O7K

pyrazinoquinolinone

Created:	2020-02-18
Last modified:	2024-09-27

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1 entries where O7K is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	2
Bond Count	62
Aromatic Bond Count	17

2D diagram of O7K

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Chemical Component Summary
Name	pyrazinoquinolinone
Formula	C₂₅ H₂₃ Cl F₂ N₄ O₃
Molecular Weight	500.925
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1C[CH]2N(C[CH]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CC2C(=O)N(c3cnc4c(c3N2CC1C)cc(c(c4F)c5c(cccc5F)O)Cl)C
Canonical SMILES	CACTVS	3.385	CCC(=O)N1C[C@H]2N(C[C@H]1C)c3c(cnc4c(F)c(c(Cl)cc34)c5c(O)cccc5F)N(C)C2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C
InChI	InChI	1.03	InChI=1S/C25H23ClF2N4O3/c1-4-19(34)31-11-17-25(35)30(3)16-9-29-23-13(24(16)32(17)10-12(31)2)8-14(26)20(22(23)28)21-15(27)6-5-7-18(21)33/h5-9,12,17,33H,4,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKey	InChI	1.03	PJYYTOVRCBFDTN-SJKOYZFVSA-N

Related Resource References

Resource Name	Reference
PubChem	145946106

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