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CAS 257879-35-9 PKCβ Inhibitor molecular structure lightbox
CAS RN: 257879-35-9

PKCβ Inhibitor

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250227 100mg Out of stock Inquiry
Batchno.20250818 10mg In stock Shanghai Inquiry
Batchno.20260503 25mg In stock Shanghai Inquiry
Batchno.20260628 50mg Out of stock Inquiry
Batchno.20251124 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS257879-35-9
  • Purity/Analytical Methods: >99.0%
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257879-35-9 / 3-anilino-4-[1-(3-imidazol-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

Standard CAS: 257879-35-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
257879-35-9
Multi CAS
No
Molecular Formula
C24H21N5O2
Molecular Weight
411.500000
Exact Mass
411.169525
SMILES
C1=CC=C(C=C1)NC2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)CCCN5C=CN=C5
InChI
InChI=1S/C24H21N5O2/c30-23-21(22(24(31)27-23)26-17-7-2-1-3-8-17)19-15-29(20-10-5-4-9-18(19)20)13-6-12-28-14-11-25-16-28/h1-5,7-11,14-16H,6,12-13H2,(H2,26,27,30,31)
InChIKey
KIWODJBCHRADND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
20
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
118.92
TPSA
80.95

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
2.8
Consensus LogP
3.08
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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