General Information of the Compound
Compound ID
CP0120363
Compound Name
(1aS,7E,7aS)-7-hydroxyimino-N-phenyl-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
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Structure
Formula
C17H14N2O3
Molecular Weight
294.31
Canonical SMILES
O\N=C1/[C@@H]2C[C@@]2(Oc2ccccc12)C(=O)Nc1ccccc1
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InChI
InChI=1S/C17H14N2O3/c20-16(18-11-6-2-1-3-7-11)17-10-13(17)15(19-21)12-8-4-5-9-14(12)22-17/h1-9,13,21H,10H2,(H,18,20)/b19-15-/t13-,17-/m0/s1
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InChIKey
FPXPIEZPAXSELW-RGNAGUPPSA-N
Physicochemical Property
logP
2.6547
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
70.92
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44572113
ChEMBL ID
CHEMBL507522
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2030 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2820 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 2250 nM
   TI
   LI
   LO
   TS
2
EC50 = 2500 nM
   TI
   LI
   LO
   TS
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 3100 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 4740 nM
   TI
   LI
   LO
   TS
2
EC50 > 5000 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 5000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1400 nM