General Information of the Compound
| Compound ID |
CP0479467
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| Compound Name |
(R)-2-Methoxyaporphin-11-yl pentanoate
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| Synonyms |
(R)-2-Methoxyaporphin-11-yl pentanoate
BDBM50252323
CHEMBL482276
MCL-516
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| Structure |
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| Formula |
C23H27NO3
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| Molecular Weight |
365.473
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| Canonical SMILES |
CCCCC(=O)Oc1cccc2C[C@H]3N(C)CCc4cc(OC)cc(c34)-c12
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| InChI |
InChI=1S/C23H27NO3/c1-4-5-9-21(25)27-20-8-6-7-15-13-19-22-16(10-11-24(19)2)12-17(26-3)14-18(22)23(15)20/h6-8,12,14,19H,4-5,9-11,13H2,1-3H3/t19-/m1/s1
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| InChIKey |
NMUGDOOOAXACRK-LJQANCHMSA-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor
Clinical Information about the Compound