General Information of the Compound
| Compound ID |
CP0563863
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| Compound Name |
US9067935, 35
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| Structure |
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| Formula |
C18H17F4N3O2S
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| Molecular Weight |
415.412
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| Canonical SMILES |
Cc1c(nc2c(C)cccn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C18H17F4N3O2S/c1-11-5-4-8-24-12(2)17(23-16(11)24)25(28(3,26)27)10-13-6-7-15(19)14(9-13)18(20,21)22/h4-9H,10H2,1-3H3
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| InChIKey |
JRQLWDRUGGBIIN-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