General Information of the Compound
Compound ID
CP0765642
Compound Name
SID24822490
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Structure
Formula
C11H10ClNO2
Molecular Weight
223.659
Canonical SMILES
COc1ccc2[nH]cc(C(=O)CCl)c2c1
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InChI
InChI=1S/C11H10ClNO2/c1-15-7-2-3-10-8(4-7)9(6-13-10)11(14)5-12/h2-4,6,13H,5H2,1H3
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InChIKey
QBFUNASXZRQFBJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.598
Rotatable Bonds
3
Heavy Atom Count
15
Polar Areas
42.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 931413
SID: 15912498
ChEMBL ID
CHEMBL1586895
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 ~ 12995.3 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 ~ 5804.8 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 = 17402 nM
   TI
   LI
   LO
   TS