General Information of the Compound
| Compound ID |
CP0176667
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| Compound Name |
methyl 3-amino-6-benzyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxylate
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| Structure |
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| Formula |
C19H19N3O2S
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| Molecular Weight |
353.447
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| Canonical SMILES |
COC(=O)c1sc2nc3CCN(Cc4ccccc4)Cc3cc2c1N
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| InChI |
InChI=1S/C19H19N3O2S/c1-24-19(23)17-16(20)14-9-13-11-22(10-12-5-3-2-4-6-12)8-7-15(13)21-18(14)25-17/h2-6,9H,7-8,10-11,20H2,1H3
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| InChIKey |
AADJALJXYKSCIB-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