General Information of the Compound
| Compound ID |
CP0893248
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| Compound Name |
(R)-(-)-2-(4-dibenzo-furanyl)-apomorphine hydrochloride
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| Structure |
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| Formula |
C29H24ClNO3
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| Molecular Weight |
469.968
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| Canonical SMILES |
CN1CCc2cc(-c3cccc4c3oc3ccccc34)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C29H23NO3.ClH/c1-30-12-11-17-13-18(19-6-4-7-21-20-5-2-3-8-25(20)33-29(19)21)14-22-26(17)23(30)15-16-9-10-24(31)28(32)27(16)22;/h2-10,13-14,23,31-32H,11-12,15H2,1H3;1H/t23-;/m1./s1
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| InChIKey |
BDRWETGQFGCXLQ-GNAFDRTKSA-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