General Information of the Compound
| Compound ID |
CP0575553
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| Compound Name |
US8993565, 90
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| Structure |
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| Formula |
C18H17FN4O3
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| Molecular Weight |
356.357
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| Canonical SMILES |
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1C#C
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| InChI |
InChI=1S/C18H17FN4O3/c1-2-12-9-13(3-4-14(12)19)20-17(24)10-15-21-16(11-18(25)22-15)23-5-7-26-8-6-23/h1,3-4,9,11H,5-8,10H2,(H,20,24)(H,21,22,25)
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| InChIKey |
IWVXKTUZPVNMHN-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