General Information of the Compound
| Compound ID |
CP0104425
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| Compound Name |
2,2,4-Trimethyl-5-[1-o-tolyl-meth-(Z)-ylidene]-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Synonyms |
5-(2-Methylbenzylidene)-2,2,4-trimethyl-1,2-dihydro-5H-1-aza-6-oxachrysene
BDBM50067684
CHEMBL302362
LG-120838
SCHEMBL4175160
SCHEMBL4175162
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| Structure |
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| Formula |
C27H25NO
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| Molecular Weight |
379.503
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12
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| InChI |
InChI=1S/C27H25NO/c1-17-9-5-6-10-19(17)15-24-26-21(20-11-7-8-12-23(20)29-24)13-14-22-25(26)18(2)16-27(3,4)28-22/h5-16,28H,1-4H3/b24-15-
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| InChIKey |
YXKBVHXOKVRRKO-IWIPYMOSSA-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: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor
Clinical Information about the Compound