SCH 206272   Click here for help

GtoPdb Ligand ID: 2106

Synonyms: SCH-206272
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 94.55
Molecular weight 711.19
XLogP 5.79
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CON=C(C(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCCC(C1=O)CC(=O)NC)CN(C(=O)c1cc(Cl)cc(c1)Cl)C
Isomeric SMILES CO/N=C(/[C@@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCC[C@@H](C1=O)CC(=O)NC)\CN(C(=O)c1cc(Cl)cc(c1)Cl)C
InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22-,27-/m1/s1
InChI Key UITMLIVWRRGLLR-SUFYPKAWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3,5-dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[(3R)-3-(2-methylamino-2-oxoethyl)-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
Synonyms Click here for help
SCH-206272
Database Links Click here for help
BindingDB Ligand 50116717
CAS Registry No. 226915-43-1 (source: Scifinder)
ChEMBL Ligand CHEMBL77023
GtoPdb PubChem SID 135651023
PubChem CID 9875034
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