General Information of the Compound
| Compound ID |
CP0568700
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| Compound Name |
3-[[(2-chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
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| Formula |
C19H14ClN3OS
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| Molecular Weight |
367.861
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| Canonical SMILES |
Oc1cccc(CNc2nc(Cl)nc3scc(-c4ccccc4)c23)c1
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| InChI |
InChI=1S/C19H14ClN3OS/c20-19-22-17(21-10-12-5-4-8-14(24)9-12)16-15(11-25-18(16)23-19)13-6-2-1-3-7-13/h1-9,11,24H,10H2,(H,21,22,23)
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| InChIKey |
MSGBLTMRTAWJCK-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