General Information of the Compound
| Compound ID |
CP0258893
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| Compound Name |
7-methyl-6-(4-(4-(naphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C27H31N3O2
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| Molecular Weight |
429.564
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| Canonical SMILES |
Cc1c2C(=O)NCc2ccc1OCCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H31N3O2/c1-20-25(12-11-22-19-28-27(31)26(20)22)32-18-5-4-13-29-14-16-30(17-15-29)24-10-6-8-21-7-2-3-9-23(21)24/h2-3,6-12H,4-5,13-19H2,1H3,(H,28,31)
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| InChIKey |
GWGIUBSVFHLVKW-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter