General Information of the Compound
| Compound ID |
CP0555918
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| Compound Name |
2-[6-(4-morpholin-4-ylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid
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| Formula |
C18H17N3O3S2
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| Molecular Weight |
387.486
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| Canonical SMILES |
OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C18H17N3O3S2/c22-16(23)10-25-18-17-14(19-11-20-18)9-15(26-17)12-1-3-13(4-2-12)21-5-7-24-8-6-21/h1-4,9,11H,5-8,10H2,(H,22,23)
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| InChIKey |
YVTPTPXZZPLFIC-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