FMS586   Click here for help

GtoPdb Ligand ID: 1563

Synonyms: FMS 586 | FMS-586
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 50.16
Molecular weight 390.24
XLogP 4.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C
Isomeric SMILES O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C
InChI InChI=1S/C24H30N4O/c1-17(2)28-22-7-5-4-6-20(22)21-16-19(8-9-23(21)28)26-24(29)27(3)15-12-18-10-13-25-14-11-18/h8-11,13-14,16-17H,4-7,12,15H2,1-3H3,(H,26,29)
InChI Key YLNOMVNCZMWDST-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-3-(9-propan-2-yl-5,6,7,8-tetrahydrocarbazol-3-yl)-1-(2-pyridin-4-ylethyl)urea
Synonyms Click here for help
FMS 586 | FMS-586
Database Links Click here for help
CAS Registry No. 302556-51-0 (source: Scifinder)
GtoPdb PubChem SID 135650281
PubChem CID 11589975
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