Ro-32-0432   Click here for help

GtoPdb Ligand ID: 6034

Synonyms: Ro 32-0432 | Ro-320432
Compound class: Synthetic organic
Comment: Ro-32-0432 is a cell-permeable selective inhibitor of protein kinase C (PKC).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 59.27
Molecular weight 452.22
XLogP 5.11
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CN(CC1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C
Isomeric SMILES CN(C[C@H]1CCn2c(C1)c(C1=C(C(=O)NC1=O)c1cn(c3c1cccc3)C)c1c2cccc1)C
InChI InChI=1S/C28H28N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3,(H,29,33,34)/t17-/m0/s1
InChI Key FXGHOAZJQNLNFD-KRWDZBQOSA-N
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Compound class Synthetic organic
IUPAC Name Click here for help
3-[(2S)-2-[(dimethylamino)methyl]-1H,2H,3H,4H-pyrido[1,2-a]indol-10-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
Synonyms Click here for help
Ro 32-0432 | Ro-320432
Database Links Click here for help
CAS Registry No. 151342-35-7
ChEMBL Ligand CHEMBL26501
GtoPdb PubChem SID 178102656
PubChem CID 127757
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