General Information of the Compound
Compound ID
CP0765341
Compound Name
7-(morpholine-4-carbonyl)-3-phenyl-9H-carbazole-1-carboxamide
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Structure
Formula
C24H21N3O3
Molecular Weight
399.45
Canonical SMILES
NC(=O)c1cc(-c2ccccc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
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InChI
InChI=1S/C24H21N3O3/c25-23(28)20-13-17(15-4-2-1-3-5-15)12-19-18-7-6-16(14-21(18)26-22(19)20)24(29)27-8-10-30-11-9-27/h1-7,12-14,26H,8-11H2,(H2,25,28)
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InChIKey
SPGRUCFUUOACKT-UHFFFAOYSA-N
Physicochemical Property
logP
3.5594
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
88.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 66605009
ChEMBL ID
CHEMBL3589174
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 = 170 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7.4 nM