General Information of the Compound
| Compound ID |
CP0451087
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| Compound Name |
2-(4-benzylpiperazin-1-yl)-4-(2-methylpropylamino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H33N7O
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| Molecular Weight |
459.598
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| Canonical SMILES |
CC(C)CNc1nc(ncc1C(=O)NCc1cccnc1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H33N7O/c1-20(2)15-28-24-23(25(34)29-17-22-9-6-10-27-16-22)18-30-26(31-24)33-13-11-32(12-14-33)19-21-7-4-3-5-8-21/h3-10,16,18,20H,11-15,17,19H2,1-2H3,(H,29,34)(H,28,30,31)
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| InChIKey |
WGVJYHYDVDOLQK-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