BDTX189

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key HIBPKFXWOPYJPZ-UHFFFAOYSA-N
Smile C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccn4)c(Cl)c3)ncnc2cc1OCCN1CCOCC1
InChI
InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H29ClN6O4
Molecular Weight 561.04
AlogP 4.84
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 110.73
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 40.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4650279
CONTENTS