General Information of the Compound
| Compound ID |
CP0522831
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| Compound Name |
3-(6-{[(2-methoxyethyl)(methyl)amino]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenol
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| Structure |
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| Formula |
C21H26N4O3S
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| Molecular Weight |
414.531
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| Canonical SMILES |
COCCN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
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| InChI |
InChI=1S/C21H26N4O3S/c1-24(6-9-27-2)14-17-13-18-19(29-17)21(25-7-10-28-11-8-25)23-20(22-18)15-4-3-5-16(26)12-15/h3-5,12-13,26H,6-11,14H2,1-2H3
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| InChIKey |
HAUSIZJQROQUOS-UHFFFAOYSA-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