General Information of the Compound
| Compound ID |
CP0547784
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| Compound Name |
[2-[4-fluoro-3-(trifluoromethyl)anilino]-4-pyridin-4-yl-1,3-thiazol-5-yl]methanol
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| Synonyms |
Alpha-7 nicotinic acetylcholine receptor modulator (cognitive disorder), Johnson & Johnson
JNJ-1930942
JNJ-41512549
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| Structure |
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| Formula |
C16H11F4N3OS
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| Molecular Weight |
369.343
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| Canonical SMILES |
OCc1sc(Nc2ccc(F)c(c2)C(F)(F)F)nc1-c1ccncc1
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| InChI |
InChI=1S/C16H11F4N3OS/c17-12-2-1-10(7-11(12)16(18,19)20)22-15-23-14(13(8-24)25-15)9-3-5-21-6-4-9/h1-7,24H,8H2,(H,22,23)
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| InChIKey |
JBSVHWCIKVSTTH-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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Clinical Information about the Compound