxy)phenyl]-[4-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C27H19F6N5O4
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| Molecular Weight |
591.468
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccc(nc1)-c1nc(no1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H19F6N5O4/c28-26(29,30)19-6-1-16(2-7-19)22-35-23(42-36-22)21-10-5-18(15-34-21)25(40)38-13-11-37(12-14-38)24(39)17-3-8-20(9-4-17)41-27(31,32)33/h1-10,15H,11-14H2
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| InChIKey |
ZTQSZCULJCIUCM-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