Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : PNX    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3
2 InChIKey InChI 1.03 BYPFEZZEUUWMEJ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C2N(c1ncn(c1C(=O)N2CCCCC(=O)C)C)C
4 SMILES CACTVS 3.341 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12
5 SMILES OpenEye OEToolkits 1.5.0 CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C
6 Canonical SMILES CACTVS 3.341 Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C