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[ CAS No. 143797-62-0 ] {[proInfo.proName]}

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Chemical Structure| 143797-62-0
Chemical Structure| 143797-62-0
Structure of 143797-62-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 143797-62-0 ]

CAS No. :143797-62-0 MDL No. :MFCD00913519
Formula : C15H15ClN4O Boiling Point : -
Linear Structure Formula :- InChI Key :IGRYPUQJEDJLHC-UHFFFAOYSA-N
M.W : 302.76 Pubchem ID :5311422
Synonyms :
SB-200646 (hydrochloride)
Chemical Name :1-(1-Methyl-1H-indol-5-yl)-3-(pyridin-3-yl)urea hydrochloride

Calculated chemistry of [ 143797-62-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.07
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 86.68
TPSA : 58.95 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.29
Log Po/w (WLOGP) : 3.64
Log Po/w (MLOGP) : 1.76
Log Po/w (SILICOS-IT) : 1.27
Consensus Log Po/w : 1.79

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.42
Solubility : 0.114 mg/ml ; 0.000376 mol/l
Class : Soluble
Log S (Ali) : -3.17
Solubility : 0.207 mg/ml ; 0.000683 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.04
Solubility : 0.00274 mg/ml ; 0.00000904 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.43

Safety of [ 143797-62-0 ]

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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