CAS RN: 191723-65-6

H-GLY-GLY-AMC HCL

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  • Product code: starshine_CAS191723-65-6
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191723-65-6 / 2-amino-N-[2-[(4-methyl-2-oxochromen-7-yl)amino]-2-oxoethyl]acetamide;hydrochloride

Standard CAS: 191723-65-6 Multi CAS: No

Basic Information

CAS
191723-65-6
Multi CAS
No
Molecular Formula
C14H16ClN3O4
Molecular Weight
325.750000
Exact Mass
325.082934
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)CNC(=O)CN.Cl
InChI
InChI=1S/C14H15N3O4.ClH/c1-8-4-14(20)21-11-5-9(2-3-10(8)11)17-13(19)7-16-12(18)6-15;/h2-5H,6-7,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKey
ZRGZRZYKKHAMID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.21
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
85.16
TPSA
114.43

LogP / Solubility

WLOGP
0.54
MLOGP
0.49
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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