General Information of the Compound
| Compound ID |
CP0275613
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| Compound Name |
US10501467, Example 17
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| Structure |
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| Formula |
C13H10FN3O
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| Molecular Weight |
243.241
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| Canonical SMILES |
Fc1ccc2c3c1[nH]c1CCCc(n[nH]c2=O)c31
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| InChI |
InChI=1S/C13H10FN3O/c14-7-5-4-6-10-11-8(15-12(7)10)2-1-3-9(11)16-17-13(6)18/h4-5,15H,1-3H2,(H,17,18)
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| InChIKey |
DJZURNHBTYEZHC-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