General Information of the Compound
| Compound ID |
CP0077818
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| Compound Name |
CL-287389
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| Synonyms |
3,5-Pyridinedicarboxylic acid, 2-cyano-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-methyl 5-(1-methylethyl) ester
5-Isopropyl 3-methyl 2-cyano-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
75530-68-6
ARC029
BRN 3572609
C19H19N3O6
CL 287,389
CL-287389
Escor
F 102,362
F-102362
FAIIFDPAEUKBEP-UHFFFAOYSA-N
FK 235
FK-235
FR 34235
FR-34235
NCGC00167435-01
NILVADIPINE
Nilvadipine
Nilvadipine (ARC029)
Nilvadipine [USAN:INN:JAN]
Nilvadipino
Nilvadipino [Spanish]
Nilvadipinum [Latin]
Nivadil
Nivadipine
nilvadipine
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| Structure |
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| Formula |
C19H19N3O6
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| Molecular Weight |
385.376
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| Canonical SMILES |
COC(=O)C1=C(NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)C#N
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| InChI |
InChI=1S/C19H19N3O6/c1-10(2)28-19(24)15-11(3)21-14(9-20)17(18(23)27-4)16(15)12-6-5-7-13(8-12)22(25)26/h5-8,10,16,21H,1-4H3
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| InChIKey |
FAIIFDPAEUKBEP-UHFFFAOYSA-N
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| CAS |
75530-68-6
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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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Clinical Information about the Compound