General Information of the Compound
| Compound ID |
CP0525173
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| Compound Name |
US9163011, 20
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| Structure |
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| Formula |
C16H13ClF3N5O2
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| Molecular Weight |
399.76
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| Canonical SMILES |
C[C@@]1(N=C(N)OCC1(F)F)c1nc(NC(=O)c2ncccc2Cl)ccc1F
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| InChI |
InChI=1S/C16H13ClF3N5O2/c1-15(16(19,20)7-27-14(21)25-15)12-9(18)4-5-10(23-12)24-13(26)11-8(17)3-2-6-22-11/h2-6H,7H2,1H3,(H2,21,25)(H,23,24,26)/t15-/m1/s1
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| InChIKey |
MQFTZDVMSMFRAU-OAHLLOKOSA-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