General Information of the Compound
Compound ID
CP0888973
Compound Name
SID50125813
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Synonyms
(1-methylpiperidin-4-yl) 2,2-diphenyl-2-propoxyacetate hydrochloride
54556-98-8
AC1L9B4A
BCP09576
Bup-4 (TN)
C23H29NO3.HCl
CAS-54556-98-8
CHEBI:8494
CHEMBL2359059
DC4GZD10H3
DSSTox_CID_26847
DSSTox_GSID_46847
DSSTox_RID_81957
DTXSID1046847
KFUJMHHNLGCTIJ-UHFFFAOYSA-N
Mictonetten
Mictonorm
Mictonorm (TN)
NCGC00181103-01
NSC172140
Pollarine
Propiverine
Propiverine HCl
Propiverine Hydrochlorride
Propiverine hydrochloride (JP17)
SCHEMBL1034248
Tox21_112719
UNII-DC4GZD10H3
propiverin hydrochloride
propiverine hydrochloride
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Structure
Formula
C23H29NO3
Molecular Weight
367.489
Canonical SMILES
CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3
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InChIKey
QPCVHQBVMYCJOM-UHFFFAOYSA-N
CAS
60569-19-9
Physicochemical Property
logP
3.9942
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 4942
SID: 14755156
ChEMBL ID
CHEMBL1078261
DrugBank ID
DB12278
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 29855.4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Propiverine )
Drug Name Propiverine
Indication
Urinary incontinence
Approved
Target(s)
Muscarinic acetylcholine receptor M5 (CHRM5)
 Target Info 
Antagonist