General Information of the Compound
| Compound ID |
CP0479859
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| Compound Name |
US9067935, 94
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| Structure |
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| Formula |
C24H21ClF3N5O3S
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| Molecular Weight |
551.978
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| Canonical SMILES |
FC(F)(F)c1cccc(CN(c2nc3ccccn3c2Cl)S(=O)(=O)c2ccc(nc2)N2CCOCC2)c1
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| InChI |
InChI=1S/C24H21ClF3N5O3S/c25-22-23(30-21-6-1-2-9-32(21)22)33(16-17-4-3-5-18(14-17)24(26,27)28)37(34,35)19-7-8-20(29-15-19)31-10-12-36-13-11-31/h1-9,14-15H,10-13,16H2
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| InChIKey |
AJNVXXWOAUDBGW-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