Small Molecules

Molecule Information SMILES Code CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-] Molecular Weight 609.68 Formula...

Molecule Information SMILES Code C1CN(CCC1(C(=O)NC(CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4 Molecular Weight 428.92 Formula C21H25ClN6O2 Purity...

Molecule Information SMILES Code C1=CN(C(=O)N=C1N)[[email protected]]2C([[email protected]@H]([[email protected]](O2)CO)O)(F)F Molecular Weight 299.66 Formula C9H11F2N3O4.HCI Purity...

Molecule Information SMILES Code CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC Molecular Weight 492.52 Formula...

Molecule Information SMILES Code C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC=C3C=CC(=O)C(=C3)O)O Molecular Weight 443.49 Formula C23H29N3O6 Purity 98...

Molecule Information SMILES Code CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2.Cl Molecular Weight 304.73 Formula C11H16N4O4.HCl Purity 99.85...

Molecule Information SMILES Code OC1=C(C(N/N=C/C(C=C2)=CC(O)=C2O)=O)C=C(C=CC=C3)C3=C1 Molecular Weight 322.31 Formula C18H14N2O4 Purity 98...

Molecule Information SMILES Code CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C Molecular Weight 429.6 Formula C27H35N5 Purity 99.5...

Molecule Information SMILES Code CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C Molecular Weight 493.66 Formula C26H39NO6S...

Molecule Information SMILES Code OC1=CC=C(C2=NC(C3=CC=C(F)C=C3)=C(C4=CC=NC=C4)N2)C=C1 Molecular Weight 331.34 Formula C20H14N3OF Purity 99.84...

Molecule Information SMILES Code C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+] Molecular Weight 326.34 Formula C4H8Na2O6S4 Purity 98...

Molecule Information SMILES Code COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2 Molecular Weight 267.28 Formula C16H13NO3 Purity 98.85 Solubility...

Molecule Information SMILES Code CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F Molecular Weight 381.37 Formula C17H14F3N3O2S Purity...

Molecule Information SMILES Code CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F Molecular Weight...

Molecule Information SMILES Code COC1=CC=C2C3=C1O[[email protected]]4([H])[[email protected]]3(C=C[[email protected]](O)C4)CCN(C)C2.Br Molecular Weight 368.27 Formula C17H21NO3.HBr...

Molecule Information SMILES Code CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O Molecular Weight 635.51 Formula...

Molecule Information SMILES Code CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O Molecular Weight 589.71...

Molecule Information SMILES Code CC1=CC2=C(N1)C=CC(=C2F)OC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCCC5 Molecular Weight 450.51 Formula C25H27FN4O3...

Molecule Information SMILES Code CCC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C=O)NC(=O)OCC1=CC=CC=C1 Molecular Weight 618.76 Formula...

Molecule Information SMILES Code CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1 Molecular Weight 467.49 Formula C22H30FN3O7...