iGMDRD355

Canonical SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI: InChI=1S/C20H28N4O2.C12H11ClN2O5S/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12;13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h12-14H,3-11H2,1-2H3,(H,21,22);1-5,15H,6H2,(H,16,17)(H2,14,18,19)

InChI Key: LLLIKHLUUMWXPN-UHFFFAOYSA-N

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments