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Summary Geometry Related PDB entries

VS5

Summary

Name:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
Formula:	C20 H21 F N6 O
Formal charge:	0
Formula weight:	380.419 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
OpenEye OEToolkits	2.0.7	4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-7,8-dihydro-5~{H}-pyrano[4,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1
InChI	InChI	1.06	InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
InChIKey	InChI	1.06	MRWSWOQTGWABSN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc(cc1)c2c3COCCc3nc(N4CCCCC4)c2c5[nH]nnn5
SMILES	CACTVS	3.385	Fc1ccc(cc1)c2c3COCCc3nc(N4CCCCC4)c2c5[nH]nnn5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c3c(nc(c2c4[nH]nnn4)N5CCCCC5)CCOC3)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2c3c(nc(c2c4[nH]nnn4)N5CCCCC5)CCOC3)F

227344

건을2024-11-13부터공개중

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