General Information of the Compound
| Compound ID |
CP0539989
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| Compound Name |
US9163015, 51
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| Structure |
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| Formula |
C13H10ClFN4
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| Molecular Weight |
276.702
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| Canonical SMILES |
Fc1ccc(CNc2n[nH]c3cccnc23)cc1Cl
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| InChI |
InChI=1S/C13H10ClFN4/c14-9-6-8(3-4-10(9)15)7-17-13-12-11(18-19-13)2-1-5-16-12/h1-6H,7H2,(H2,17,18,19)
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| InChIKey |
RBRTYAMQYDHHJU-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