General Information of the Compound
| Compound ID |
CP0317756
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| Compound Name |
1-(2-(4-methylthiazol-2-yl)acetyl)-2,3,9,9a-tetrahydro-1H-benzo[de][1,7]naphthyridin-7(8H)-one
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
Cc1csc(CC(=O)N2CCc3cccc4C(=O)NCC2c34)n1
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| InChI |
InChI=1S/C17H17N3O2S/c1-10-9-23-14(19-10)7-15(21)20-6-5-11-3-2-4-12-16(11)13(20)8-18-17(12)22/h2-4,9,13H,5-8H2,1H3,(H,18,22)
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| InChIKey |
BIEHYKHVCMIZHI-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