General Information of the Compound
| Compound ID |
CP0417142
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| Compound Name |
(6-(3,4-dichlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C19H21Cl2N3O2
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| Molecular Weight |
394.302
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)nc1
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| InChI |
InChI=1S/C19H21Cl2N3O2/c1-13(2)23-7-9-24(10-8-23)19(25)14-3-6-18(22-12-14)26-15-4-5-16(20)17(21)11-15/h3-6,11-13H,7-10H2,1-2H3
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| InChIKey |
CWVSGHVVKAFRPJ-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