General Information of the Compound
| Compound ID |
CP0338778
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| Compound Name |
US10501467, Example 8
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| Structure |
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| Formula |
C14H12FN3O
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| Molecular Weight |
257.268
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| Canonical SMILES |
Fc1cc2[nH]c3CCCCc4n[nH]c(=O)c(c1)c2c34
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| InChI |
InChI=1S/C14H12FN3O/c15-7-5-8-12-11(6-7)16-9-3-1-2-4-10(13(9)12)17-18-14(8)19/h5-6,16H,1-4H2,(H,18,19)
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| InChIKey |
LIYLVRUTQRQGPO-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