General Information of the Compound
| Compound ID |
CP0554816
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| Compound Name |
US8952008, 3
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| Structure |
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| Formula |
C19H16FN5O2S
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| Molecular Weight |
397.435
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H16FN5O2S/c1-2-25-11-22-18-16(10-23-24-19(18)25)13-5-8-17(20)15(9-13)12-3-6-14(7-4-12)28(21,26)27/h3-11H,2H2,1H3,(H2,21,26,27)
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| InChIKey |
HJWSOSQLQQNWPN-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