General Information of the Compound
Compound ID
CP0858321
Compound Name
cilazapril
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Synonyms
(1S,9S)-9-(((S)-1-Carboxy-3-phenylpropyl)amino)octahydro-10-oxo-6H-pyridazino(1,2-a)(1,2)diazepine-1-carboxylic acid 9-ethyl estermonohydrate
(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid
(4S,7S)-7-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-6-oxo-1,2,3,4,7,8,9,10-octahydropyridazino[1,2-a]diazepine-4-carboxylic acid hydrate
CILAZAPRIL MONOHYDRATE
Cilazapril
Cilazapril (INN)
Cilazapril (USAN)
Cilazapril (anhydrous)
Cilazapril [USAN:INN:BAN:JAN]
Cilazapril anhydrous;Cilazapril hydrate
Cilazapril hydrate (JAN)
Cilazapril, Anhydrous
Cilazaprilum
Cilazaprilum [Latin]
Cilazil
Dynorm
Inhibace
Inhibace (TN)
Inibace
Justor
Ro 31-2848
Ro 31-2848 monohydrate
Ro 34-2848
Ro-31-2848
Ro-312848
Vascace
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Structure
Formula
C22H31N3O5
Molecular Weight
417.506
Canonical SMILES
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
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InChI
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1
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InChIKey
HHHKFGXWKKUNCY-FHWLQOOXSA-N
CAS
88768-40-5
Physicochemical Property
logP
1.5955
Rotatable Bonds
8
Heavy Atom Count
30
Polar Areas
99.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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).

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PubChem ID
CID: 56330
SID: 12013515
ChEMBL ID
CHEMBL515606
DrugBank ID
DB01340
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02186, Liver carboxylesterase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
Km = 1295000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cilazapril )
Drug Name Cilazapril
Indication
Congestive heart failure
Approved
Target(s)
Angiotensin-converting enzyme (ACE)
Inhibitor