General Information of the Compound
Compound ID
CP0875511
Compound Name
SID24822093
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Structure
Formula
C16H13ClN2O3
Molecular Weight
316.744
Canonical SMILES
Cc1ccc2c(c1)Oc1ccc(NC(=O)CCl)cc1C(=O)N2
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InChI
InChI=1S/C16H13ClN2O3/c1-9-2-4-12-14(6-9)22-13-5-3-10(18-15(20)8-17)7-11(13)16(21)19-12/h2-7H,8H2,1H3,(H,18,20)(H,19,21)
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InChIKey
MCYVKFXWVMREIA-UHFFFAOYSA-N
Physicochemical Property
logP
3.53032
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 3744539
ChEMBL ID
CHEMBL1409606
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 ~ 2310.9 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 ~ 3662.6 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 = 9650 nM
   TI
   LI
   LO
   TS