General Information of the Compound
Compound ID
CP0389535
Compound Name
2-chloranyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)ethanamide
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Structure
Formula
C15H17ClN2O
Molecular Weight
276.767
Canonical SMILES
Cc1ccc2[nH]c3C(CCCc3c2c1)NC(=O)CCl
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InChI
InChI=1S/C15H17ClN2O/c1-9-5-6-12-11(7-9)10-3-2-4-13(15(10)18-12)17-14(19)8-16/h5-7,13,18H,2-4,8H2,1H3,(H,17,19)
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InChIKey
CCDQWKGFAZYRLI-UHFFFAOYSA-N
Physicochemical Property
logP
3.20872
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
1
Complexity
19

"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: 2834638
SID: 16523051
ChEMBL ID
CHEMBL1441122
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 ~ 8199.5 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 ~ 1299.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 35687 nM
   TI
   LI
   LO
   TS