General Information of the Compound
| Compound ID |
CP0053099
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| Compound Name |
6-(4-(4-(6-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)-5-methylisoindolin-1-one
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| Structure |
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| Formula |
C27H30FN3O2
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| Molecular Weight |
447.554
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| Canonical SMILES |
Cc1cc2CNC(=O)c2cc1OCCCCN1CCN(CC1)c1cccc2cc(F)ccc12
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| InChI |
InChI=1S/C27H30FN3O2/c1-19-15-21-18-29-27(32)24(21)17-26(19)33-14-3-2-9-30-10-12-31(13-11-30)25-6-4-5-20-16-22(28)7-8-23(20)25/h4-8,15-17H,2-3,9-14,18H2,1H3,(H,29,32)
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| InChIKey |
MGUCYNMYMMBXDP-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