General Information of the Compound
| Compound ID |
CP0052856
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| Compound Name |
6-(2-{(2-Hydroxy-ethyl)-[3-(4-nitro-phenyl)-propyl]-amino}-ethylamino)-1,3-dimethyl-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C19H27N5O5
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| Molecular Weight |
405.455
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| Canonical SMILES |
Cn1c(NCCN(CCO)CCCc2ccc(cc2)[N+]([O-])=O)cc(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H27N5O5/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29/h5-8,14,20,25H,3-4,9-13H2,1-2H3
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| InChIKey |
OEBPANQZQGQPHF-UHFFFAOYSA-N
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| CAS |
130636-43-0
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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: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT04591, Solute carrier family 22 member 2