General Information of the Compound
| Compound ID |
CP0142096
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| Compound Name |
US10501467, Example 49
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| Structure |
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| Formula |
C16H13FN4O2
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| Molecular Weight |
312.304
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| Canonical SMILES |
Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)C1CC1
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| InChI |
InChI=1S/C16H13FN4O2/c17-8-3-9-13-10(4-8)18-11-5-21(16(23)7-1-2-7)6-12(14(11)13)19-20-15(9)22/h3-4,7,18H,1-2,5-6H2,(H,20,22)
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| InChIKey |
MGLRPCROOKIUAR-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