General Information of the Compound
Compound ID |
CP0405907
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Compound Name |
propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylate
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Structure |
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Formula |
C16H19N3O4S
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Molecular Weight |
349.412
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Canonical SMILES |
CSC1=NC(C(C(=O)OC(C)C)=C(C)N1)c1cccc(c1)[N+]([O-])=O
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InChI |
InChI=1S/C16H19N3O4S/c1-9(2)23-15(20)13-10(3)17-16(24-4)18-14(13)11-6-5-7-12(8-11)19(21)22/h5-9,14H,1-4H3,(H,17,18)
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InChIKey |
YUORQZNVVXGLHT-UHFFFAOYSA-N
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CAS |
5573-19-3
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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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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