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Nintedanib Esylate
FEATURES
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NAMES
  • Nintedanib Esylate
  • Ofev
SMILES
CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChI
InChI=1S/C31H33N5O4.C2H6O3S/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;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;
MOLECULAR FORMULA
C33H39N5O7S
CROSS REFERENCES
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Nintedanib Esylate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 649.26
AlogP 3.51
HBond donors 3
HBond acceptors 12
Atoms 85
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 Esylate.