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[ CAS No. 1910124-24-1 ] {[proInfo.proName]}

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Chemical Structure| 1910124-24-1
Chemical Structure| 1910124-24-1
Structure of 1910124-24-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1910124-24-1 ]

CAS No. :1910124-24-1 MDL No. :MFCD30489734
Formula : C22H27N5O3 Boiling Point : -
Linear Structure Formula :- InChI Key :FQWDVNSBYDXPIO-CQSZACIVSA-N
M.W : 409.48 Pubchem ID :121232405
Synonyms :
Chemical Name :(R)-N-(1,3-Dimethyl-6-(2-methylpiperazin-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)-2-methoxybenzamide

Calculated chemistry of [ 1910124-24-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.36
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 125.59
TPSA : 80.53 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.76
Log Po/w (XLOGP3) : 1.64
Log Po/w (WLOGP) : 0.98
Log Po/w (MLOGP) : 1.61
Log Po/w (SILICOS-IT) : 1.43
Consensus Log Po/w : 1.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.45
Solubility : 0.145 mg/ml ; 0.000353 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.466 mg/ml ; 0.00114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.16
Solubility : 0.00287 mg/ml ; 0.000007 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.45

Safety of [ 1910124-24-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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