General Information of the Compound
| Compound ID |
CP0522660
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| Compound Name |
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1ncnc(Nc2ccc3OCCOc3c2)n1
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| InChI |
InChI=1S/C21H22N4O2/c1-21(2,3)15-6-4-14(5-7-15)19-22-13-23-20(25-19)24-16-8-9-17-18(12-16)27-11-10-26-17/h4-9,12-13H,10-11H2,1-3H3,(H,22,23,24,25)
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| InChIKey |
BRWGMRBEFSENTP-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1