KT 5720   Click here for help

GtoPdb Ligand ID: 337

Synonyms: KT5720
Compound class: Synthetic organic
Comment: Analogue of staurosporine
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 94.72
Molecular weight 537.23
XLogP 7.83
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCOC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
Isomeric SMILES CCCCCCOC(=O)[C@@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
InChI InChI=1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32-/m0/s1
InChI Key ZHEHVZXPFVXKEY-IKZDWWSZSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
hexyl (15R,16R,18S)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-16-carboxylate
Synonyms Click here for help
KT5720
Database Links Click here for help
CAS Registry No. 108068-98-0 (source: Scifinder)
GtoPdb PubChem SID 135652698
PubChem CID 16219545
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Wikipedia KT_5720