General Information of the Compound
| Compound ID |
CP0530228
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| Compound Name |
4-[(E)-5-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]pent-1-enyl]-2-methoxyphenol
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| Structure |
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| Formula |
C22H31N3O2S
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| Molecular Weight |
401.576
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| Canonical SMILES |
CCCN(CCC\C=C\c1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C22H31N3O2S/c1-3-12-25(17-9-10-18-21(15-17)28-22(23)24-18)13-6-4-5-7-16-8-11-19(26)20(14-16)27-2/h5,7-8,11,14,17,26H,3-4,6,9-10,12-13,15H2,1-2H3,(H2,23,24)/b7-5+
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| InChIKey |
DCTJWNXQZKKVMP-FNORWQNLSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor