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Nintedanib
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NAMES
  • BIBF-1120
  • Nintedanib
  • Ofev
  • Vargatef
  • XIN
SMILES
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChI
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
MOLECULAR FORMULA
C31H33N5O4
CROSS REFERENCES
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Nintedanib

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 539.25
AlogP 3.62
HBond donors 2
HBond acceptors 9
Atoms 73
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Nintedanib.