General Information of the Compound
| Compound ID |
CP0892083
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| Compound Name |
3-Isopropyl 5-methyl 2-amino-6-methyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
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| Structure |
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| Formula |
C18H20N2O7
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| Molecular Weight |
376.365
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| Canonical SMILES |
COC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C18H20N2O7/c1-9(2)26-18(22)15-14(11-6-5-7-12(8-11)20(23)24)13(17(21)25-4)10(3)27-16(15)19/h5-9,14H,19H2,1-4H3
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| InChIKey |
BJAAKWGGMVPQSS-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