68K

N-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide


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Chemical Component Summary

NameN-(6-{2-[2-(2-amino-3-{3-[(3,3-dimethylbutyl)amino]-3-oxopropyl}quinolin-6-yl)phenyl]ethyl}pyridin-3-yl)-4-fluorobenzamide
Identifiers~{N}-[6-[2-[2-[2-azanyl-3-[3-(3,3-dimethylbutylamino)-3-oxidanylidene-propyl]quinolin-6-yl]phenyl]ethyl]pyridin-3-yl]-4-fluoranyl-benzamide
FormulaC38 H40 F N5 O2
Molecular Weight617.755
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F
InChIInChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46)
InChIKeyRTOUKFMBOVMEOT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count86
Chiral Atom Count0
Bond Count90
Aromatic Bond Count29

Related Resource References

Resource NameReference
Pharos CHEMBL3809870
PubChem 118797905
ChEMBL CHEMBL3809870