General Information of the Compound
| Compound ID |
CP0078092
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| Compound Name |
(2S,3R)-3-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C20H24F3N5O2S
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| Molecular Weight |
455.506
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| Canonical SMILES |
C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C(F)(F)F
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| InChI |
InChI=1S/C20H24F3N5O2S/c1-10-6-8-28(14(10)16(24)29)18(30)27-17-26-11(2)15(31-17)12-5-7-25-13(9-12)19(3,4)20(21,22)23/h5,7,9-10,14H,6,8H2,1-4H3,(H2,24,29)(H,26,27,30)/t10-,14+/m1/s1
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| InChIKey |
WONIRTKRKLYVOD-YGRLFVJLSA-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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