CP 154,526   

GtoPdb Ligand ID: 3495

Synonyms: CP-154526 | CP154,526 | CP154526
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 33.43
Molecular weight 364.26
XLogP 6.58
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC
Isomeric SMILES CCCCN(c1nc(C)nc2c1c(C)cn2c1c(C)cc(cc1C)C)CC
InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3
InChI Key FHQYJZCJRZHINA-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel