General Information of the Compound
| Compound ID |
CP0084994
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| Compound Name |
(2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine;hydrochloride
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| Synonyms |
10-[((1R)-6,7-dimethoxy(1,2,3,4-tetrahydroisoquinolyl))methyl](10S,11aS,9R)-9- ethyl-2,3-dimethoxy-5,6,7,11a-tetrahydropiperidino[2,1-a]isoquinolin
14198-59-5
AC1O7FP4
AKOS024374935
CHEMBL513000
Cephaeline methyl ether HCl
Cephaeline methyl ether hydrochloride
DTXSID80424947
EMETINE
Emetan,7',10,11-tetramethoxy-, dihydrochloride
Emetine
Emetine hydrochloride
Emetine monohydrochloride
MLS000028478
MolPort-004-964-890
NSC-33669
NSC-752340
NSC33669
NSC752340
Opera_ID_1460
Q-100155
SCHEMBL636599
SMR000058444
ST51014995
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| Structure |
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| Formula |
C29H40N2O4
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| Molecular Weight |
480.649
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| Canonical SMILES |
CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12
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| InChI |
InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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| InChIKey |
AUVVAXYIELKVAI-CKBKHPSWSA-N
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| CAS |
483-18-1
24377-67-1
602-59-5
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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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT04678, Serine hydrolase RBBP9
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound