General Information of the Compound
| Compound ID |
CP0249244
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| Compound Name |
4-[5-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]pentyl]benzene-1,2-diol
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| Structure |
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| Formula |
C21H31N3O2S
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| Molecular Weight |
389.565
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| Canonical SMILES |
CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C21H31N3O2S/c1-2-11-24(16-8-9-17-20(14-16)27-21(22)23-17)12-5-3-4-6-15-7-10-18(25)19(26)13-15/h7,10,13,16,25-26H,2-6,8-9,11-12,14H2,1H3,(H2,22,23)/t16-/m0/s1
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| InChIKey |
CVHFBMSYCSPBIQ-INIZCTEOSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor