General Information of the Compound
| Compound ID |
CP0578127
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| Compound Name |
US8952008, 35
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| Structure |
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| Formula |
C24H22FN5O2S
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| Molecular Weight |
463.538
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| Canonical SMILES |
CC(C)n1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1C#N)S(=O)(=O)C(C)C
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| InChI |
InChI=1S/C24H22FN5O2S/c1-14(2)30-13-27-23-21(12-28-29-24(23)30)16-5-8-22(25)20(10-16)19-7-6-18(9-17(19)11-26)33(31,32)15(3)4/h5-10,12-15H,1-4H3
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| InChIKey |
DMEHFXOQCJVYEI-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