General Information of the Compound
Compound ID |
CP0476534
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Compound Name |
(2S,6R)-2,6-dimethyl-4-[6-(2-methylpyrazol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]morpholine
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Structure |
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Formula |
C20H26N6O2S
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Molecular Weight |
414.535
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Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccnn1C
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InChI |
InChI=1S/C20H26N6O2S/c1-13-11-26(12-14(2)28-13)20-22-15-10-17(16-4-5-21-24(16)3)29-18(15)19(23-20)25-6-8-27-9-7-25/h4-5,10,13-14H,6-9,11-12H2,1-3H3/t13-,14+
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InChIKey |
SZQTVWKSEJRBCV-OKILXGFUSA-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 |
Map of Molecular Bioactivity Related to the Compound
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