General Information of the Compound
Compound ID
CP0559553
Compound Name
MLS002153782
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Synonyms
2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)propanol
4-[2-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
DU-21220
Erythro-p-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol
P-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol
Prepar
RITODRINE HCL
Ritodrina
Ritodrina [INN-Spanish]
Ritodrine
Ritodrine (USAN/INN)
Ritodrine [USAN:BAN:INN]
Ritodrinium
Ritodrinium [INN-Latin]
Utopar
Yutopar
Yutopar (TN)
Yutopar S.R
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Structure
Formula
C17H21NO3
Molecular Weight
287.359
Canonical SMILES
C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
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InChI
InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
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InChIKey
IOVGROKTTNBUGK-SJCJKPOMSA-N
CAS
26652-09-5
Physicochemical Property
logP
2.352
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
72.72
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 33572
SID: 14922364
ChEMBL ID
CHEMBL785
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: PT06796, POU domain, class 2, transcription factor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 1670 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Ritodrine )
Drug Name Ritodrine
Indication
Premature labour
Approved
Target(s)
Adrenergic receptor beta-2 (ADRB2)
 Target Info 
Modulator