General Information of the Compound
| Compound ID |
CP0460588
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| Compound Name |
4-[3-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]propyl]benzene-1,2-diol
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| Structure |
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| Formula |
C19H27N3O2S
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| Molecular Weight |
361.511
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| Canonical SMILES |
CCCN(CCCc1ccc(O)c(O)c1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C19H27N3O2S/c1-2-9-22(10-3-4-13-5-8-16(23)17(24)11-13)14-6-7-15-18(12-14)25-19(20)21-15/h5,8,11,14,23-24H,2-4,6-7,9-10,12H2,1H3,(H2,20,21)
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| InChIKey |
YBQDTFTUENERQZ-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor