General Information of the Compound
| Compound ID |
CP0046812
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| Compound Name |
5-Ethyl-10-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C22H25NO2
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| Molecular Weight |
335.447
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| Canonical SMILES |
CCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
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| InChI |
InChI=1S/C22H25NO2/c1-6-16-21-14(20-17(24-5)8-7-9-18(20)25-16)10-11-15-19(21)13(2)12-22(3,4)23-15/h7-12,16,23H,6H2,1-5H3
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| InChIKey |
CXCNKUDUMXKAFZ-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