General Information of the Compound
| Compound ID |
CP0374921
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| Compound Name |
methyl 3-(2-methylpropanoyl)-4-(3-nitrophenyl)-2-oxo-6-propan-2-yl-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C19H23N3O6
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| Molecular Weight |
389.408
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| Canonical SMILES |
COC(=O)C1=C(NC(=O)N(C1c1cccc(c1)[N+]([O-])=O)C(=O)C(C)C)C(C)C
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| InChI |
InChI=1S/C19H23N3O6/c1-10(2)15-14(18(24)28-5)16(12-7-6-8-13(9-12)22(26)27)21(19(25)20-15)17(23)11(3)4/h6-11,16H,1-5H3,(H,20,25)
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| InChIKey |
VZKTUIHVVJVDPO-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