General Information of the Compound
Compound ID
CP0483638
Compound Name
N',N'-diethyl-N-(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)propane-1,3-diamine
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Structure
Formula
C24H30N4O
Molecular Weight
390.531
Canonical SMILES
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12
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InChI
InChI=1S/C24H30N4O/c1-5-28(6-2)13-7-11-25-24-21-15-20-19-14-17(29-4)8-9-22(19)27-23(20)16(3)18(21)10-12-26-24/h8-10,12,14-15,27H,5-7,11,13H2,1-4H3,(H,25,26)
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InChIKey
PQKRMMHNSGWERE-UHFFFAOYSA-N
CAS
72238-00-7
Physicochemical Property
logP
5.33012
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
53.18
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 149478
SID: 16465966
ChEMBL ID
CHEMBL279472
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: PT00888, Mast/stem cell growth factor receptor Kit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000755 Ba/F3 c-Kit D816V Mus musculus (Mouse)  1
1
IC50 = 600 nM
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