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PDBeChem : Molecule Descriptors
Molecule : JPB
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1 |
2 |
InChIKey
|
InChI |
1.03 |
LBWIBZYKUVIBKH-ZETCQYMHSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(cc(c(c1Cl)C(=O)NC2CC(=O)NC2=O)Cl)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1cc(Cl)c(C(=O)N[C@H]2CC(=O)NC2=O)c(Cl)c1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl |
|