General Information of the Compound
| Compound ID |
CP0103971
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| Compound Name |
5-methyl-6-(3-(4-(naphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
Cc1cc2CNC(=O)c2cc1OCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H29N3O2/c1-19-16-21-18-27-26(30)23(21)17-25(19)31-15-5-10-28-11-13-29(14-12-28)24-9-4-7-20-6-2-3-8-22(20)24/h2-4,6-9,16-17H,5,10-15,18H2,1H3,(H,27,30)
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| InChIKey |
RXMKGIMPRMJJBI-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