(R)-flurocarazolol   Click here for help

GtoPdb Ligand ID: 65

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 57.28
Molecular weight 316.16
XLogP 3.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCC(NCC(COc1cccc2c1c1ccccc1[nH]2)O)C
Isomeric SMILES FCC(NC[C@H](COc1cccc2c1c1ccccc1[nH]2)O)C
InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3/t12?,13-/m1/s1
InChI Key QHLGXPUIUKSADT-ZGTCLIOFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R)-1-(9H-carbazol-4-yloxy)-3-(1-fluoropropan-2-ylamino)propan-2-ol
Database Links Click here for help
ChEMBL Ligand CHEMBL418834
GtoPdb PubChem SID 135650898
PubChem CID 9995893
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