General Information of the Compound
| Compound ID |
CP0383325
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| Compound Name |
Burnamine-17-O-3',4',5'-trimethoxybenzoate
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| Synonyms |
BDBM50308526
Burnamine-17-O-3',4',5'-trimethoxybenzoate
CHEMBL592589
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| Structure |
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| Formula |
C31H34N2O8
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| Molecular Weight |
562.619
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| Canonical SMILES |
COC(=O)[C@]1(COC(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]2C[C@@H]3N(C\C2=C/C)[C@@H]2C[C@]11c4ccccc4N[C@]31O2
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| InChI |
InChI=1S/C31H34N2O8/c1-6-17-15-33-24-13-20(17)29(28(35)39-5,16-40-27(34)18-11-22(36-2)26(38-4)23(12-18)37-3)30-14-25(33)41-31(24,30)32-21-10-8-7-9-19(21)30/h6-12,20,24-25,32H,13-16H2,1-5H3/b17-6+/t20-,24-,25-,29-,30-,31-/m0/s1
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| InChIKey |
CLCDMQIWPVOTMQ-RKJOYVLNSA-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: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2
Clinical Information about the Compound