Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : OVF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3
2 InChIKey InChI 1.06 DJHGLSHYLFLFFG-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
4 SMILES CACTVS 3.385 CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34
5 SMILES OpenEye OEToolkits 2.0.7 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3
6 Canonical SMILES CACTVS 3.385 CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3