General Information of the Compound
| Compound ID |
CP0051650
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| Compound Name |
5-(3-Bromo-5-methyl-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H24BrNO
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| Molecular Weight |
446.388
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(C)cc(Br)c4)c3c12
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| InChI |
InChI=1S/C26H24BrNO/c1-15-11-17(13-18(27)12-15)25-24-20(19-7-5-6-8-22(19)29-25)9-10-21-23(24)16(2)14-26(3,4)28-21/h5-14,25,28H,1-4H3
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| InChIKey |
BDYFDDGUXXUNJN-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor