General Information of the Compound
| Compound ID |
CP0397647
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| Compound Name |
5-O-methyl 3-O-propan-2-yl 6-methyl-2-methylimino-4-(3-nitrophenyl)-1,4-dihydropyrimidine-3,5-dicarboxylate
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| Structure |
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| Formula |
C18H22N4O6
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| Molecular Weight |
390.396
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| Canonical SMILES |
CNC1=NC(C)=C(C(N1C(=O)OC(C)C)c1cccc(c1)[N+]([O-])=O)C(=O)OC
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| InChI |
InChI=1S/C18H22N4O6/c1-10(2)28-18(24)21-15(12-7-6-8-13(9-12)22(25)26)14(16(23)27-5)11(3)20-17(21)19-4/h6-10,15H,1-5H3,(H,19,20)
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| InChIKey |
MPCUTGXKOHUUSY-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