KW-2449   

GtoPdb Ligand ID: 5691

Synonyms: KW 2449
Compound class: Synthetic organic
Comment: KW-2449 is a multi-targeted kinase inhibitor [2] that was investigated as a treatment for leukemias with FLT3 mutations or T315I-mutated BCR/ABL translocation.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 61.02
Molecular weight 332.16
XLogP 3.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc(cc1)C=Cc1[nH]nc2c1cccc2)N1CCNCC1
Isomeric SMILES O=C(c1ccc(cc1)/C=C/c1[nH]nc2c1cccc2)N1CCNCC1
InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+
InChI Key YYLKKYCXAOBSRM-JXMROGBWSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-[(E)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2H-indazole
Synonyms
KW 2449
Database Links
CAS Registry No. 1000669-72-6
ChEMBL Ligand CHEMBL1908397
GtoPdb PubChem SID 178102318
PubChem CID 11427553
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