General Information of the Compound
| Compound ID |
CP0426243
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| Compound Name |
US10806720, Compound 1030
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| Structure |
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| Formula |
C19H21F3N6O4
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| Molecular Weight |
454.409
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| Canonical SMILES |
CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2cnc(C#N)c(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C19H21F3N6O4/c1-17(2,3)32-16(30)27-12-8-25-28(9-12)10-18(4,31)15(29)26-11-5-13(19(20,21)22)14(6-23)24-7-11/h5,7-9,31H,10H2,1-4H3,(H,26,29)(H,27,30)/t18-/m0/s1
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| InChIKey |
SXXVPIPXOUJQCN-SFHVURJKSA-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