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CAS 865200-20-0 GIRIPLADIB molecular structure lightbox
CAS RN: 865200-20-0

GIRIPLADIB

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS865200-20-0
  • Purity/Analytical Methods: >99.0%
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865200-20-0 / 4-[3-[1-benzhydryl-5-chloro-2-[2-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid

Standard CAS: 865200-20-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865200-20-0
Multi CAS
No
Molecular Formula
C41H36CLF3N2O4S
Molecular Weight
745.200000
Exact Mass
744.203641
InChI
InChI=1S/C41H36ClF3N2O4S/c42-33-22-23-37-35(26-33)34(16-9-10-28-18-20-31(21-19-28)40(48)49)38(47(37)39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)24-25-46-52(50,51)27-32-15-7-8-17-36(32)41(43,44)45/h1-8,11-15,17-23,26,39,46H,9-10,16,24-25,27H2,(H,48,49)
InChIKey
NHHBNHIPCSPSHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
33
Fraction Csp3
0.2
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
198.27
TPSA
88.4

LogP / Solubility

WLOGP
9.49
MLOGP
8.41
XLogP3
10
Consensus LogP
9.3
Log S (ESOL)
-9.98
Class (ESOL)
Insoluble
Log S (Ali)
-12.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.53

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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