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[ CAS No. 61379-65-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 61379-65-5
Chemical Structure| 61379-65-5
Structure of 61379-65-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 61379-65-5 ]

CAS No. :61379-65-5 MDL No. :MFCD00866806
Formula : C47H64N4O12 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 877.03 Pubchem ID :-
Synonyms :
DL 473;Cyclopentylrifampicin;R 773;MDL473
Chemical Name :(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)-21-(Acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione

Calculated chemistry of [ 61379-65-5 ]

Physicochemical Properties

Num. heavy atoms : 63
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.57
Num. rotatable bonds : 6
Num. H-bond acceptors : 14.0
Num. H-bond donors : 6.0
Molar Refractivity : 251.34
TPSA : 220.15 Ų

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : 4.32
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

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

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 61379-65-5 ]

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