General Information of the Compound
| Compound ID |
CP0288560
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| Compound Name |
8-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C20H21NO2
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| Molecular Weight |
307.393
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| Canonical SMILES |
COc1ccc-2c(OCc3c-2ccc2NC(C)(C)C=C(C)c32)c1
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| InChI |
InChI=1S/C20H21NO2/c1-12-10-20(2,3)21-17-8-7-14-15-6-5-13(22-4)9-18(15)23-11-16(14)19(12)17/h5-10,21H,11H2,1-4H3
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| InChIKey |
AFIHLGIDZOZFPH-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: PT01172, Progesterone receptor