General Information of the Compound
| Compound ID |
CP0291460
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| Compound Name |
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-phenylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C30H35N3O2
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| Molecular Weight |
469.629
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2CCc3cc(ccc3C2=O)-c2ccccc2)CC1
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| InChI |
InChI=1S/C30H35N3O2/c1-35-29-12-6-5-11-28(29)32-21-19-31(20-22-32)16-7-8-17-33-18-15-26-23-25(13-14-27(26)30(33)34)24-9-3-2-4-10-24/h2-6,9-14,23H,7-8,15-22H2,1H3
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| InChIKey |
UTEITPSYNTYGQL-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
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor