General Information of the Compound
| Compound ID |
CP0234933
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| Compound Name |
N-(1,4-dioxan-2-ylmethyl)-3-[3-(4-methylsulfonylphenyl)-1H-1,2,4-triazol-5-yl]pyridin-2-amine
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| Structure |
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| Formula |
C19H21N5O4S
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| Molecular Weight |
415.475
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1nnc([nH]1)-c1cccnc1NCC1COCCO1
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| InChI |
InChI=1S/C19H21N5O4S/c1-29(25,26)15-6-4-13(5-7-15)17-22-19(24-23-17)16-3-2-8-20-18(16)21-11-14-12-27-9-10-28-14/h2-8,14H,9-12H2,1H3,(H,20,21)(H,22,23,24)
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| InChIKey |
VPHZTEPWKIHNDE-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