LY215840   Click here for help

GtoPdb Ligand ID: 180

Synonyms: LY 215840 | LY-215,840 | LY-215840
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 2
Rotatable bonds 4
Topological polar surface area 57.5
Molecular weight 395.26
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CC(CC2C1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)NC1CCCC1O
Isomeric SMILES CN1C[C@@H](CC2[C@H]1Cc1cn(c3c1c2ccc3)C(C)C)C(=O)N[C@H]1CCC[C@H]1O
InChI InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)/t16-,18?,19+,21-,22-/m1/s1
InChI Key IMSDOBUYDTVEHN-LUKLFJNJSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(4R,7R)-N-[(1S,2R)-2-hydroxycyclopentyl]-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxamide
Synonyms Click here for help
LY 215840 | LY-215,840 | LY-215840
Database Links Click here for help
CAS Registry No. 137328-52-0 (source: Scifinder)
GtoPdb PubChem SID 135650544
PubChem CID 132049
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Wikipedia LY-215,840