General Information of the Compound
| Compound ID |
CP0921608
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| Compound Name |
N-[4-(4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-6-yl)butyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C22H33N3OS
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| Molecular Weight |
387.593
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| Canonical SMILES |
O=C(NCCCCN1CCc2ncsc2CC1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C22H33N3OS/c26-21(22-12-16-9-17(13-22)11-18(10-16)14-22)23-5-1-2-6-25-7-3-19-20(4-8-25)27-15-24-19/h15-18H,1-14H2,(H,23,26)
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| InChIKey |
RXOQYNOKQGUANO-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