General Information of the Compound
| Compound ID |
CP0558234
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| Compound Name |
3-methoxy-7-(3-piperidin-1-ylpropyl)-2,7-diazatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene-6,8-dione
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| Structure |
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| Formula |
C20H23N3O3
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| Molecular Weight |
353.422
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| Canonical SMILES |
COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23
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| InChI |
InChI=1S/C20H23N3O3/c1-26-17-13-15-18-14(7-5-8-16(18)21-17)19(24)23(20(15)25)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12H2,1H3
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| InChIKey |
WYQZLFRGSYUBBJ-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