General Information of the Compound
| Compound ID |
CP0388275
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| Compound Name |
(1S,8S,10S,11S,12S,13S)-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol
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| Synonyms |
CHEMBL1096481
N-methylstephuline
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| Structure |
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| Formula |
C20H27NO6
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| Molecular Weight |
377.437
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| Canonical SMILES |
CO[C@H]1[C@@H](O)C[C@]23CCN(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31
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| InChI |
InChI=1S/C20H27NO6/c1-21-8-7-18-9-12(22)17(25-3)20(26-4)19(18,21)10-14(27-20)11-5-6-13(24-2)16(23)15(11)18/h5-6,12,14,17,22-23H,7-10H2,1-4H3/t12-,14-,17-,18-,19-,20+/m0/s1
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| InChIKey |
GAUBYMMEBUOLGW-HMOIBATMSA-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