General Information of the Compound
| Compound ID |
CP0135934
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| Compound Name |
1-((S)-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 |
C16H19N3O2
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| Molecular Weight |
285.347
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| Canonical SMILES |
O=C([C@@H]1CCCN1)N1CCc2cccc3C(=O)NCC1c23
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| InChI |
InChI=1S/C16H19N3O2/c20-15-11-4-1-3-10-6-8-19(13(9-18-15)14(10)11)16(21)12-5-2-7-17-12/h1,3-4,12-13,17H,2,5-9H2,(H,18,20)/t12-,13?/m0/s1
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| InChIKey |
CHASFUKBGGUFKP-UEWDXFNNSA-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