General Information of the Compound
| Compound ID |
CP0442433
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| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-phenylpiperidin-1-yl)methyl]-1-benzothien-5-yl}thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C32H26ClN3OS2
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| Molecular Weight |
568.167
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc2ncn(-c3ccc4sc(CN5CCC(CC5)c5ccccc5)cc4c3)c(=O)c2s1
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| InChI |
InChI=1S/C32H26ClN3OS2/c33-25-8-6-23(7-9-25)30-18-28-31(39-30)32(37)36(20-34-28)26-10-11-29-24(16-26)17-27(38-29)19-35-14-12-22(13-15-35)21-4-2-1-3-5-21/h1-11,16-18,20,22H,12-15,19H2
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| InChIKey |
NRMDDYSFIYWXTP-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