General Information of the Compound
| Compound ID |
CP0283682
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| Compound Name |
5-chloro-6-(4-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)butoxy)isoindolin-1-one
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| Structure |
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| Formula |
C26H27ClFN3O2
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| Molecular Weight |
467.972
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| Canonical SMILES |
Fc1cccc2cccc(N3CCN(CCCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
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| InChI |
InChI=1S/C26H27ClFN3O2/c27-21-15-19-17-29-26(32)20(19)16-24(21)33-14-2-1-9-30-10-12-31(13-11-30)23-8-4-6-18-5-3-7-22(28)25(18)23/h3-8,15-16H,1-2,9-14,17H2,(H,29,32)
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| InChIKey |
NZDOOXVGZXZEHJ-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