General Information of the Compound
| Compound ID |
CP0500418
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| Compound Name |
4-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)-c1ccnc(Nc2ccc3OCCOc3c2)n1
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| InChI |
InChI=1S/C22H23N3O2/c1-22(2,3)16-6-4-15(5-7-16)18-10-11-23-21(25-18)24-17-8-9-19-20(14-17)27-13-12-26-19/h4-11,14H,12-13H2,1-3H3,(H,23,24,25)
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| InChIKey |
CCSHHOSWJAFQQA-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