Definition of InChIKeys. Meaning of InChIKeys. Synonyms of InChIKeys

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Definition of InChIKeys

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Meaning of InChIKeys from wikipedia

- generates InChI and InChIKeys for drawn structures or opened files the Chemistry Development Kit uses JNI-InChI to generate InChIs, can convert InChIs into...
- Isaac "Ikey" Solomon (c. 1787 – 1850) was a British criminal who acted as a receiver of stolen property. His well-publicised crimes, escape from arrest...
- of chemicals based on Chemical Name CASRN, InChIKey, DSSTox Substance ID, DSSTox Compound ID, InChIKey Skeleton, MS-Ready Formula, Exact Formula, or...
- (+): InChI=1S/C8H18O/c1-3-5-6-7-8(9)4-2/h8-9H,3-7H2,1-2H3/t8-/m0/s1 Key: InChIKey=NMRPBPVERJPACX-QMMMGPOBSA-N SMILES CCCCCC(CC)O (+): [C@@H](CCCCC)(CC)O Properties...
- SD files (SDF) from chemical names, CAS Registry Numbers, SMILES, InChI, InChIKey, .... KNIME free software to mani****te data and do datamining, can...
- targets, dose, side effects, Canonical SMILES, Standard InChI, Standard InChIKey, DrugBank, ChEMBL, DrugCentral, KEGG, PubChem, CASRN SD "SuperDRUG2". 4...
- 3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3 Key: nChIKey=SSDSCDGVMJFTEQ-UHFFFAOYSA-N SMILES C(CC(OCCCCCCCCCCCCCCCCCC)=O)C1=CC(C(...
- Dashboard (EPA) DTXSID1042077 InChI InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) Key: InChIKey=PUIYMUZLKQOUOZ-UHFFFAOYSA-N...
- 14)15)39(54)36(24-30)48(16,17)18/h19-24,52-54H,25-27H2,1-18H3 Key: InChIKey=VNQNXQYZMPJLQX-UHFFFAOYSA-N SMILES C(N1C(=O)N(CC2=CC(C(C)(C)C)=C(O)C(C(...
- 14)15)36(48)27(30)6/h16-18,46-48H,19-21H2,1-15H3 Key: InChIKey=XYXJKPCGSGVSBO-UHFFFAOYSA-N SMILES C(N1C(=O)N(CC2=C(C)C(O)=C(C(C)(C)C)C...