General Information of the Compound
Compound ID |
CP0674930
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Compound Name |
(2S)-N1-[4-methyl-5-[2-[2,2,2-trideuterio-1,1-bis(trideuteriomethyl)ethyl]pyrimidin-4-yl]thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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Structure |
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Formula |
C18H24N6O2S
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Molecular Weight |
397.551916
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Canonical SMILES |
[2H]C([2H])([2H])C(c1nccc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)n1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
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InChI |
InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1/i2D3,3D3,4D3
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InChIKey |
LIWXQSMSAZJCQT-YILIJAPMSA-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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ChEMBL ID |