General Information of the Compound
| Compound ID |
CP0547631
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| Compound Name |
US8962612, 69
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| Structure |
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| Formula |
C18H17F3N4O
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| Molecular Weight |
362.355
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| Canonical SMILES |
CC1CN(Cc2c(ccc(F)c12)-c1c(F)cccc1F)C(=O)N=C(N)N
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| InChI |
InChI=1S/C18H17F3N4O/c1-9-7-25(18(26)24-17(22)23)8-11-10(5-6-14(21)15(9)11)16-12(19)3-2-4-13(16)20/h2-6,9H,7-8H2,1H3,(H4,22,23,24,26)
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| InChIKey |
JOGVLNOXGLEQHG-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