General Information of the Compound
| Compound ID |
CP0108500
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| Compound Name |
4-(2-chlorophenyl)sulfanyl-5-methoxy-2-pyridin-2-yl-pyrimidine
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| Structure |
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| Formula |
C16H12ClN3OS
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| Molecular Weight |
329.812
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| Canonical SMILES |
COc1cnc(nc1Sc1ccccc1Cl)-c1ccccn1
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| InChI |
InChI=1S/C16H12ClN3OS/c1-21-13-10-19-15(12-7-4-5-9-18-12)20-16(13)22-14-8-3-2-6-11(14)17/h2-10H,1H3
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| InChIKey |
CVUFZOYMERKZRC-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1