General Information of the Compound
| Compound ID |
CP0889560
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| Compound Name |
S-(+)-3-(2-cyanoethyl)5-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C20H21N3O6
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| Molecular Weight |
399.403
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCC#N)[C@H]1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C20H21N3O6/c1-4-28-19(24)16-12(2)22-13(3)17(20(25)29-10-6-9-21)18(16)14-7-5-8-15(11-14)23(26)27/h5,7-8,11,18,22H,4,6,10H2,1-3H3/t18-/m0/s1
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| InChIKey |
ZFWQAYUQDVYFTI-SFHVURJKSA-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