General Information of the Compound
Compound ID
CP0704926
Compound Name
3-benzyl-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
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Structure
Formula
C25H23N3O3
Molecular Weight
413.477
Canonical SMILES
NC(=O)c1cc(Cc2ccccc2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
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InChI
InChI=1S/C25H23N3O3/c26-24(29)21-14-17(12-16-4-2-1-3-5-16)13-20-19-15-18(6-7-22(19)27-23(20)21)25(30)28-8-10-31-11-9-28/h1-7,13-15,27H,8-12H2,(H2,26,29)
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InChIKey
UYZNAHKDOOCZJI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4832
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
88.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 66604576
ChEMBL ID
CHEMBL3589172
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 = 210 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM