General Information of the Compound
| Compound ID |
CP0965220
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| Compound Name |
rac-6-(4-Chlorophenyl)-3-((1-isopropylpiperidin-3-yl)methyl)-2-o-tolylthieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C28H30ClN3OS
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| Molecular Weight |
492.088
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| Canonical SMILES |
Cc1ccccc1-c1nc2cc(-c3ccc(Cl)cc3)sc2c(=O)n1CC1CCCN(C(C)C)C1
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| InChI |
InChI=1S/C28H30ClN3OS/c1-18(2)31-14-6-8-20(16-31)17-32-27(23-9-5-4-7-19(23)3)30-24-15-25(34-26(24)28(32)33)21-10-12-22(29)13-11-21/h4-5,7,9-13,15,18,20H,6,8,14,16-17H2,1-3H3
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| InChIKey |
POXYETRFHYMEPQ-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