can
SAR
Black
canSAR2080172
FEATURES
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NAMES
SMILES
COc1cc(OC)cc([C@@H]2C(=O)c3cc(OC)cc(OC)c3[C@H]2Cc2ccccc2)c1
InChI
InChI=1S/C26H26O5/c1-28-18-11-17(12-19(13-18)29-2)24-21(10-16-8-6-5-7-9-16)25-22(26(24)27)14-20(30-3)15-23(25)31-4/h5-9,11-15,21,24H,10H2,1-4H3/t21-,24-/m0/s1
MOLECULAR FORMULA
C26H26O5
CROSS REFERENCES
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canSAR2080172
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
418.18
AlogP
5.03
HBond donors
0
HBond acceptors
5
Atoms
57
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 canSAR2080172.