General Information of the Compound
| Compound ID |
CP0476533
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| Compound Name |
(2R,6S)-4-[6-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-2,6-dimethylmorpholine
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| Structure |
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| Formula |
C23H26N6O2S
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| Molecular Weight |
450.568
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cccc2[nH]ncc12
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| InChI |
InChI=1S/C23H26N6O2S/c1-14-12-29(13-15(2)31-14)23-25-19-10-20(16-4-3-5-18-17(16)11-24-27-18)32-21(19)22(26-23)28-6-8-30-9-7-28/h3-5,10-11,14-15H,6-9,12-13H2,1-2H3,(H,24,27)/t14-,15+
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| InChIKey |
YEUPVQPLTSXRKA-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