MKW

1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one

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

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

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	1
Bond Count	62
Aromatic Bond Count	21

2D diagram of MKW

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Chemical Component Summary
Name	1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
Formula	C₂₅ H₂₄ Cl N₅ O₂
Molecular Weight	461.943
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)N1CCN2[CH](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OCC2C1)c5c(ccc6c5c[nH]n6)C)Cl
Canonical SMILES	CACTVS	3.385	CCC(=O)N1CCN2[C@@H](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl
InChI	InChI	1.03	InChI=1S/C25H24ClN5O2/c1-3-23(32)30-6-7-31-15(12-30)13-33-22-11-27-21-9-16(19(26)8-17(21)25(22)31)24-14(2)4-5-20-18(24)10-28-29-20/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3,(H,28,29)/t15-/m1/s1
InChIKey	InChI	1.03	FXHOZGODUVOVIF-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	145946083

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