General Information of the Compound
| Compound ID |
CP0485162
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| Compound Name |
9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
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| Synonyms |
NBI-98782
NBI-98854
VMAT-2 inhibitor (CNS disease), Neurocrine
Vesicular monoamine transporter 2 inhibitor (CNS indications), Neurocrine
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| Structure |
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| Formula |
C19H29NO3
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| Molecular Weight |
319.445
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| Canonical SMILES |
COc1cc2CCN3CC(CC(C)C)C(O)CC3c2cc1OC
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| InChI |
InChI=1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3
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| InChIKey |
WEQLWGNDNRARGE-UHFFFAOYSA-N
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| CAS |
3466-75-9
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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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01929, Synaptic vesicular amine transporter
Clinical Information about the Compound