General Information of the Compound
Compound ID
CP0388081
Compound Name
MIMOSAMYCIN
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Structure
Formula
C13H13NO4
Molecular Weight
247.25
Canonical SMILES
COC1=C(C)C(=O)c2cc(=O)n(C)c(C)c2C1=O
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InChI
InChI=1S/C13H13NO4/c1-6-11(16)8-5-9(15)14(3)7(2)10(8)12(17)13(6)18-4/h5H,1-4H3
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InChIKey
ZYWCMKYDEGVQCK-UHFFFAOYSA-N
Physicochemical Property
logP
0.99312
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
65.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
18

"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: 44566893
ChEMBL ID
CHEMBL509316
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: PT03628, Endothelial PAS domain-containing protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000244 786-O Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS