General Information of the Compound
| Compound ID |
CP0906775
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| Compound Name |
US9133168, Example 34a
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| Structure |
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| Formula |
C19H19ClF2N4O3
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| Molecular Weight |
424.835
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| Canonical SMILES |
CC1Cc2c(ccc(F)c2Cl)N1C(=O)Cc1nc(N2CCOCC2)c(F)c(=O)[nH]1
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| InChI |
InChI=1S/C19H19ClF2N4O3/c1-10-8-11-13(3-2-12(21)16(11)20)26(10)15(27)9-14-23-18(17(22)19(28)24-14)25-4-6-29-7-5-25/h2-3,10H,4-9H2,1H3,(H,23,24,28)
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| InChIKey |
MJWAFJUDGWGMGM-UHFFFAOYSA-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