General Information of the Compound
| Compound ID |
CP0321891
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| Compound Name |
US9505765, 199
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| Structure |
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| Formula |
C15H16F2N4O2
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| Molecular Weight |
322.315
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| Canonical SMILES |
NC(=O)\C=C\c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12
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| InChI |
InChI=1S/C15H16F2N4O2/c16-15(17)5-3-10(4-6-15)23-14-12-9(1-2-11(18)22)7-19-13(12)20-8-21-14/h1-2,7-8,10H,3-6H2,(H2,18,22)(H,19,20,21)/b2-1+
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| InChIKey |
IIBQLYSZHMEQIH-OWOJBTEDSA-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