General Information of the Compound
| Compound ID |
CP0085391
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| Compound Name |
2'-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)-3-methylbiphenyl-4-carboxylic acid hemisulfate
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| Synonyms |
(1,1'-Biphenyl)-4-carboxylic acid, 2'-((1R)-1-((2R)-3-((2-(4-chloro-3-fluorophenyl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)ethyl)-3-methyl-
2''-((1R)-1-{(2R)-3-[1-(4-Chloro-3-fluorophenyl)-2-methylpropan-2-ylamino]-2-hydroxypropoxy}ethyl)-3-methylbiphenyl-4-carboxylic acid hemisulfate
2'-((1R)-1-(((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-(2R)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic acid
2'-((1R)-1-(((2R)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropyl)oxy)ethyl)-3-methyl-1,1'-biphenyl-4-carboxylic acid
2'-((1R)-1-((2R)-3-((1-(4-CHLORO-3-FLUOROPHENYL)-2-METHYLPROPAN-2-YL)AMINO)-2-HYDROXYPROPOXY)ETHYL)-3-METHYL(1,1'-BIPHENYL)-4-CARBOXYLIC ACID
4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid
787583-71-5
AKOS040751679
BDBM50337103
CHEMBL1672973
CLTX-305
CLTX305
D10068
EF8081AQ6G
ENCALERET
ENCALERET [USAN]
ENCALERET [WHO-DD]
Encaleret
Encaleret (USAN)
Encaleret [INN]
Encaleret [USAN:INN]
GTPL9474
MK-5442
Q27277151
SCHEMBL482046
UNII-EF8081AQ6G
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| Structure |
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| Formula |
C29H33ClFNO4
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| Molecular Weight |
514.037
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| Canonical SMILES |
C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccccc1-c1ccc(C(O)=O)c(C)c1
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| InChI |
InChI=1S/C29H33ClFNO4/c1-18-13-21(10-11-23(18)28(34)35)25-8-6-5-7-24(25)19(2)36-17-22(33)16-32-29(3,4)15-20-9-12-26(30)27(31)14-20/h5-14,19,22,32-33H,15-17H2,1-4H3,(H,34,35)/t19-,22-/m1/s1
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| InChIKey |
UNFHDRVFEQPUEL-DENIHFKCSA-N
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| CAS |
787583-71-5
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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
Clinical Information about the Compound
Drug 1 ( MK-5442 )
| Drug Name | MK-5442 | ||
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| Company | Merck | ||
| Indication | |||
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