General Information of the Compound
| Compound ID |
CP0945489
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| Compound Name |
(R)-(-)-2-(4-N,N-Dimethylaminophenyl)-apomorphine dihydrochloride
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| Structure |
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| Formula |
C25H28Cl2N2O2
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| Molecular Weight |
459.417
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| Canonical SMILES |
CN(C)c1ccc(-c2cc3c4c(c2)-c2c(ccc(O)c2O)C[C@H]4N(C)CC3)cc1.Cl.Cl
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| InChI |
InChI=1S/C25H26N2O2.2ClH/c1-26(2)19-7-4-15(5-8-19)18-12-17-10-11-27(3)21-14-16-6-9-22(28)25(29)24(16)20(13-18)23(17)21;;/h4-9,12-13,21,28-29H,10-11,14H2,1-3H3;2*1H/t21-;;/m1../s1
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| InChIKey |
LDKUMTCVQOKSHW-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