General Information of the Compound
| Compound ID |
CP0430782
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| Compound Name |
(6-(3,4-dichlorophenoxy)pyridin-3-yl)(4-isopropyl-1,4-diazepan-1-yl)methanone
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| Structure |
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| Formula |
C20H23Cl2N3O2
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| Molecular Weight |
408.329
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| Canonical SMILES |
CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
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| InChI |
InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)15-4-7-19(23-13-15)27-16-5-6-17(21)18(22)12-16/h4-7,12-14H,3,8-11H2,1-2H3
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| InChIKey |
QSSSUQCOVXDUKG-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