General Information of the Compound
| Compound ID |
CP0400801
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| Compound Name |
(6-(2-chlorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C19H22ClN3O2
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| Molecular Weight |
359.857
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc(Oc2ccccc2Cl)nc1
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| InChI |
InChI=1S/C19H22ClN3O2/c1-14(2)22-9-11-23(12-10-22)19(24)15-7-8-18(21-13-15)25-17-6-4-3-5-16(17)20/h3-8,13-14H,9-12H2,1-2H3
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| InChIKey |
ZPSZTRJCIUSPSL-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