General Information of the Compound
Compound ID
CP0234556
Compound Name
4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
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Synonyms
(+/-)-Nutlin3
4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
4-({4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one
4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
548472-68-0
890090-75-2
CHEMBL211045
MDM2 Antagonist, Nutlin-3, Racemic
NUTLIN-3
Nutlin 3(Random Configuration)
Nutlin-3
nutlin 3
nutlin-3A
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Structure
Formula
C30H30Cl2N4O4
Molecular Weight
581.5
Canonical SMILES
COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
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InChI
InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)
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InChIKey
BDUHCSBCVGXTJM-UHFFFAOYSA-N
CAS
548472-68-0
Physicochemical Property
logP
5.8858
Rotatable Bonds
6
Heavy Atom Count
40
Polar Areas
83.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
40

"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: 216345
SID: 15261046
ChEMBL ID
CHEMBL211045
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: PT01771, E3 ubiquitin-protein ligase Mdm2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 104.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 180 nM
2 Kd = 240 nM
3 Ki = 280 nM
Clinical Information about the Compound
Drug 1 ( NUTLIN-3 )
Drug Name NUTLIN-3
Target(s)
Mdm2 messenger RNA (MDM2 mRNA)
 Target Info 
Inhibitor
Cellular tumor antigen p53 (TP53)
 Target Info 
Inhibitor