General Information of the Compound
| Compound ID |
CP0397760
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| Compound Name |
tert-butyl 5-methyl-2,4-dioxo-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-1-carboxylate
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| Structure |
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| Formula |
C25H35N3O5
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| Molecular Weight |
457.571
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| Canonical SMILES |
Cc1cn(C(=O)OC(C)(C)C)c(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O
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| InChI |
InChI=1S/C25H35N3O5/c1-19-17-28(24(31)33-25(2,3)4)23(30)27(22(19)29)18-20-9-11-21(12-10-20)32-16-8-15-26-13-6-5-7-14-26/h9-12,17H,5-8,13-16,18H2,1-4H3
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| InChIKey |
PLPHKSRHAHHVJH-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