General Information of the Compound
| Compound ID |
CP0958935
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| Compound Name |
6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine
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| Structure |
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| Formula |
C19H29N7S
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| Molecular Weight |
387.557
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| Canonical SMILES |
Nc1nc2c(s1)CCN(CCCCN1CCN(c3ncccn3)CC1)CC2
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| InChI |
InChI=1S/C19H29N7S/c20-18-23-16-4-10-24(11-5-17(16)27-18)8-1-2-9-25-12-14-26(15-13-25)19-21-6-3-7-22-19/h3,6-7H,1-2,4-5,8-15H2,(H2,20,23)
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| InChIKey |
SITUEGLHNDXECQ-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