General Information of the Compound
| Compound ID |
CP0442149
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| Compound Name |
3-Benzyl-7-methoxy-1,2,3,4-tetrahydro-9-oxa-3-aza-phenanthren-10-one
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| Structure |
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| Formula |
C20H19NO3
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| Molecular Weight |
321.376
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| Canonical SMILES |
COc1ccc2c3CN(Cc4ccccc4)CCc3c(=O)oc2c1
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| InChI |
InChI=1S/C20H19NO3/c1-23-15-7-8-16-18-13-21(12-14-5-3-2-4-6-14)10-9-17(18)20(22)24-19(16)11-15/h2-8,11H,9-10,12-13H2,1H3
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| InChIKey |
HPGSKFGJWZDNJU-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