General Information of the Compound
| Compound ID |
CP0688178
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| Compound Name |
2-(4-Chlorophenyl)-6-{[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl}-5-(2-methylphenyl)[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C27H29ClN4O2S
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| Molecular Weight |
509.075
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| Canonical SMILES |
COCCN1CCC[C@@H](Cn2c(-c3ccccc3C)nc3nc(-c4ccc(Cl)cc4)sc3c2=O)C1
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| InChI |
InChI=1S/C27H29ClN4O2S/c1-18-6-3-4-8-22(18)25-29-24-23(35-26(30-24)20-9-11-21(28)12-10-20)27(33)32(25)17-19-7-5-13-31(16-19)14-15-34-2/h3-4,6,8-12,19H,5,7,13-17H2,1-2H3/t19-/m1/s1
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| InChIKey |
CECBMNBUQKXZCK-LJQANCHMSA-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