General Information of the Compound
| Compound ID |
CP0562084
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| Compound Name |
1-(4-chlorophenyl)-2-[4-(4-morpholin-4-ylanilino)pyrimidin-2-yl]sulfanylethanone
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| Structure |
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| Formula |
C22H21ClN4O2S
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| Molecular Weight |
440.956
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
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| InChI |
InChI=1S/C22H21ClN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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| InChIKey |
DSTPVSORNKULJF-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