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
29994-01-0311missingmissingmissingmissingmissingmissingactivemissingactivemissingmissingactivemissingmissingmissingactiveactivemissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissing
555Nc1ccc(cc1)Cc2ccc(cc2)NInChI=1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H24,4??-Methylenedianilinemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactivemissing
637CCC(Nc1ccc(cc1)NC(CC)C)CInChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3N,N'-Di-sec-butyl-p-phenylenediaminemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactiveactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive
680c1(Nc2ccccc2)ccc(N[C@@H](CC(C)C)C)cc1InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3/t15-/m1/s1N-(1,3-Dimethylbutyl)-N??-phenyl-1,4-phenylenediaminemissingactivemissingactivemissingactivemissingmissingactiveactiveactivemissingmissingmissingactiveactiveactivemissingmissingmissingactivemissingactiveactivemissingmissingmissingmissing
696C1[C@@](C[C@@H](N)CC1(C)C)(CN)CInChI=1S/C10H22N2/c1-9(2)4-8(12)5-10(3,6-9)7-11/h8H,4-7,11-12H2,1-3H3/t8-,10+/m0/s13-Aminomethyl-3,5,5-trimethylcyclohexylaminemissingactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingmissinginactiveinactiveinactiveactivemissingmissingmissingmissingmissingmissingmissingmissingmissingmissingactive