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Summary Geometry Related PDB entries

GEQ

Summary

Name:	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE
Synonyms:	GENZ-10850
Formula:	C26 H23 N3 O
Formal charge:	0
Formula weight:	393.48 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole
OpenEye OEToolkits	1.5.0	[4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6
SMILES_CANONICAL	CACTVS	3.341	O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5
SMILES	CACTVS	3.341	O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6
InChI	InChI	1.03	InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
InChIKey	InChI	1.03	YYMZSGIXLQPFAC-UHFFFAOYSA-N

222624

數據於2024-07-17公開中

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