SR16234

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key OHCPNHFLPCVWRG-YQOGLFJVSA-N
Smile CCN(CC)Cc1ccc(OCC[C@H]2CCC3C4C(CC[C@@]32C)c2ccc(O)cc2C[C@H]4C)c(OC)c1
InChI
InChI=1S/C33H47NO3/c1-6-34(7-2)21-23-8-13-30(31(19-23)36-5)37-17-15-25-9-12-29-32-22(3)18-24-20-26(35)10-11-27(24)28(32)14-16-33(25,29)4/h8,10-11,13,19-20,22,25,28-29,32,35H,6-7,9,12,14-18,21H2,1-5H3/t22-,25-,28?,29?,32?,33-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H47NO3
Molecular Weight 505.74
AlogP 7.43
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 41.93
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 37.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3545210
ChEMBL CHEMBL3545211
SureChEMBL SCHEMBL13617018
CONTENTS