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

Structure

InChI Key JHJNPOSPVGRIAN-SFHVURJKSA-N
Smile COc1ccc(-c2cncc(N[C@@H](C)c3cccc(NC(=O)c4cncc(C)c4)c3)n2)cc1OC
InChI
InChI=1S/C27H27N5O3/c1-17-10-21(14-28-13-17)27(33)31-22-7-5-6-19(11-22)18(2)30-26-16-29-15-23(32-26)20-8-9-24(34-3)25(12-20)35-4/h5-16,18H,1-4H3,(H,30,32)(H,31,33)/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H27N5O3
Molecular Weight 469.55
AlogP 5.29
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 98.26
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650333