Crlx101
(19R)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Molecular Identity
Crlx101
(19R)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
PubChem CID: 184196
2D Structure
Properties
C20H16N2O4
Molecular Formula
348.40
Molecular Weight
g/mol
348.1110
Exact Mass
Da
1
XLogP
Drug-like (Lipinski: < 5)
79.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
742
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OIsomeric SMILES
SMILES: CC[C@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OSynonyms(20)
crlx101RefChem:26745020R-Camptothecin110351-92-3(R)-(-)-Camptothecin(R)-CamptothecinCamptothecin Impurity 6CHEMBL71836(19R)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione(R)-4-Ethyl-4-hydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dione(R)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dioneTNP00113(4r)-4-ethyl-4-hydroxy-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4h,12h)-dioneSCHEMBL4304557SCHEMBL29369924
Data from PubChem (NCBI)
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