Category

This is a category compound table for model Rat toxicity prediction with Predictive Clustering Trees.

IndexImageSMILESInChInameadrenal-gland-weight-increasedbody-weight-decreasedbone-marrowbrainclinchem-hepatotoxclinchem-nephrotoxcnsfemale-reproductive-organhaematology-anaemiahaematology-cellular-hemostasishaematology-plasmatic-hemostasishaematopoiesisintestinekidneykidney-weight-increasedliverliver-weight-increasedmale-accessory-glandmale-reproductive-organmale-reproductive-organ-spermmale-reproductive-organ-weight-decreasedmale-reproductive-organ-weight-increasedrbcspleenthymusthymus-weight-decreasedthyroid-glandwbc
265N(CCCC)CCCCInChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3Di-n-Butylaminemissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
549[Cl-].[Cl-].[N+](CCCCCC[N+])InChI=1S/C6H12N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-6H2;2*1H/q+2;;/p-21,6-Hexanediamine Dihydrochloridemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingactivemissingactive
664C(CCCN)CCNInChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H21,6-Hexanediaminemissingactivemissingmissingmissingactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
681O=C=NCCCCCCN=C=OInChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2Hexamethylene diisocyanateactivemissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingactivemissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissing
703CN(CCCCl)C.ClInChI=1S/C5H12ClN.ClH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1HDimethylaminopropyl chloride HClmissingactivemissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissing
73801-02-0313missinginactivemissingmissingmissingmissinginactivemissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing
76185-06-0033missingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissinginactivemissingactivemissingmissingmissingmissingmissinginactiveinactiveinactivemissingmissinginactive
88499-04-1177activeactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissing