General Information of the Compound
| Compound ID |
CP0902274
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| Compound Name |
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3a,4,6,7,8,8a-hexahydrothiazolo[5,4-c]azepine
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| Structure |
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| Formula |
C21H30N4OS
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| Molecular Weight |
386.565
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN2CCCc3ncsc3C2)CC1
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| InChI |
InChI=1S/C21H30N4OS/c1-26-20-8-3-2-7-19(20)25-14-12-23(13-15-25)10-5-11-24-9-4-6-18-21(16-24)27-17-22-18/h2-3,7-8,17H,4-6,9-16H2,1H3
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| InChIKey |
JTOJOXGQNGJXCT-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