General Information of the Compound
| Compound ID |
CP0488361
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| Compound Name |
US9422293, 304
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| Structure |
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| Formula |
C22H22F3N5O2S2
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| Molecular Weight |
509.579
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1S(C)(=O)=O
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| InChI |
InChI=1S/C22H22F3N5O2S2/c1-33-21-28-17-10-13-30(20-18(34(2,31)32)4-3-11-26-20)12-9-16(17)19(29-21)27-15-7-5-14(6-8-15)22(23,24)25/h3-8,11H,9-10,12-13H2,1-2H3,(H,27,28,29)
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| InChIKey |
MZGUCZKVMGOWMO-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