General Information of the Compound
| Compound ID |
CP0962520
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| Compound Name |
6-[4-(4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-6-yl)butyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepine
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| Structure |
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| Formula |
C18H26N4S2
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| Molecular Weight |
362.568
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| Canonical SMILES |
c1nc2c(s1)CCN(CCCCN1CCc3ncsc3CC1)CC2
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| InChI |
InChI=1S/C18H26N4S2/c1(7-21-9-3-15-17(5-11-21)23-13-19-15)2-8-22-10-4-16-18(6-12-22)24-14-20-16/h13-14H,1-12H2
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| InChIKey |
XWOWUPZMWGTZIJ-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