General Information of the Compound
| Compound ID |
CP0506136
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| Compound Name |
(6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclopropyl-1,4-diazepan-1-yl)methanone
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| Structure |
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| Formula |
C20H22ClN3O2
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| Molecular Weight |
371.868
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| Canonical SMILES |
Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CC2)c1
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| InChI |
InChI=1S/C20H22ClN3O2/c21-16-3-1-4-18(13-16)26-19-8-5-15(14-22-19)20(25)24-10-2-9-23(11-12-24)17-6-7-17/h1,3-5,8,13-14,17H,2,6-7,9-12H2
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| InChIKey |
SASIOZSVIDJSAI-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
Protein ID: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor