General Information of the Compound
| Compound ID |
CP0010932
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| Compound Name |
5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H25N7O2S
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| Molecular Weight |
427.534
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C20H25N7O2S/c1-12-10-27(11-13(2)29-12)20-24-15-7-16(14-8-22-19(21)23-9-14)30-17(15)18(25-20)26-3-5-28-6-4-26/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,21,22,23)/t12-,13+
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| InChIKey |
XIGIJFUSWMTGMS-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