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Chemical structure of Crolibulin

GC19112

Crolibulin

Also known as (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile

Crolibulin is a small molecule tubulin polymerization inhibitor

ChemicalCAS1000852-17-4MW417.26FormulaC18H17BrN4O3
CAS number
1000852-17-4
Molecular weight
417.26
Formula
C18H17BrN4O3
Solubility
DMSO ： 125 mg/mL (299·57 mM)
InChIKey
JXONINOYTKKXQQ-CQSZACIVSA-N
Catalogue number
GC19112
Brand
GLPBIO
Computed properties PubChem CID 23649181 · XLogP 2.6 · TPSA 130 Ų · H-bond donors 3
XLogP
2.6
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
26

SMILES COC1=C(C(=CC(=C1)[C@@H]2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC

Computed descriptors from PubChem (CID 23649181), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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