General Information of the Compound
| Compound ID |
CP0408471
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| Compound Name |
(E)-1-(4-chlorophenyl)-3-(3',4',5',6'-tetrahydro-2'H-[2,3']bipyridinyl-1'-yl)propan-1-one O-methyloxime
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| Structure |
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| Formula |
C20H24ClN3O
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| Molecular Weight |
357.885
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| Canonical SMILES |
CO\N=C(/CCN1CCCC(C1)c1ccccn1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-10,12,17H,4-5,11,13-15H2,1H3/b23-20+
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| InChIKey |
XZPJJFLDLIWHRV-BSYVCWPDSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor