General Information of the Compound
| Compound ID |
CP0392318
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| Compound Name |
7-[3-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]phenoxy]-3,4-dihydro-1H-quinolin-2-one
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| Structure |
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| Formula |
C26H25Cl2N3O2
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| Molecular Weight |
482.411
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| Canonical SMILES |
Clc1cccc(N2CCN(Cc3cccc(Oc4ccc5CCC(=O)Nc5c4)c3)CC2)c1Cl
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| InChI |
InChI=1S/C26H25Cl2N3O2/c27-22-5-2-6-24(26(22)28)31-13-11-30(12-14-31)17-18-3-1-4-20(15-18)33-21-9-7-19-8-10-25(32)29-23(19)16-21/h1-7,9,15-16H,8,10-14,17H2,(H,29,32)
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| InChIKey |
PULGLQOWTRCVQB-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: PT01005, D(2) dopamine receptor