General Information of the Compound
| Compound ID |
CP0476906
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| Compound Name |
[3-(2,5-dichlorophenoxy)pyridin-2-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
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| Structure |
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| Formula |
C21H16Cl2N2O2
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| Molecular Weight |
399.277
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| Canonical SMILES |
Clc1ccc(Cl)c(Oc2cccnc2C(=O)N2CCCc3ccccc23)c1
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| InChI |
InChI=1S/C21H16Cl2N2O2/c22-15-9-10-16(23)19(13-15)27-18-8-3-11-24-20(18)21(26)25-12-4-6-14-5-1-2-7-17(14)25/h1-3,5,7-11,13H,4,6,12H2
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| InChIKey |
OEHSGBSQRKGCJQ-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