General Information of the Compound
| Compound ID |
CP0412990
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| Compound Name |
(4-methyl-2-naphthalen-1-yl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C20H21N3OS
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| Molecular Weight |
351.475
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1sc(nc1C)-c1cccc2ccccc12
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| InChI |
InChI=1S/C20H21N3OS/c1-14-18(20(24)23-12-10-22(2)11-13-23)25-19(21-14)17-9-5-7-15-6-3-4-8-16(15)17/h3-9H,10-13H2,1-2H3
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| InChIKey |
VSAPOZMERHDMFC-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C