General Information of the Compound
| Compound ID |
CP0412230
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| Compound Name |
2-[[4-[N'-[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-N-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl]sulfanyl]-N-(2-hydroxyethyl)acetamide
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| Structure |
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| Formula |
C15H16FN5O4S
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| Molecular Weight |
381.389
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| Canonical SMILES |
OCCNC(=O)CSc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
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| InChI |
InChI=1S/C15H16FN5O4S/c16-9-2-1-8-5-11(10(8)6-9)18-14(19-24)13-15(21-25-20-13)26-7-12(23)17-3-4-22/h1-2,6,11,22,24H,3-5,7H2,(H,17,23)(H,18,19)/t11-/m0/s1
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| InChIKey |
VFUXZLUKBSFCGU-NSHDSACASA-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