General Information of the Compound
| Compound ID |
CP0368567
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| Compound Name |
4-amino-N-[1-(5-chloro-2-methoxypyridin-4-yl)azetidin-3-yl]-3-methylbenzotriazole-5-carboxamide
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| Structure |
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| Formula |
C17H18ClN7O2
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| Molecular Weight |
387.831
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| Canonical SMILES |
COc1cc(N2CC(C2)NC(=O)c2ccc3nnn(C)c3c2N)c(Cl)cn1
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| InChI |
InChI=1S/C17H18ClN7O2/c1-24-16-12(22-23-24)4-3-10(15(16)19)17(26)21-9-7-25(8-9)13-5-14(27-2)20-6-11(13)18/h3-6,9H,7-8,19H2,1-2H3,(H,21,26)
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| InChIKey |
XVKPULKSCSUMTD-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