General Information of the Compound
| Compound ID |
CP0553745
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| Compound Name |
6-(4-chlorophenyl)-3-[6-(hydroxymethyl)-2-naphthalenyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C23H15ClN2O2S
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| Molecular Weight |
418.905
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| Canonical SMILES |
OCc1ccc2cc(ccc2c1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H15ClN2O2S/c24-18-6-3-15(4-7-18)21-11-20-22(29-21)23(28)26(13-25-20)19-8-5-16-9-14(12-27)1-2-17(16)10-19/h1-11,13,27H,12H2
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| InChIKey |
LGQRXFXMSKWBCD-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