General Information of the Compound
| Compound ID |
CP0436579
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| Compound Name |
6-(benzyloxy)-7-methyl-3,4-dihydro-2H-pyrido[3,4-b]indol-1(9H)-one
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| Synonyms |
BDBM50204433
GTPL6358
PMID17276684C22
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| Structure |
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| Formula |
C19H18N2O2
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| Molecular Weight |
306.365
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| Canonical SMILES |
Cc1cc2[nH]c3c(CCNC3=O)c2cc1OCc1ccccc1
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| InChI |
InChI=1S/C19H18N2O2/c1-12-9-16-15(14-7-8-20-19(22)18(14)21-16)10-17(12)23-11-13-5-3-2-4-6-13/h2-6,9-10,21H,7-8,11H2,1H3,(H,20,22)
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| InChIKey |
DYTMNPUOZGPWQA-UHFFFAOYSA-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
Clinical Information about the Compound