General Information of the Compound
| Compound ID |
CP0447585
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| Compound Name |
18-methoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16(21),17,19-heptaene
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| Structure |
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| Formula |
C20H20N2O
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| Molecular Weight |
304.393
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| Canonical SMILES |
COc1ccc2C3Cc4c(CN3CCc2c1)[nH]c1ccccc41
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| InChI |
InChI=1S/C20H20N2O/c1-23-14-6-7-15-13(10-14)8-9-22-12-19-17(11-20(15)22)16-4-2-3-5-18(16)21-19/h2-7,10,20-21H,8-9,11-12H2,1H3
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| InChIKey |
PPHXAWMEWGQMQD-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