can
SAR
Black
canSAR1846412
FEATURES
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NAMES
SMILES
COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O
InChI
InChI=1S/C25H19BrF3NO5/c1-13-6-7-16(11-19(13)26)30-24(32)35-23-21(31)18-9-8-17(33-2)12-20(18)34-22(23)14-4-3-5-15(10-14)25(27,28)29/h3-12,22-23H,1-2H3,(H,30,32)/t22-,23+/m0/s1
MOLECULAR FORMULA
C25H19BrF3NO5
CROSS REFERENCES
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canSAR1846412
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
549.04
AlogP
6.72
HBond donors
1
HBond acceptors
6
Atoms
54
Contains toxicophore
No
Contains PAINS
No
Commercially available
Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by canSAR1846412.