General Information of the Compound
| Compound ID |
CP0657734
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| Compound Name |
(5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol hydrochloride
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| Structure |
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| Formula |
C18H22ClNO2S
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| Molecular Weight |
351.899
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| Canonical SMILES |
CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21.Cl
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| InChI |
InChI=1S/C18H21NO2S.ClH/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14;/h6-8,14,18-21H,2-5,9H2,1H3;1H/t14-,18+;/m0./s1
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| InChIKey |
NQQIUPCHXZFDIL-QLOBERJESA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor