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[ CAS No. 56265-06-6 ] {[proInfo.proName]}

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Chemical Structure| 56265-06-6
Chemical Structure| 56265-06-6
Structure of 56265-06-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 56265-06-6 ]

CAS No. :56265-06-6 MDL No. :MFCD17976754
Formula : C11H21N5O5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :UYCAGRPOUWSBIQ-WOYAITHZSA-N
M.W : 303.31 Pubchem ID :198346
Synonyms :
Chemical Name :5-Oxo-L-proline L-arginine salt

Calculated chemistry of [ 56265-06-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.64
Num. rotatable bonds : 7
Num. H-bond acceptors : 7.0
Num. H-bond donors : 7.0
Molar Refractivity : 77.26
TPSA : 191.62 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -11.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.12
Log Po/w (XLOGP3) : -4.59
Log Po/w (WLOGP) : -2.37
Log Po/w (MLOGP) : -4.1
Log Po/w (SILICOS-IT) : -1.61
Consensus Log Po/w : -2.56

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.63
Solubility : 13000.0 mg/ml ; 43.0 mol/l
Class : Highly soluble
Log S (Ali) : 1.19
Solubility : 4670.0 mg/ml ; 15.4 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.06
Solubility : 348.0 mg/ml ; 1.15 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.09

Safety of [ 56265-06-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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