General Information of the Compound
Compound ID
CP0364833
Compound Name
1-(9-carbazolyl)-3-[(2-methoxyphenyl)methylamino]-2-propanol
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Structure
Formula
C23H24N2O2
Molecular Weight
360.457
Canonical SMILES
COc1ccccc1CNCC(O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C23H24N2O2/c1-27-23-13-7-2-8-17(23)14-24-15-18(26)16-25-21-11-5-3-9-19(21)20-10-4-6-12-22(20)25/h2-13,18,24,26H,14-16H2,1H3
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InChIKey
JFNQPYACHVDAKM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9538
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
46.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 3422206
ChEMBL ID
CHEMBL1416329
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 20596.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT06033, Microphthalmia-associated transcription factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000242 SK-MEL-5 Homo sapiens (Human)  1
1
AC50 = 19048 nM
   TI
   LI
   LO
   TS