General Information of the Compound
| Compound ID |
CP0914674
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| Compound Name |
US9067935, 109
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| Structure |
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| Formula |
C25H22F3N3O5S
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| Molecular Weight |
533.528
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| Canonical SMILES |
CC(C)c1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc2ccccn12
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| InChI |
InChI=1S/C25H22F3N3O5S/c1-16(2)22-23(29-21-5-3-4-14-30(21)22)31(15-17-6-10-19(11-7-17)36-25(26,27)28)37(34,35)20-12-8-18(9-13-20)24(32)33/h3-14,16H,15H2,1-2H3,(H,32,33)
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| InChIKey |
VNRONXUPGJJKFH-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