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8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

Name: 8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-
SKU: PI1206524857
Rating: 5 (1 reviews)

Cat. No.: PI1206524857

8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxylic acid, 5-(1,1-dimethylethyl)-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-14-methoxy-3,6-dioxo-, (1ar,5s,8s,10r,22ar)-

Product Details Other Identifiers Computed Properties

CAS	1206524-85-7
Purity	99%
Molecular Formula	C29H38N4O7
Molecular Weight	554.63
Molar Refractivity	154.59

Pubchem ID	46930991
InChI Key	IVROMYPOGKZNLP-FDOFPDFBSA-N
MDL Number	MFCD31561044

Aromatic Heavy Atoms Number	10
BBB Permeant	No
Bioavailability Score	0.56
Brenk	0.0 alert
Consensus Log Po/w	3.06
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.62
Ghose	None
GI Absorption	Low
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	2.0
Lipinski	2.0
Log Kp (Skin Permeation)	-6.39 cm/s
Log Po/w (iLOGP)	3.97
Log Po/w (MLOGP)	1.79
Log Po/w (SILICOS-IT)	1.95
Log Po/w (WLOGP)	2.96
Log Po/w (XLOGP3)	4.64
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	3
Synthetic Accessibility	6.9
Topological Polar Surface Area	140.18 Å²
Veber	1.0

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