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CAS 143797-63-1 SB 200646 HYDROCHLORIDE molecular structure lightbox
CAS RN: 143797-63-1

SB 200646 HYDROCHLORIDE

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1 package records0 with current stock1 grade group
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Batchno.20251230 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS143797-63-1
  • Purity/Analytical Methods: >99.0%
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143797-63-1 / 1-(1-methylindol-5-yl)-3-pyridin-3-ylurea

Standard CAS: 143797-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143797-63-1
Multi CAS
No
Molecular Formula
C15H14N4O
Molecular Weight
266.300000
Exact Mass
266.116761
SMILES
CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3
InChI
InChI=1S/C15H14N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-10H,1H3,(H2,17,18,20)
InChIKey
OJZZJTLBYXHUSJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
79.8
TPSA
58.95

LogP / Solubility

WLOGP
3.22
MLOGP
2.84
XLogP3
1.5
Consensus LogP
2.52
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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