General Information of the Compound
| Compound ID |
CP0536630
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| Compound Name |
[4-(2,5-dichlorophenoxy)-2-methylsulfanylpyrimidin-5-yl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C20H16Cl2N4O2S
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| Molecular Weight |
447.347
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| Canonical SMILES |
CSc1ncc(C(=O)N2CCNc3ccccc23)c(Oc2cc(Cl)ccc2Cl)n1
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| InChI |
InChI=1S/C20H16Cl2N4O2S/c1-29-20-24-11-13(18(25-20)28-17-10-12(21)6-7-14(17)22)19(27)26-9-8-23-15-4-2-3-5-16(15)26/h2-7,10-11,23H,8-9H2,1H3
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| InChIKey |
IIBFXETTWRYCRP-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