General Information of the Compound
| Compound ID |
CP0416480
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| Compound Name |
4-amino-N-[1-(3,4-difluorophenyl)azetidin-3-yl]-3-methylbenzotriazole-5-carboxamide
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| Structure |
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| Formula |
C17H16F2N6O
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| Molecular Weight |
358.352
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| Canonical SMILES |
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
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| InChI |
InChI=1S/C17H16F2N6O/c1-24-16-14(22-23-24)5-3-11(15(16)20)17(26)21-9-7-25(8-9)10-2-4-12(18)13(19)6-10/h2-6,9H,7-8,20H2,1H3,(H,21,26)
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| InChIKey |
HIHLWOFGASMNKN-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