HRO761   Click here for help

GtoPdb Ligand ID: 13018

Synonyms: example 42 [WO2022249060] | HRO-761
Compound class: Synthetic organic
Comment: HRO761 (Novartis) is an inhibitor of the WRN RecQ like helicase [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 14
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 155.1
Molecular weight 702.08
XLogP 2.2
No. Lipinski's rules broken 2
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Canonical SMILES CCC1=C(C(=O)N2C(=NC(=N2)C3=CCOCC3)N1CC(=O)NC4=CC=C(C=C4Cl)C(F)(F)F)N5CCN(CC5)C(=O)C6=C(C(=NC=N6)C)O
Isomeric SMILES CCC1=C(N2CCN(CC2)C(=O)C3=C(O)C(C)=NC=N3)C(=O)N4N=C(N=C4N1CC(=O)NC5=CC=C(C=C5Cl)C(F)(F)F)C6=CCOCC6
InChI InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
example 42 [WO2022249060] | HRO-761
Database Links Click here for help
CAS Registry No. 2869954-34-5 (source: PubChem)
GtoPdb PubChem SID 485206139
PubChem CID 166140536
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