General Information of the Compound
| Compound ID |
CP0326922
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| Compound Name |
US10112931, Example 404
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| Structure |
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| Formula |
C19H18ClFN6O2
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| Molecular Weight |
416.844
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| Canonical SMILES |
C[C@H](Nc1nccc(n1)N1[C@@H](CF)COC1=O)c1cn(cn1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C19H18ClFN6O2/c1-12(16-9-26(11-23-16)14-4-2-13(20)3-5-14)24-18-22-7-6-17(25-18)27-15(8-21)10-29-19(27)28/h2-7,9,11-12,15H,8,10H2,1H3,(H,22,24,25)/t12-,15-/m0/s1
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| InChIKey |
KPEQYRKGPMZOQE-WFASDCNBSA-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