R94

N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE


Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE
IdentifiersN-[(3R,4R)-4-[[4-(2-hydroxy-5-piperidin-1-yl-phenyl)carbonylphenyl]carbonylamino]azepan-3-yl]pyridine-4-carboxamide
FormulaC31 H35 N5 O4
Molecular Weight541.641
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5
InChIInChI=1S/C31H35N5O4/c37-28-11-10-24(36-17-2-1-3-18-36)19-25(28)29(38)21-6-8-22(9-7-21)30(39)34-26-5-4-14-33-20-27(26)35-31(40)23-12-15-32-16-13-23/h6-13,15-16,19,26-27,33,37H,1-5,14,17-18,20H2,(H,34,39)(H,35,40)/t26-,27-/m1/s1
InChIKeyVXVVBHZWCMDJPJ-KAYWLYCHSA-N

Chemical Details

Formal Charge0
Atom Count75
Chiral Atom Count2
Bond Count79
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 5289256
ChEMBL CHEMBL1195612