General Information of the Compound
| Compound ID |
CP0486061
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| Compound Name |
US8962612, 62
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| Structure |
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| Formula |
C16H14Cl2FN5O
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| Molecular Weight |
382.226
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| Canonical SMILES |
NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1ncc(Cl)cc1Cl
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| InChI |
InChI=1S/C16H14Cl2FN5O/c17-8-5-12(18)14(22-6-8)10-1-2-13(19)9-3-4-24(7-11(9)10)16(25)23-15(20)21/h1-2,5-6H,3-4,7H2,(H4,20,21,23,25)
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| InChIKey |
YIRLFJUXAOSXDV-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