BL-1020

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: K1WO7H97QZ

Structure
InChI Key QLSODQWNKDAMMX-UHFFFAOYSA-N
Smile Cl.NCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChI
InChI=1S/C25H33ClN4O2S.ClH/c26-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)33-24)12-4-11-28-13-15-29(16-14-28)17-18-32-25(31)7-3-10-27;/h1-2,5-6,8-9,19H,3-4,7,10-18,27H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34Cl2N4O2S
Molecular Weight 525.55
AlogP 4.23
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 62.04
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 33.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL513521
FDA SRS K1WO7H97QZ
PubChem 44577296
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