General Information of the Compound
| Compound ID |
CP0416481
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| Compound Name |
N-[1-(2,5-dichloropyridin-4-yl)azetidin-3-yl]-3-methylbenzotriazole-5-carboxamide
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| Structure |
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| Formula |
C16H14Cl2N6O
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| Molecular Weight |
377.235
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| Canonical SMILES |
Cn1nnc2ccc(cc12)C(=O)NC1CN(C1)c1cc(Cl)ncc1Cl
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| InChI |
InChI=1S/C16H14Cl2N6O/c1-23-14-4-9(2-3-12(14)21-22-23)16(25)20-10-7-24(8-10)13-5-15(18)19-6-11(13)17/h2-6,10H,7-8H2,1H3,(H,20,25)
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| InChIKey |
BFTIMHUIJDPDLU-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