General Information of the Compound
| Compound ID |
CP0486284
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| Compound Name |
US9422293, 75B
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| Structure |
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| Formula |
C21H18F6N6S
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| Molecular Weight |
500.472
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| Canonical SMILES |
CSc1nc2CCN(CCc2c(Nc2ccc(nc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C21H18F6N6S/c1-34-19-31-15-7-10-33(18-14(20(22,23)24)3-2-8-28-18)9-6-13(15)17(32-19)30-12-4-5-16(29-11-12)21(25,26)27/h2-5,8,11H,6-7,9-10H2,1H3,(H,30,31,32)
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| InChIKey |
PZRAPQZHNGOEFG-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