General Information of the Compound
| Compound ID |
CP0189487
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| Compound Name |
N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
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| Synonyms |
PF 4840154
PF-4840154
PF4840154
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| Structure |
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| Formula |
C26H38N6O2
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| Molecular Weight |
466.63
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| Canonical SMILES |
CC(C)CNc1nc(ncc1C(=O)NCc1ccccc1)N1CCN(CC2CCCOC2)CC1
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| InChI |
InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
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| InChIKey |
PPANZCQXFYBGHN-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Clinical Information about the Compound