General Information of the Compound
| Compound ID |
CP0500664
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| Compound Name |
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-fluoro-4,4-dimethyl-1,2,3,4-tetrahydro-quinoline
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| Structure |
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| Formula |
C24H29FN4S
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| Molecular Weight |
424.589
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| Canonical SMILES |
CC1(C)CCNc2c(CCN3CCN(CC3)c3nsc4ccccc34)cc(F)cc12
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| InChI |
InChI=1S/C24H29FN4S/c1-24(2)8-9-26-22-17(15-18(25)16-20(22)24)7-10-28-11-13-29(14-12-28)23-19-5-3-4-6-21(19)30-27-23/h3-6,15-16,26H,7-14H2,1-2H3
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| InChIKey |
SWKDCCLYHAYMLD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor