General Information of the Compound
| Compound ID |
CP0454655
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| Compound Name |
3-[2-(4-Naphthalen-2-yl-piperazin-1-yl)-ethyl]-2,3-dihydro-isoindol-1-one
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| Structure |
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| Formula |
C24H25N3O
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| Molecular Weight |
371.484
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| Canonical SMILES |
O=C1NC(CCN2CCN(CC2)c2ccc3ccccc3c2)c2ccccc12
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| InChI |
InChI=1S/C24H25N3O/c28-24-22-8-4-3-7-21(22)23(25-24)11-12-26-13-15-27(16-14-26)20-10-9-18-5-1-2-6-19(18)17-20/h1-10,17,23H,11-16H2,(H,25,28)
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| InChIKey |
GNYXSGLNCOUDJV-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