General Information of the Compound
Compound ID
CP0183736
Compound Name
3-(3-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
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Structure
Formula
C26H26N4O3
Molecular Weight
442.519
Canonical SMILES
COc1cccc(c1)-c1cc(C(N)=O)c2[nH]c3ccc(cc3c2c1)C(=O)N1CCN(C)CC1
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InChI
InChI=1S/C26H26N4O3/c1-29-8-10-30(11-9-29)26(32)17-6-7-23-20(13-17)21-14-18(15-22(25(27)31)24(21)28-23)16-4-3-5-19(12-16)33-2/h3-7,12-15,28H,8-11H2,1-2H3,(H2,27,31)
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InChIKey
YVYPLXQTNBRTDY-UHFFFAOYSA-N
Physicochemical Property
logP
3.4832
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
91.66
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 66605756
ChEMBL ID
CHEMBL3589171
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000224 SET-2 Homo sapiens (Human)  1
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.5 nM