MK-4256   Click here for help

GtoPdb Ligand ID: 10114

Synonyms: MK 4256 | MK4256
Compound class: Synthetic organic
Comment: MK-4256 is a potent and selective SST3 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 113.24
Molecular weight 494.2
XLogP 4.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)c1cnc([nH]1)C1Cc2c3ccccc3[nH]c2C(N1)(c1noc(n1)C)c1cnn(c1)C
Isomeric SMILES Fc1ccc(cc1)c1cnc([nH]1)[C@H]1Cc2c3ccccc3[nH]c2[C@@](N1)(c1noc(n1)C)c1cnn(c1)C
InChI InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
InChI Key NTIFDLOQPKMIJK-AJTFRIOCSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
Synonyms Click here for help
MK 4256 | MK4256
Database Links Click here for help
CAS Registry No. 1104599-69-0
GtoPdb PubChem SID 381118824
PubChem CID 56927659
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