can
SAR
Black
canSAR2095849
FEATURES
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NAMES
SMILES
CC(=O)OC[C@H]1O[C@@H](n2cc(CN3C(=O)/C(=C\C=C\c4ccccc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI
InChI=1S/C34H34N4O10/c1-20(39)44-19-29-30(45-21(2)40)31(46-22(3)41)32(47-23(4)42)34(48-29)38-18-25(35-36-38)17-37-28-16-9-8-14-26(28)27(33(37)43)15-10-13-24-11-6-5-7-12-24/h5-16,18,29-32,34H,17,19H2,1-4H3/b13-10+,27-15-/t29-,30-,31+,32-,34-/m1/s1
MOLECULAR FORMULA
C34H34N4O10
CROSS REFERENCES
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canSAR2095849
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
658.23
AlogP
3.18
HBond donors
0
HBond acceptors
14
Atoms
82
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 canSAR2095849.