General Information of the Compound
| Compound ID |
CP0404829
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| Compound Name |
CHEMBL4282506
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| Formula |
C15H15N5O5S
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| Molecular Weight |
377.382
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| Canonical SMILES |
O=C(CC#N)N\N=C1/C(=O)Nc2ccc(cc12)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C15H15N5O5S/c16-4-3-13(21)18-19-14-11-9-10(1-2-12(11)17-15(14)22)26(23,24)20-5-7-25-8-6-20/h1-2,9H,3,5-8H2,(H,18,21)(H,17,19,22)
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| InChIKey |
WPPDHWSWHZDVQN-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