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Summary Geometry Related PDB entries

A1MG3

Summary

Name:	(4S)-4,11-diethyl-9-(3-fluoropropoxy)-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
Synonyms:	10-O-(3-fluoropropyl)-substituted SN-38
Formula:	C25 H25 F N2 O5
Formal charge:	0
Formula weight:	452.475 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-ethyl-7-[(1~{Z})-1-[3-(3-fluoranylpropoxy)-6-$l^{2}-azanylidene-cyclohexa-2,4-dien-1-ylidene]propyl]-4-oxidanyl-1,8-dihydropyrano[3,4-f]indolizin-3-one;$l^{1}-oxidane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C25H25FN2O5/c1-3-15-16-10-14(32-9-5-8-26)6-7-20(16)27-22-17(15)12-28-21(22)11-19-18(23(28)29)13-33-24(30)25(19,31)4-2/h6-7,10-11,31H,3-5,8-9,12-13H2,1-2H3/t25-/m0/s1
InChIKey	InChI	1.06	DDCVJVRBDJWVHJ-VWLOTQADSA-N
SMILES_CANONICAL	CACTVS	3.385	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCCCF)cc15)[C@@](O)(CC)C(=O)OC4
SMILES	CACTVS	3.385	CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OCCCF)cc15)[C](O)(CC)C(=O)OC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[C@@]5(CC)O)OCCCF
SMILES	OpenEye OEToolkits	2.0.7	CCc1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OCCCF

260626

PDB entries from 2026-10-07

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