General Information of the Compound
| Compound ID |
CP0279829
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| Compound Name |
5-Allyl-10-ethynyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C24H23NO
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| Molecular Weight |
341.454
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#C)c-34)c12
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| InChI |
InChI=1S/C24H23NO/c1-6-9-19-23-17(22-16(7-2)10-8-11-20(22)26-19)12-13-18-21(23)15(3)14-24(4,5)25-18/h2,6,8,10-14,19,25H,1,9H2,3-5H3
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| InChIKey |
QOOAVFNQEWFRQY-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