General Information of the Compound
| Compound ID |
CP0847951
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| Compound Name |
(R)-(-)-2-(4-Hydroxyphenyl)-apomorphine hydrochloride
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| Structure |
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| Formula |
C23H22ClNO3
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| Molecular Weight |
395.886
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| Canonical SMILES |
CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C23H21NO3.ClH/c1-24-9-8-15-10-16(13-2-5-17(25)6-3-13)11-18-21(15)19(24)12-14-4-7-20(26)23(27)22(14)18;/h2-7,10-11,19,25-27H,8-9,12H2,1H3;1H/t19-;/m1./s1
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| InChIKey |
XCFSOYPGNBPGLP-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