8DQ

8-phenyl-2-piperazin-1-yl-chromen-4-one

Created:	2013-11-19
Last modified:	2014-09-05

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1 entries where 8DQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of 8DQ

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Chemical Component Summary
Name	8-phenyl-2-piperazin-1-yl-chromen-4-one
Systematic Name (OpenEye OEToolkits)	8-phenyl-2-piperazin-1-yl-chromen-4-one
Formula	C₁₉ H₁₈ N₂ O₂
Molecular Weight	306.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4
SMILES	CACTVS	3.385	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4
Canonical SMILES	CACTVS	3.385	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4
InChI	InChI	1.03	InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKey	InChI	1.03	NGAGMBNBKCDCDJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3971
ChEMBL	CHEMBL1363184
ChEBI	CHEBI:92399

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