General Information of the Compound
| Compound ID |
CP0860438
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| Compound Name |
1-(4-Hydroxynaphthylmethyl)-apomorphine Hydrochloride
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| Structure |
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| Formula |
C28H26ClNO3
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| Molecular Weight |
459.973
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| Canonical SMILES |
CN1CCc2ccc(Cc3ccc(O)c4ccccc34)c3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C28H25NO3.ClH/c1-29-13-12-16-6-7-18(14-17-8-10-23(30)21-5-3-2-4-20(17)21)26-25(16)22(29)15-19-9-11-24(31)28(32)27(19)26;/h2-11,22,30-32H,12-15H2,1H3;1H/t22-;/m1./s1
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| InChIKey |
PHJYNOVRHXVAMX-VZYDHVRKSA-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
Protein ID: PT00943, D(3) dopamine receptor