General Information of the Compound
| Compound ID |
CP0103966
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| Compound Name |
5-chloro-6-(3-(4-(8-fluoronaphthalen-1-yl)piperazin-1-yl)propoxy)isoindolin-1-one
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| Structure |
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| Formula |
C25H25ClFN3O2
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| Molecular Weight |
453.945
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| Canonical SMILES |
Fc1cccc2cccc(N3CCN(CCCOc4cc5C(=O)NCc5cc4Cl)CC3)c12
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| InChI |
InChI=1S/C25H25ClFN3O2/c26-20-14-18-16-28-25(31)19(18)15-23(20)32-13-3-8-29-9-11-30(12-10-29)22-7-2-5-17-4-1-6-21(27)24(17)22/h1-2,4-7,14-15H,3,8-13,16H2,(H,28,31)
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| InChIKey |
ASFLUVKXUIJMQA-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