General Information of the Compound
| Compound ID |
CP0230612
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| Compound Name |
ethyl 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoate
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| Structure |
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| Formula |
C23H27ClN4O2S
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| Molecular Weight |
459.015
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| Canonical SMILES |
CCCCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
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| InChI |
InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)
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| InChIKey |
ORXHKXASVGJXOO-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: PT01242, Polyunsaturated fatty acid 5-lipoxygenase
Protein ID: PT02025, Prostaglandin E synthase