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[ CAS No. 923564-51-6 ] {[proInfo.proName]}

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Chemical Structure| 923564-51-6
Chemical Structure| 923564-51-6
Structure of 923564-51-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 923564-51-6 ]

CAS No. :923564-51-6 MDL No. :MFCD12756219
Formula : C47H55ClF3N5O6S3 Boiling Point : -
Linear Structure Formula :- InChI Key :JLYAXFNOILIKPP-KXQOOQHDSA-N
M.W : 974.61 Pubchem ID :24978538
Synonyms :
ABT-263;A-855071

Calculated chemistry of [ 923564-51-6 ]

Physicochemical Properties

Num. heavy atoms : 65
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.43
Num. rotatable bonds : 18
Num. H-bond acceptors : 11.0
Num. H-bond donors : 2.0
Molar Refractivity : 262.67
TPSA : 170.42 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 6.53
Log Po/w (XLOGP3) : 9.58
Log Po/w (WLOGP) : 10.92
Log Po/w (MLOGP) : 4.4
Log Po/w (SILICOS-IT) : 7.41
Consensus Log Po/w : 7.77

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 2.0
Egan : 2.0
Muegge : 5.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -11.0
Solubility : 0.0000000097 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -13.07
Solubility : 0.0000000001 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -14.6
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.88

Safety of [ 923564-51-6 ]

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:
Same Skeleton Products
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