General Information of the Compound
| Compound ID |
CP0435883
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| Compound Name |
4-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrimidine
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| Structure |
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| Formula |
C23H24N2O2
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| Molecular Weight |
360.457
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1cc(Cc2ccc3OCCOc3c2)ncn1
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| InChI |
InChI=1S/C23H24N2O2/c1-23(2,3)18-7-5-17(6-8-18)20-14-19(24-15-25-20)12-16-4-9-21-22(13-16)27-11-10-26-21/h4-9,13-15H,10-12H2,1-3H3
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| InChIKey |
JXVJBWRJQBMXHZ-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