General Information of the Compound
| Compound ID |
CP0542783
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| Compound Name |
2-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,8-naphthyridin-1-yl)propan-2-yloxy]-1-(2,8-dihydroxy-4b,6,10b,11-tetrahydrochromeno[4,3-c]cinnolin-5-yl)ethanone
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| Structure |
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| Formula |
C28H36N4O5
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| Molecular Weight |
508.619
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| Canonical SMILES |
CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12
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| InChI |
InChI=1S/C28H36N4O5/c1-17(14-31-11-3-5-18-4-2-10-29-28(18)31)36-16-26(35)32-27-22-9-7-20(34)13-25(22)37-15-23(27)21-8-6-19(33)12-24(21)30-32/h6-9,12-13,17-18,23,27-30,33-34H,2-5,10-11,14-16H2,1H3
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| InChIKey |
DIKAQBJCHZVUSN-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