General Information of the Compound
| Compound ID |
CP0398699
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| Compound Name |
18-methoxy-12-methyl-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 |
C21H22N2O
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| Molecular Weight |
318.42
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| Canonical SMILES |
COc1ccc2C3Cc4c([nH]c5ccccc45)C(C)N3CCc2c1
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| InChI |
InChI=1S/C21H22N2O/c1-13-21-18(17-5-3-4-6-19(17)22-21)12-20-16-8-7-15(24-2)11-14(16)9-10-23(13)20/h3-8,11,13,20,22H,9-10,12H2,1-2H3
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| InChIKey |
NOIBFQGSIUGWNW-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