General Information of the Compound
| Compound ID |
CP0531668
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| Compound Name |
US8962612, 81
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| Structure |
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| Formula |
C16H15F2N5O
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| Molecular Weight |
331.326
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| Canonical SMILES |
NC(N)=NC(=O)N1CCc2cccc(c2C1)-c1ncc(F)cc1F
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| InChI |
InChI=1S/C16H15F2N5O/c17-10-6-13(18)14(21-7-10)11-3-1-2-9-4-5-23(8-12(9)11)16(24)22-15(19)20/h1-3,6-7H,4-5,8H2,(H4,19,20,22,24)
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| InChIKey |
MHHZYOAQRLXCDU-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