General Information of the Compound
| Compound ID |
CP0440146
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| Compound Name |
1-O,3-O-dimethyl 5-O-propan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-4H-pyrimidine-1,3,5-tricarboxylate
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| Structure |
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| Formula |
C19H21N3O9
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| Molecular Weight |
435.389
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| Canonical SMILES |
COC(=O)N1C(C(C(=O)OC(C)C)=C(C)N(C(=O)OC)C1=O)c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C19H21N3O9/c1-10(2)31-16(23)14-11(3)20(18(25)29-4)17(24)21(19(26)30-5)15(14)12-7-6-8-13(9-12)22(27)28/h6-10,15H,1-5H3
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| InChIKey |
XBHIDAKVJKFMAW-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: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D