Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN

Structure

InChI Key BKHSWGKGWGWMSM-CCLHPLFOSA-N
Smile Cc1ccn(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)N[C@@H](C)CO)Cc4ccccc43)c(C)c2)n1
InChI
InChI=1S/C27H32N4O3/c1-18-15-22(31-13-11-19(2)29-31)9-10-23(18)25(33)30-14-12-27(4,26(34)28-20(3)17-32)16-21-7-5-6-8-24(21)30/h5-11,13,15,20,32H,12,14,16-17H2,1-4H3,(H,28,34)/t20-,27+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32N4O3
Molecular Weight 460.58
AlogP 3.59
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 87.46
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802162