General Information of the Compound
| Compound ID |
CP0554996
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| Compound Name |
US9422293, 210
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| Structure |
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| Formula |
C24H26F3N5O2S
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| Molecular Weight |
505.566
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)S(C)(=O)=O)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N5O2S/c1-15(2)21-30-20-11-14-32(23-19(24(25,26)27)5-4-12-28-23)13-10-18(20)22(31-21)29-16-6-8-17(9-7-16)35(3,33)34/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,29,30,31)
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| InChIKey |
YFIDVYCUHUJXDD-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