General Information of the Compound
| Compound ID |
CP0857628
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| Compound Name |
N-Propyl-2-(4-hydroxyphenyl)-norapomorphine hydrochloride
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| Structure |
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| Formula |
C25H26ClNO3
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| Molecular Weight |
423.94
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| Canonical SMILES |
CCCN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C25H25NO3.ClH/c1-2-10-26-11-9-17-12-18(15-3-6-19(27)7-4-15)13-20-23(17)21(26)14-16-5-8-22(28)25(29)24(16)20;/h3-8,12-13,21,27-29H,2,9-11,14H2,1H3;1H/t21-;/m1./s1
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| InChIKey |
XBVJCBMEJLKETB-ZMBIFBSDSA-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