Cipargamin
(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
Molecular Identity
Cipargamin
(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one
PubChem CID: 44469321
2D Structure
Properties
C19H14Cl2FN3O
Molecular Formula
390.20
Molecular Weight
g/mol
389.0498
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
56.9
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Cipargamin1193314-23-6NITD609NITD-609NITD 609KAE609cipargaminacipargamineKAE-609Z7Q4FWA04P(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-oneNITD-609, (+)-DTXSID70152424cipargaminum(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro(1H-indole-3,1'-2,3,4,9-tetrahydropyrido(3,4-b)indole)-2-one
Data from PubChem (NCBI)
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