General Information of the Compound
| Compound ID |
CP0572943
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| Compound Name |
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C27H24F3N5O2
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| Molecular Weight |
507.516
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| Canonical SMILES |
Cc1ccc(CN2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C27H24F3N5O2/c1-18-2-4-19(5-3-18)17-34-12-14-35(15-13-34)26(36)21-8-11-23(31-16-21)25-32-24(33-37-25)20-6-9-22(10-7-20)27(28,29)30/h2-11,16H,12-15,17H2,1H3
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| InChIKey |
IDKQPABEUKOSHS-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