CAS RN: 1934246-19-1
“DDR-TRK-1(DDR1 inhibitor 6j)”
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251228 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1934246-19-1
- Purity/Analytical Methods: >99.0%
1934246-19-1 / (4R)-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline-7-carboxamide
Basic Information
CAS
1934246-19-1
Multi CAS
No
Molecular Formula
C26H23F3N6O
Molecular Weight
492.500000
Exact Mass
492.188544
SMILES
C[C@H]1CN(CC2=C1C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)N4C=C(N=C4)C)C5=CN=CN=C5
InChI
InChI=1S/C26H23F3N6O/c1-16-11-34(23-9-30-14-31-10-23)13-19-5-18(3-4-24(16)19)25(36)33-21-6-20(26(27,28)29)7-22(8-21)35-12-17(2)32-15-35/h3-10,12,14-16H,11,13H2,1-2H3,(H,33,36)/t16-/m0/s1
InChIKey
CMJJZRAAQMUAFH-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
23
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
129.2
TPSA
75.94
LogP / Solubility
WLOGP
5.37
MLOGP
4.76
XLogP3
4.1
Consensus LogP
4.74
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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