General Information of the Compound
| Compound ID |
CP0578124
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| Compound Name |
US8952008, 24
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| Structure |
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| Formula |
C22H19FN4O3S
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| Molecular Weight |
438.484
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| Canonical SMILES |
COc1cc(ccc1-c1cc(ccc1F)-c1cnnc2n(cnc12)C1CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H19FN4O3S/c1-30-20-10-15(31(2,28)29)6-7-16(20)17-9-13(3-8-19(17)23)18-11-25-26-22-21(18)24-12-27(22)14-4-5-14/h3,6-12,14H,4-5H2,1-2H3
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| InChIKey |
HOAUSCIFFXMGAW-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