General Information of the Compound
| Compound ID |
CP0462346
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| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-phenyl-1-piperazinyl)methyl]-6-quinolinyl}thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C32H26ClN5OS
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| Molecular Weight |
564.114
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4nc(CN5CCN(CC5)c5ccccc5)ccc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C32H26ClN5OS/c33-24-9-6-22(7-10-24)30-19-29-31(40-30)32(39)38(21-34-29)27-12-13-28-23(18-27)8-11-25(35-28)20-36-14-16-37(17-15-36)26-4-2-1-3-5-26/h1-13,18-19,21H,14-17,20H2
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| InChIKey |
CSIWZRJTSWJCKM-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