General Information of the Compound
| Compound ID |
CP0546673
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| Compound Name |
4-[[(2-chloro-5-cyclohexylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]phenol
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| Structure |
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| Formula |
C19H20ClN3OS
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| Molecular Weight |
373.909
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| Canonical SMILES |
Oc1ccc(CNc2nc(Cl)nc3scc(C4CCCCC4)c23)cc1
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| InChI |
InChI=1S/C19H20ClN3OS/c20-19-22-17(21-10-12-6-8-14(24)9-7-12)16-15(11-25-18(16)23-19)13-4-2-1-3-5-13/h6-9,11,13,24H,1-5,10H2,(H,21,22,23)
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| InChIKey |
GOIYSWNEUWLFOW-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