General Information of the Compound
| Compound ID |
CP0899498
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| Compound Name |
6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepine
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| Structure |
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| Formula |
C22H32N4OS
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| Molecular Weight |
400.592
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2CCc3ncsc3CC2)CC1
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| InChI |
InChI=1S/C22H32N4OS/c1-27-21-7-3-2-6-20(21)26-16-14-25(15-17-26)11-5-4-10-24-12-8-19-22(9-13-24)28-18-23-19/h2-3,6-7,18H,4-5,8-17H2,1H3
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| InChIKey |
ALPOWWDAVMFBEC-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor