General Information of the Compound
| Compound ID |
CP0861963
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| Compound Name |
1-[4-(N,N-Dimethylamino)-benzyl]-apomorphine Dihydrochloride
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| Structure |
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| Formula |
C26H30Cl2N2O2
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| Molecular Weight |
473.444
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| Canonical SMILES |
CN(C)c1ccc(Cc2ccc3c4c2-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1.Cl.Cl
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| InChI |
InChI=1S/C26H28N2O2.2ClH/c1-27(2)20-9-4-16(5-10-20)14-18-7-6-17-12-13-28(3)21-15-19-8-11-22(29)26(30)25(19)24(18)23(17)21;;/h4-11,21,29-30H,12-15H2,1-3H3;2*1H/t21-;;/m1../s1
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| InChIKey |
VSWNNMCDPYPCNX-GHVWMZMZSA-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