General Information of the Compound
Compound ID
CP0906448
Compound Name
(S)-5-methyl-1-(pyridin-3-ylmethyl)-3-(4-(trifluoromethylsulfonyl)phenyl)imidazolidine-2,4-dione
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Structure
Formula
C17H14F3N3O4S
Molecular Weight
413.377
Canonical SMILES
C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1cccnc1
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InChI
InChI=1S/C17H14F3N3O4S/c1-11-15(24)23(16(25)22(11)10-12-3-2-8-21-9-12)13-4-6-14(7-5-13)28(26,27)17(18,19)20/h2-9,11H,10H2,1H3/t11-/m0/s1
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InChIKey
ZFNZOKGWSPCWFR-NSHDSACASA-N
Physicochemical Property
logP
2.7324
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
87.65
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 54584370
ChEMBL ID
CHEMBL1762181
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: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 79700 nM
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