General Information of the Compound
| Compound ID |
CP0708318
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| Compound Name |
N2-(3-fluorophenyl)-N4-isopropyl-6-(4-(trifluoromethyl)thiazol-2-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C16H14F4N6S
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| Molecular Weight |
398.389
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| Canonical SMILES |
CC(C)Nc1nc(Nc2cccc(F)c2)nc(-c2nc(C(F)(F)F)cs2)n1
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| InChI |
InChI=1S/C16H14F4N6S/c1-8(2)21-14-24-12(13-23-11(7-27-13)16(18,19)20)25-15(26-14)22-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H2,21,22,24,25,26)
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| InChIKey |
HUUVMRRBTGPHRV-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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