General Information of the Compound
| Compound ID |
CP0845956
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| Compound Name |
2-Phenylthioapomorphine hydrochloride
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| Structure |
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| Formula |
C23H22ClNO2S
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| Molecular Weight |
411.954
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| Canonical SMILES |
CN1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C23H21NO2S.ClH/c1-24-10-9-15-11-17(27-16-5-3-2-4-6-16)13-18-21(15)19(24)12-14-7-8-20(25)23(26)22(14)18;/h2-8,11,13,19,25-26H,9-10,12H2,1H3;1H/t19-;/m1./s1
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| InChIKey |
SHNWMDWBZSVNSQ-FSRHSHDFSA-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