can
SAR
Black
canSAR2080225
FEATURES
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NAMES
SMILES
C[C@@](O)(CO)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]12
InChI
InChI=1S/C30H48O7/c1-25-11-10-21(32)29(5,23(33)34)20(25)9-12-27(3)19(25)7-6-17-22-18(28(4,37)16-31)8-13-30(22,24(35)36)15-14-26(17,27)2/h17-22,31-32,37H,6-16H2,1-5H3,(H,33,34)(H,35,36)/t17-,18-,19-,20-,21-,22+,25-,26-,27-,28-,29+,30+/m1/s1
MOLECULAR FORMULA
C30H48O7
CROSS REFERENCES
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canSAR2080225
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Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight
520.34
AlogP
4.32
HBond donors
5
HBond acceptors
7
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 canSAR2080225.