General Information of the Compound
| Compound ID |
CP0383824
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| Compound Name |
3-{4-[4-(6-Fluoro-benzo[b]thiophen-3-yl)-piperazin-1-yl]-butyl}-2-methyl-1-thia-3-aza-spiro[4.4]nonan-4-one
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| Structure |
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| Formula |
C24H32FN3OS2
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| Molecular Weight |
461.672
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| Canonical SMILES |
CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(CC1)c1csc2cc(F)ccc12
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| InChI |
InChI=1S/C24H32FN3OS2/c1-18-28(23(29)24(31-18)8-2-3-9-24)11-5-4-10-26-12-14-27(15-13-26)21-17-30-22-16-19(25)6-7-20(21)22/h6-7,16-18H,2-5,8-15H2,1H3
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| InChIKey |
SYTKLFTVOOOLQR-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: PT01161, D(4) dopamine receptor