General Information of the Compound
| Compound ID |
CP0463479
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| Compound Name |
4-[6-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]hexyl]-2-methoxyphenol
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| Structure |
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| Formula |
C23H35N3O2S
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| Molecular Weight |
417.619
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| Canonical SMILES |
CCCN(CCCCCCc1ccc(O)c(OC)c1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C23H35N3O2S/c1-3-13-26(18-10-11-19-22(16-18)29-23(24)25-19)14-7-5-4-6-8-17-9-12-20(27)21(15-17)28-2/h9,12,15,18,27H,3-8,10-11,13-14,16H2,1-2H3,(H2,24,25)
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| InChIKey |
SDBZJKFRYKEEMJ-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