General Information of the Compound
| Compound ID |
CP0078451
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| Compound Name |
5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene-10-carbonitrile
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| Structure |
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| Formula |
C23H22N2O
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| Molecular Weight |
342.442
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#N)c-34)c12
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| InChI |
InChI=1S/C23H22N2O/c1-5-7-18-22-16(21-15(13-24)8-6-9-19(21)26-18)10-11-17-20(22)14(2)12-23(3,4)25-17/h5-6,8-12,18,25H,1,7H2,2-4H3
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| InChIKey |
MNCTUCPUOSPLLV-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: PT00967, Glucocorticoid receptor