General Information of the Compound
Compound ID
CP0708678
Compound Name
SID22415769
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Structure
Formula
C24H24ClN3O3
Molecular Weight
437.927
Canonical SMILES
CN(C)CCNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1
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InChI
InChI=1S/C24H24ClN3O3/c1-28(2)15-14-26-24(30)21(27-23(29)18-6-4-3-5-7-18)16-20-12-13-22(31-20)17-8-10-19(25)11-9-17/h3-13,16H,14-15H2,1-2H3,(H,26,30)(H,27,29)/b21-16-
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InChIKey
WDIVNGNSTQACEP-PGMHBOJBSA-N
Physicochemical Property
logP
4.0487
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
74.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 2131824
ChEMBL ID
CHEMBL1540446
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 ~ 25929 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 = 20381 nM
   TI
   LI
   LO
   TS