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CAS 2070009-64-0 GSK2110183 (hydrochloride) molecular structure lightbox
CAS RN: 2070009-64-0

GSK2110183 (hydrochloride)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2070009-64-0
  • Purity/Analytical Methods: >99.0%
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2070009-64-0 / N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride

Standard CAS: 2070009-64-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2070009-64-0
Multi CAS
No
Molecular Formula
C18H17Cl3F2N4OS
Molecular Weight
481.800000
Exact Mass
480.015672
SMILES
CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl.Cl
InChI
InChI=1S/C18H16Cl2F2N4OS.ClH/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9;/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27);1H/t10-;/m0./s1
InChIKey
BCVQLTLODHPIJM-PPHPATTJSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
114.16
TPSA
72.94

LogP / Solubility

WLOGP
4.46
MLOGP
3.95
XLogP3
4.46
Consensus LogP
4.29
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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