CAS RN: 732973-87-4

GOT1 inhibitor 2c

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  • Product code: starshine_CAS732973-87-4
  • Purity/Analytical Methods: >99.0%
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732973-87-4 / N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide

Standard CAS: 732973-87-4 Multi CAS: No

Basic Information

CAS
732973-87-4
Multi CAS
No
Molecular Formula
C19H19CLN4O
Molecular Weight
354.800000
Exact Mass
354.124739
InChI
InChI=1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)
InChIKey
VVVZKBOSNCHQEJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
102.56
TPSA
51.37

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.5
Consensus LogP
3.79
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble

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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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