alemcinal   Click here for help

GtoPdb Ligand ID: 1444

Synonyms: ABT 229 | ABT-229 | ABT229
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 125.38
Molecular weight 697.48
XLogP 3.96
No. Lipinski's rules broken 1
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Isomeric SMILES CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)C[C@](C2)(C)OC)[C@@H](C)C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C2=C(C[C@@]1(C)O2)C)C)O)C)CC)C
InChI InChI=1S/C38H67NO10/c1-14-28-23(6)30(40)24(7)32-20(3)17-38(11,49-32)34(48-36-31(41)27(39(12)15-2)16-21(4)45-36)25(8)33(26(9)35(42)46-28)47-29-19-37(10,43-13)18-22(5)44-29/h21-31,33-34,36,40-41H,14-19H2,1-13H3/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30+,31-,33+,34-,36+,37+,38-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7908 alemcinal
Synonyms Click here for help
ABT 229 | ABT-229 | ABT229
Database Links Click here for help
Specialist databases
GPCRdb Ligand alemcinal
Other databases
CAS Registry No. 150785-53-8 (source: Scifinder)
ChEMBL Ligand CHEMBL300049
GtoPdb PubChem SID 135649877
PubChem CID 9918079
Search Google for chemical match using the InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N
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UniChem Compound Search for chemical match using the InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N
UniChem Connectivity Search for chemical match using the InChIKey IWTSXJNGTTXMFK-KTQUSEMZSA-N