General Information of the Compound
| Compound ID |
CP0516262
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| Compound Name |
US9163011, 12
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| Structure |
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| Formula |
C18H19F4N7O3
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| Molecular Weight |
457.388
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCCCF)nc2N)ccc1F
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| InChI |
InChI=1S/C18H19F4N7O3/c1-17(18(21,22)8-32-16(24)29-17)13-9(20)3-4-10(26-13)27-15(30)12-14(23)28-11(7-25-12)31-6-2-5-19/h3-4,7H,2,5-6,8H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t17-/m1/s1
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| InChIKey |
PCWNWAKTIVCZNM-QGZVFWFLSA-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