General Information of the Compound
| Compound ID |
CP0392317
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| Compound Name |
7-[4-[[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(Cc3ccc(Oc4ccc5CCC(=O)Nc5c4)cc3)CC2)c1Cl
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| InChI |
InChI=1S/C26H25Cl2N3O2/c27-22-2-1-3-24(26(22)28)31-14-12-30(13-15-31)17-18-4-8-20(9-5-18)33-21-10-6-19-7-11-25(32)29-23(19)16-21/h1-6,8-10,16H,7,11-15,17H2,(H,29,32)
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| InChIKey |
MCIWPVPYVLZFFO-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
Cell-based Assay