General Information of the Compound
| Compound ID |
CP0226622
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| Compound Name |
1-(3-(1-methyl-1H-pyrazol-4-yl)propanoyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C18H20N4O2
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| Molecular Weight |
324.384
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| Canonical SMILES |
Cn1cc(CCC(=O)N2CCc3cccc4C(=O)NCC2c34)cn1
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| InChI |
InChI=1S/C18H20N4O2/c1-21-11-12(9-20-21)5-6-16(23)22-8-7-13-3-2-4-14-17(13)15(22)10-19-18(14)24/h2-4,9,11,15H,5-8,10H2,1H3,(H,19,24)
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| InChIKey |
SBMIMFRSDNEULS-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