Immune checkpoint modulators

Cas#: 1431697-96-9        Compound CID:  136218645

Formula:  C₂₃H₂₈ClFN₄O₄        Molecular Weight: 478.94

IUPAC Name: 4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol;hydrochloride

SMILES: CC(C)(C1CNCC1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O.Cl

InChIKey: LAKJUTZIXHTMPC-SSPJITILSA-N

InChI: InChI=1S/C23H27FN4O4.ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);1H/t15-,17-;/m1./s1

Cas#: 931417-26-4        Compound CID:  11565176

Formula:  C₁₃H₈Cl₂N₂        Molecular Weight: 263.12

IUPAC Name: (Z)-2-(3,4-dichlorophenyl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

SMILES: C1=CNC(=C1)C=C(C#N)C2=CC(=C(C=C2)Cl)Cl

InChIKey: IJJHHDLGGYDXGD-UXBLZVDNSA-N

InChI: InChI=1S/C13H8Cl2N2/c14-12-4-3-9(7-13(12)15)10(8-16)6-11-2-1-5-17-11/h1-7,17H/b10-6+

Cas#: 1657014-42-0        Compound CID:  131749450

Formula:  C₁₆H₂₂BrCl₂N₅O        Molecular Weight: 451.19

IUPAC Name: N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide;dihydrochloride

SMILES: C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N.Cl.Cl

InChIKey: OYMHZTORKRPOBI-YQFADDPSSA-N

InChI: InChI=1S/C16H20BrN5O.2ClH/c17-11-6-19-15-13(14(11)22-5-1-2-10(18)8-22)12(7-20-15)21-16(23)9-3-4-9;;/h6-7,9-10H,1-5,8,18H2,(H,19,20)(H,21,23);2*1H/t10-;;/m1../s1

Cas#: 1234015-58-7        Compound CID:  137364590

Formula:  C₂₀H₂₇N₇O₈S₂        Molecular Weight: 557.60

IUPAC Name: 5-[[5-[2-(3-aminopropoxy)-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;methanesulfonic acid

SMILES: COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N.CS(=O)(=O)O.CS(=O)(=O)O

InChIKey: HXYBEKZGRNUTBN-UHFFFAOYSA-N

InChI: InChI=1S/C18H19N7O2.2CH4O3S/c1-26-14-4-2-5-15(27-7-3-6-19)18(14)13-8-16(25-24-13)23-17-11-21-12(9-20)10-22-17;2*1-5(2,3)4/h2,4-5,8,10-11H,3,6-7,19H2,1H3,(H2,22,23,24,25);2*1H3,(H,2,3,4)

Cas#: 1404095-34-6        Compound CID:  54758482

Formula:  C₂₀H₂₄N₈O₂        Molecular Weight: 408.47

IUPAC Name: 3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-yl]amino]pyrazine-2-carbonitrile

SMILES: CC(CN(C)C)OC1=NC(=CN=C1C#N)NC2=NC=C(C(=C2)OC)C3=CN(N=C3)C

InChIKey: IENLGMOXAQMNEH-CYBMUJFWSA-N

InChI: InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1

Cas#: 1200129-48-1       

Formula:  C₁₈H₁₉N₅O        Molecular Weight: 321.38

SMILES: N#CC1=NC=C2C(C3=CC=CN=C3N2)=C1OC4CCN(CC)CC4