General Information of the Compound
| Compound ID |
CP0572354
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| Compound Name |
US9163011, 27
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| Structure |
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| Formula |
C18H17ClF3N5O3
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| Molecular Weight |
443.813
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| Canonical SMILES |
CCOc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClF3N5O3/c1-3-29-9-6-10(19)13(24-7-9)15(28)26-12-5-4-11(20)14(25-12)17(2)18(21,22)8-30-16(23)27-17/h4-7H,3,8H2,1-2H3,(H2,23,27)(H,25,26,28)/t17-/m1/s1
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| InChIKey |
NCAGWNFSRXNJDL-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