General Information of the Compound
| Compound ID |
CP0537891
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| Compound Name |
6-[4-(1,1-dimethylethyl)phenyl]-3-[2-(4-morpholinylmethyl)-6-quinolinyl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C30H30N4O2S
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| Molecular Weight |
510.663
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCOCC5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C30H30N4O2S/c1-30(2,3)22-7-4-20(5-8-22)27-17-26-28(37-27)29(35)34(19-31-26)24-10-11-25-21(16-24)6-9-23(32-25)18-33-12-14-36-15-13-33/h4-11,16-17,19H,12-15,18H2,1-3H3
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| InChIKey |
WBOXTZAPRORPKG-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