General Information of the Compound
| Compound ID |
CP0177256
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| Compound Name |
US9505765, 194
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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 |
NC(=O)\C=C\c1c[nH]c2ncnc(OCc3cccc(F)c3)c12
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| InChI |
InChI=1S/C16H13FN4O2/c17-12-3-1-2-10(6-12)8-23-16-14-11(4-5-13(18)22)7-19-15(14)20-9-21-16/h1-7,9H,8H2,(H2,18,22)(H,19,20,21)/b5-4+
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| InChIKey |
KFTLSWHJVMUFGV-SNAWJCMRSA-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