General Information of the Compound
| Compound ID |
CP0438835
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| Compound Name |
(1R,8S,10S,11R)-4,12-dimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5,12-tetraene-3,11-diol
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| Synonyms |
CHEMBL1096482
PROSTEPHABYSSINE
prostephabyssine
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| Structure |
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| Formula |
C19H23NO5
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| Molecular Weight |
345.395
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| Canonical SMILES |
COC1=CC[C@]23CCN(C)[C@@]22C[C@H](O[C@@]12O)c1ccc(OC)c(O)c31
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| InChI |
InChI=1S/C19H23NO5/c1-20-9-8-17-7-6-14(24-3)19(22)18(17,20)10-13(25-19)11-4-5-12(23-2)16(21)15(11)17/h4-6,13,21-22H,7-10H2,1-3H3/t13-,17+,18-,19-/m0/s1
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| InChIKey |
MLEYOIRGICHLGN-PZGXJPJSSA-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