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Summary Geometry Related PDB entries

EHD

Summary

Name:	4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE
Synonyms:	CAMPTOTHECIN
Formula:	C20 H16 N2 O4
Formal charge:	0
Formula weight:	348.352 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5
SMILES_CANONICAL	CACTVS	3.341	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
SMILES	CACTVS	3.341	CC[C]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O
SMILES	OpenEye OEToolkits	1.5.0	CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O
InChI	InChI	1.03	InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
InChIKey	InChI	1.03	VSJKWCGYPAHWDS-FQEVSTJZSA-N

229380

건을2024-12-25부터공개중

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