5XM

(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one

Created:	2015-12-22
Last modified:	2016-06-01

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1 entries where 5XM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	6

2D diagram of 5XM

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Chemical Component Summary
Name	(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one
Systematic Name (OpenEye OEToolkits)	(3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one
Formula	C₁₇ H₂₁ N₃ O
Molecular Weight	283.368
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N=C2[CH](CCN2c3ccccc13)CN4CCCCC4
SMILES	OpenEye OEToolkits	2.0.4	c1ccc2c(c1)C(=O)N=C3N2CCC3CN4CCCCC4
Canonical SMILES	CACTVS	3.385	O=C1N=C2[C@H](CCN2c3ccccc13)CN4CCCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4
InChI	InChI	1.03	InChI=1S/C17H21N3O/c21-17-14-6-2-3-7-15(14)20-11-8-13(16(20)18-17)12-19-9-4-1-5-10-19/h2-3,6-7,13H,1,4-5,8-12H2/t13-/m1/s1
InChIKey	InChI	1.03	CDOMBRFDONICCK-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	137348413

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