General Information of the Compound
| Compound ID |
CP0574520
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| Compound Name |
4-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzene-1,2-diol
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| Structure |
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| Formula |
C19H14ClN3O2S
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| Molecular Weight |
383.86
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| Canonical SMILES |
Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)cc1O
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| InChI |
InChI=1S/C19H14ClN3O2S/c20-19-22-17(21-9-11-6-7-14(24)15(25)8-11)16-13(10-26-18(16)23-19)12-4-2-1-3-5-12/h1-8,10,24-25H,9H2,(H,21,22,23)
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| InChIKey |
AHKHIGSBDSMKAH-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