General Information of the Compound
| Compound ID |
CP0512698
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| Compound Name |
N-benzyl-4-(cyclopropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C25H34N6O2
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| Molecular Weight |
450.587
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| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC2CCCOC2)CC1
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| InChI |
InChI=1S/C25H34N6O2/c32-24(26-15-19-5-2-1-3-6-19)22-16-27-25(29-23(22)28-21-8-9-21)31-12-10-30(11-13-31)17-20-7-4-14-33-18-20/h1-3,5-6,16,20-21H,4,7-15,17-18H2,(H,26,32)(H,27,28,29)
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| InChIKey |
HVMJQIUPXKXGJP-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