General Information of the Compound
| Compound ID |
CP0268880
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| Compound Name |
1-((2S)-1-(1-hydroxyethyl)pyrrolidine-2-carbonyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C18H21N3O3
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| Molecular Weight |
327.384
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| Canonical SMILES |
CC(=O)N1CCC[C@H]1C(=O)N1CCc2cccc3C(=O)NCC1c23
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| InChI |
InChI=1S/C18H21N3O3/c1-11(22)20-8-3-6-14(20)18(24)21-9-7-12-4-2-5-13-16(12)15(21)10-19-17(13)23/h2,4-5,14-15H,3,6-10H2,1H3,(H,19,23)/t14-,15?/m0/s1
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| InChIKey |
HKPNOYFEQNVNLD-MLCCFXAWSA-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