General Information of the Compound
| Compound ID |
CP0441787
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| Compound Name |
[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C21H18Cl2N4O2
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| Molecular Weight |
429.307
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| Canonical SMILES |
CCN1CCN(C(=O)c2cncnc2Oc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C21H18Cl2N4O2/c1-2-26-9-10-27(18-6-4-3-5-17(18)26)21(28)15-12-24-13-25-20(15)29-19-11-14(22)7-8-16(19)23/h3-8,11-13H,2,9-10H2,1H3
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| InChIKey |
FMSAUEPWQMHYRL-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