General Information of the Compound
| Compound ID |
CP0524403
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| Compound Name |
US8952008, 50
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| Structure |
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| Formula |
C22H19FN4O2S
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| Molecular Weight |
422.485
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc2c(CC(C)S2(=O)=O)c1
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| InChI |
InChI=1S/C22H19FN4O2S/c1-3-27-12-24-21-18(11-25-26-22(21)27)15-4-6-19(23)17(10-15)14-5-7-20-16(9-14)8-13(2)30(20,28)29/h4-7,9-13H,3,8H2,1-2H3
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| InChIKey |
HLGHDHJLYIPBMU-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