General Information of the Compound
| Compound ID |
CP0517890
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| Compound Name |
US9169240, 84
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| Structure |
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| Formula |
C22H16F3N5O3S
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| Molecular Weight |
487.463
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| Canonical SMILES |
FC(F)(F)CN(C1CCNC1=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C22H16F3N5O3S/c23-22(24,25)11-30(15-8-9-26-18(15)32)21-29-28-19(33-21)17(31)20-27-14-7-6-13(10-16(14)34-20)12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H,26,32)
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| InChIKey |
NSCFODDTHRJGOC-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