General Information of the Compound
| Compound ID |
CP0509451
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| Compound Name |
2-Oxo-1,2,3,4-tetrahydro-5-thia-2a-aza-acenaphthylene-1-carboxylic acid (5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amide
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| Structure |
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| Formula |
C14H9F3N4O2S2
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| Molecular Weight |
386.38
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| Canonical SMILES |
FC(F)(F)c1nnc(NC(=O)C2C(=O)N3CCSc4cccc2c34)s1
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| InChI |
InChI=1S/C14H9F3N4O2S2/c15-14(16,17)12-19-20-13(25-12)18-10(22)8-6-2-1-3-7-9(6)21(11(8)23)4-5-24-7/h1-3,8H,4-5H2,(H,18,20,22)
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| InChIKey |
YRMMLXIVGRMBPN-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