General Information of the Compound
| Compound ID |
CP0899499
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| Compound Name |
6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4,5,7,8-tetrahydrothiazolo[4,5-d]azepine
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| Structure |
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| Formula |
C19H28N6S
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| Molecular Weight |
372.542
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| Canonical SMILES |
c1cnc(N2CCN(CCCCN3CCc4ncsc4CC3)CC2)nc1
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| InChI |
InChI=1S/C19H28N6S/c1(8-23-10-4-17-18(5-11-23)26-16-22-17)2-9-24-12-14-25(15-13-24)19-20-6-3-7-21-19/h3,6-7,16H,1-2,4-5,8-15H2
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| InChIKey |
KTMPMYIMDGPOKZ-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