MKZ

1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

Created:	2019-10-17
Last modified:	2020-02-19

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2 entries where MKZ is found as a standalone ligand1 entries where MKZ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	21

2D diagram of MKZ

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Chemical Component Summary
Name	1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
Systematic Name (OpenEye OEToolkits)	1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
Formula	C₂₃ H₂₃ Cl N₆ O
Molecular Weight	434.921
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4c(C)ccc5[nH]ncc45
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4c(C)ccc5[nH]ncc45
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl
InChI	InChI	1.03	InChI=1S/C23H23ClN6O/c1-3-21(31)29-6-8-30(9-7-29)23-16-10-18(24)15(11-20(16)25-13-26-23)22-14(2)4-5-19-17(22)12-27-28-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28)
InChIKey	InChI	1.03	TWMDOOBUQKHYLW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145946084

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