General Information of the Compound
Compound ID
CP0573483
Compound Name
(2S,3R)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
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Structure
Formula
C8H16BNO4
Molecular Weight
201.031
Canonical SMILES
OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O
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InChI
InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1
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InChIKey
AMHQFAXDSRWEOU-RQJHMYQMSA-N
Physicochemical Property
logP
-0.6979
Rotatable Bonds
5
Heavy Atom Count
14
Polar Areas
89.79
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 146970397
ChEMBL ID
CHEMBL4858437
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: PT02475, Arginase-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 16 nM