General Information of the Compound
| Compound ID |
CP0570309
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| Compound Name |
(2S,6R)-4-[6-(6-methoxypyridin-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
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| Structure |
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| Formula |
C22H27N5O3S
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| Molecular Weight |
441.557
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| Canonical SMILES |
COc1ccc(cn1)-c1cc2nc(nc(N3CCOCC3)c2s1)N1C[C@H](C)O[C@H](C)C1
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| InChI |
InChI=1S/C22H27N5O3S/c1-14-12-27(13-15(2)30-14)22-24-17-10-18(16-4-5-19(28-3)23-11-16)31-20(17)21(25-22)26-6-8-29-9-7-26/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3/t14-,15+
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| InChIKey |
QXCFZAXKERMQIV-GASCZTMLSA-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