General Information of the Compound
| Compound ID |
CP0692360
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| Compound Name |
6-(4-Chlorophenyl)-3-{[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl}-2-(2-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C28H30ClN3O2S
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| Molecular Weight |
508.087
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| Canonical SMILES |
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3cc(-c4ccc(Cl)cc4)sc3c2=O)C1
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| InChI |
InChI=1S/C28H30ClN3O2S/c1-19-6-3-4-8-23(19)27-30-24-16-25(21-9-11-22(29)12-10-21)35-26(24)28(33)32(27)18-20-7-5-13-31(17-20)14-15-34-2/h3-4,6,8-12,16,20H,5,7,13-15,17-18H2,1-2H3/t20-/m1/s1
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| InChIKey |
AHVNWELDVAWIPM-HXUWFJFHSA-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