General Information of the Compound
| Compound ID |
CP0578297
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| Compound Name |
4-[[4-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C27H21F3N6O2
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| Molecular Weight |
518.499
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1ccc(cn1)C(=O)N1CCN(Cc2ccc(cc2)C#N)CC1
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| InChI |
InChI=1S/C27H21F3N6O2/c28-27(29,30)22-8-5-20(6-9-22)24-33-25(38-34-24)23-10-7-21(16-32-23)26(37)36-13-11-35(12-14-36)17-19-3-1-18(15-31)2-4-19/h1-10,16H,11-14,17H2
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| InChIKey |
JCHPCYGJFBKVFG-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