General Information of the Compound
| Compound ID |
CP0570742
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| Compound Name |
US9163011, 24
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| Structure |
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| Formula |
C18H15ClF5N5O3
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| Molecular Weight |
479.793
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncc(OCC(F)F)cc2Cl)ccc1F
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| InChI |
InChI=1S/C18H15ClF5N5O3/c1-17(18(23,24)7-32-16(25)29-17)14-10(20)2-3-12(27-14)28-15(30)13-9(19)4-8(5-26-13)31-6-11(21)22/h2-5,11H,6-7H2,1H3,(H2,25,29)(H,27,28,30)/t17-/m1/s1
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| InChIKey |
SYFKAGCUUZFBGJ-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