General Information of the Compound
| Compound ID |
CP0553761
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| Compound Name |
(2R,6S)-2,6-dimethyl-4-[7-methyl-4-morpholin-4-yl-6-(1H-pyrazol-5-yl)thieno[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(-c3ccn[nH]3)c(C)c2n1
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| InChI |
InChI=1S/C20H26N6O2S/c1-12-10-26(11-13(2)28-12)20-22-16-14(3)17(15-4-5-21-24-15)29-18(16)19(23-20)25-6-8-27-9-7-25/h4-5,12-13H,6-11H2,1-3H3,(H,21,24)/t12-,13+
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| InChIKey |
XDZQUDSFDVBLAQ-BETUJISGSA-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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Map of Molecular Bioactivity Related to the Compound
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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