General Information of the Compound
| Compound ID |
CP0437363
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| Compound Name |
6-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
CN(c1ccc2OCCOc2c1)c1cc(ncn1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H25N3O2/c1-23(2,3)17-7-5-16(6-8-17)19-14-22(25-15-24-19)26(4)18-9-10-20-21(13-18)28-12-11-27-20/h5-10,13-15H,11-12H2,1-4H3
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| InChIKey |
MVDVGIXKGPAUIJ-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