Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZNF    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C20H28ClFN4O2/c1-13-10-26(11-14(2)24(13)3)20(28)25-8-4-5-15(12-25)19(27)23-16-6-7-17(21)18(22)9-16/h6-7,9,13-15H,4-5,8,10-12H2,1-3H3,(H,23,27)/t13-,14+,15-/m0/s1
2 InChIKey InChI 1.06 GQUONMSREALCFW-ZNMIVQPWSA-N
3 SMILES ACDLabs 12.01 CC1CN(CC(C)N1C)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1
4 SMILES CACTVS 3.385 C[CH]1CN(C[CH](C)N1C)C(=O)N2CCC[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3
5 SMILES OpenEye OEToolkits 2.0.7 CC1CN(CC(N1C)C)C(=O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl
6 Canonical SMILES CACTVS 3.385 C[C@H]1CN(C[C@@H](C)N1C)C(=O)N2CCC[C@@H](C2)C(=O)Nc3ccc(Cl)c(F)c3
7 Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@@H]1CN(C[C@@H](N1C)C)C(=O)N2CCC[C@@H](C2)C(=O)Nc3ccc(c(c3)F)Cl