General Information of the Compound
| Compound ID |
CP0108319
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| Compound Name |
US10501467, Example 65
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| Structure |
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| Formula |
C16H16FN5O2
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| Molecular Weight |
329.335
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| Canonical SMILES |
CC(C)(N)C(=O)N1Cc2[nH]c3cc(F)cc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C16H16FN5O2/c1-16(2,18)15(24)22-5-10-13-11(6-22)20-21-14(23)8-3-7(17)4-9(19-10)12(8)13/h3-4,19H,5-6,18H2,1-2H3,(H,21,23)
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| InChIKey |
HECWKJIYLZFNLH-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