General Information of the Compound
| Compound ID |
CP0413823
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| Compound Name |
[4-(2,5-dichlorophenoxy)pyrimidin-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
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| Structure |
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| Formula |
C20H15Cl2N3O2
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| Molecular Weight |
400.265
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2ncncc2C(=O)N2CCCc3ccccc23)c1
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| InChI |
InChI=1S/C20H15Cl2N3O2/c21-14-7-8-16(22)18(10-14)27-19-15(11-23-12-24-19)20(26)25-9-3-5-13-4-1-2-6-17(13)25/h1-2,4,6-8,10-12H,3,5,9H2
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| InChIKey |
FGKIZYHSOOCLGM-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