General Information of the Compound
| Compound ID |
CP0200231
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| Compound Name |
10-Methoxy-2,2,4-trimethyl-5-prop-2-ynyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C23H23NO2
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| Molecular Weight |
345.442
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| Canonical SMILES |
COc1cccc2OC(CC#C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C23H23NO2/c1-6-8-18-22-15(21-17(25-5)9-7-10-19(21)26-18)11-12-16-20(22)14(2)13-23(3,4)24-16/h1,7,9-13,18,24H,8H2,2-5H3
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| InChIKey |
LTVDMZKEGDEQLE-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