General Information of the Compound
| Compound ID |
CP0332228
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| Compound Name |
6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)-7-methylisoindolin-1-one
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| Structure |
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| Formula |
C26H28FN3O2
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| Molecular Weight |
433.527
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| Canonical SMILES |
Cc1c2C(=O)NCc2ccc1OCCCN1CCN(CC1)c1cccc2cccc(F)c12
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| InChI |
InChI=1S/C26H28FN3O2/c1-18-23(10-9-20-17-28-26(31)24(18)20)32-16-4-11-29-12-14-30(15-13-29)22-8-3-6-19-5-2-7-21(27)25(19)22/h2-3,5-10H,4,11-17H2,1H3,(H,28,31)
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| InChIKey |
QSGFUFFBPNBPBA-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