General Information of the Compound
| Compound ID |
CP0572437
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| Compound Name |
4-[[(2-chloro-5-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
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| Structure |
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| Formula |
C16H16ClN3OS
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| Molecular Weight |
333.844
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| Canonical SMILES |
CC(C)c1csc2nc(Cl)nc(NCc3ccc(O)cc3)c12
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| InChI |
InChI=1S/C16H16ClN3OS/c1-9(2)12-8-22-15-13(12)14(19-16(17)20-15)18-7-10-3-5-11(21)6-4-10/h3-6,8-9,21H,7H2,1-2H3,(H,18,19,20)
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| InChIKey |
SBAPXTZIUQEPCC-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