Indimitecan
20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
Molecular Identity
Indimitecan
20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione
PubChem CID: 11519397
2D Structure
Properties
C25H21N3O6
Molecular Formula
459.40
Molecular Weight
g/mol
459.1430
Exact Mass
Da
2.2
XLogP
Drug-like (Lipinski: < 5)
92.1
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
864
Complexity
SMILES
Canonical SMILES
SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OCIsomeric SMILES
SMILES: COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OCSynonyms(20)
INDIMITECAN915360-05-3LMP776V5T7S4HP8ANSC-725776DTXSID902386185H-(1,3)Dioxolo(4',5':5,6)indeno(1,2-c)isoquinoline-5,12(6H)-dione, 6-(3-(1H-imidazol-1-xyl)propyl)-2,3-dimethoxy-NSC725776RefChem:148143DTXCID40161109UNII-V5T7S4HP8A20-(3-imidazol-1-ylpropyl)-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dioneNSC 725776orb1689782SCHEMBL7712896
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indimitecan
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