General Information of the Compound
| Compound ID |
CP0554080
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| Compound Name |
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
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| Structure |
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| Formula |
C18H15N3O4S
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| Molecular Weight |
369.402
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| Canonical SMILES |
CSc1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C18H15N3O4S/c1-26-13-4-2-3-11(9-13)16(22)19-18-21-20-17(25-18)12-5-6-14-15(10-12)24-8-7-23-14/h2-6,9-10H,7-8H2,1H3,(H,19,21,22)
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| InChIKey |
XJHIDQOFDZCREQ-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