General Information of the Compound
| Compound ID |
CP0568559
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| Compound Name |
4-[[[2-chloro-5-(2-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
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| Structure |
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| Formula |
C19H13Cl2N3OS
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| Molecular Weight |
402.306
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| Canonical SMILES |
Oc1ccc(CNc2nc(Cl)nc3scc(-c4ccccc4Cl)c23)cc1
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| InChI |
InChI=1S/C19H13Cl2N3OS/c20-15-4-2-1-3-13(15)14-10-26-18-16(14)17(23-19(21)24-18)22-9-11-5-7-12(25)8-6-11/h1-8,10,25H,9H2,(H,22,23,24)
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| InChIKey |
FIVUWNLPJKZWSS-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