General Information of the Compound
| Compound ID |
CP0072914
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| Compound Name |
US20230414632, Compound I-e
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| Synonyms |
(+-)-Isobutyl methyl 1,4-dihydro-2,6-dimethyl-4-(o-nitrophenyl)-3,5-pyridinedicarboxylate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, methyl 2-methylpropyl ester
3-O-methyl 5-O-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Bay k 5552
Bay-k-5552
Baymycard
Isobutyl 1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridincarboxylat;Methyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Nisocor
Nisoldipin
Nisoldipine
Nisoldipine (JAN/USAN/INN)
Nisoldipine [USAN:BAN:INN:JAN]
Nisoldipino
Nisoldipino [INN-Spanish]
Nisoldipinum
Nisoldipinum [INN-Latin]
Sular
Sular (TN)
Syscor
Zadipina
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| Structure |
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| Formula |
C20H24N2O6
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| Molecular Weight |
388.42
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1N(=O)=O)C(=O)OCC(C)C
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| InChI |
InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3
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| InChIKey |
VKQFCGNPDRICFG-UHFFFAOYSA-N
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| CAS |
63675-72-9
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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: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT04542, Bile salt export pump
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT06109, Geminin
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Clinical Information about the Compound