General Information of the Compound
| Compound ID |
CP0426166
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| Compound Name |
N-benzyl-4-(cyclopropylamino)-2-[4-(2,6-difluorobenzoyl)piperazin-1-yl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H26F2N6O2
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| Molecular Weight |
492.53
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| Canonical SMILES |
Fc1cccc(F)c1C(=O)N1CCN(CC1)c1ncc(C(=O)NCc2ccccc2)c(NC2CC2)n1
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| InChI |
InChI=1S/C26H26F2N6O2/c27-20-7-4-8-21(28)22(20)25(36)33-11-13-34(14-12-33)26-30-16-19(23(32-26)31-18-9-10-18)24(35)29-15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,29,35)(H,30,31,32)
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| InChIKey |
BYUCJIDUOZDIRZ-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: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1