Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 38801 | QS7 CHEMBL4761518 |
1 | C23 H23 Cl2 N5 O5 | InChI=1S/C23H23Cl2N5O5/c1 -5-17(31)27-13-9-35-10-14 (13)28-23-26-8-11-6-12(22 (32)30(2)21(11)29-23)18-1 9(24)15(33-3)7-16(34-4)20 (18)25/h5-8,13-14H,1,9-10 H2,2-4H3,(H,27,31)(H,26,2 8,29)/t13-,14+/m0/s1; ZIJVLVUPDVUSMA-UONOGXRCSA-N |
c13nc(ncc1C=C(c2c(c(OC)cc(c2Cl)OC)Cl)C(N 3C)=O)NC4C(COC4)NC(=O)[C@H]=C; CN1c2c(cn c(n2)N[C@@H]3COC[C@@H]3NC(=O)C=C)C=C(C1= O)c4c(c(cc(c4Cl)OC)OC)Cl; COc1cc(OC)c(Cl )c(c1Cl)C2=Cc3cnc(N[CH]4COC[CH]4NC(=O)C= C)nc3N(C)C2=O; CN1c2c(cnc(n2)NC3COCC3NC( =O)C=C)C=C(C1=O)c4c(c(cc(c4Cl)OC)OC)Cl; COc1cc(OC)c(Cl)c(c1Cl)C2=Cc3cnc(N[C@@H]4 COC[C@@H]4NC(=O)C=C)nc3N(C)C2=O |
N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide |
| 38802 | QS8 | 2 | C6 H11 F N2 O5 S | InChI=1S/C6H11FN2O5S/c7-6 -2-1-5(3-9(6)4-10)8-14-15 (11,12)13/h4-6,8H,1-3H2,( H,11,12,13)/t5-,6+/m1/s1; NHFNUMMVPZGHRV-RITPCOANSA-N |
C1CC(N(CC1NOS(=O)(=O)O)C=O)F; O[S](=O)(= O)ON[C@@H]1CC[C@@H](F)N(C1)C=O; O[S](=O) (=O)ON[CH]1CC[CH](F)N(C1)C=O; C1C[C@H](N (C[C@@H]1NOS(=O)(=O)O)C=O)F |
[[(3~{R},6~{R})-6-fluoranyl-1-methanoyl-piperidin-3-yl]amino] hydrogen sulfate |
| 38803 | QSA | 0 | C21 H20 N3 O S | InChI=1S/C21H19N3OS/c1-22 -20(25)14-24-18-9-5-6-10- 19(18)26-21(24)13-15-11-1 2-23(2)17-8-4-3-7-16(15)1 7/h3-13H,14H2,1-2H3/p+1; TZTFXKRTFIOKBN-UHFFFAOYSA-O |
CNC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3ccc c4)C; CNC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=C N(c4c3cccc4)C; CNC(=O)C[n+]1c(sc2ccccc12 )C=C3C=CN(C)c4ccccc34; CNC(=O)C[n+]1c(sc 2ccccc12)\C=C3/C=CN(C)c4ccccc34; C\1=CN( C)c4ccccc4C/1=C\c2[n+](CC(NC)=O)c3c(s2)c ccc3 |
~{N}-methyl-2-[2-[(~{E})-(1-methylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-yl]ethanamide |
| 38804 | QSB ZINC000002566180 |
6 | C7 H5 Br O3 | InChI=1S/C7H5BrO3/c8-5-3- 4(7(10)11)1-2-6(5)9/h1-3, 9H,(H,10,11); XMEQDAIDOBVHEK-UHFFFAOYSA-N |
OC(=O)c1ccc(O)c(Br)c1; c1cc(c(cc1C(=O)O) Br)O |
3 bromo 4 hydroxybenzoic acid; 3-bromanyl-4-oxidanyl-benzoic acid |
| 38805 | QSC CHEMBL19969 ZINC000006037146 |
4 | C8 H11 N | InChI=1S/C8H11N/c1-7(9)8- 5-3-2-4-6-8/h2-7H,9H2,1H3 /t7-/m1/s1; RQEUFEKYXDPUSK-SSDOTTSWSA-N |
C[C@H](c1ccccc1)N; C[CH](N)c1ccccc1; C[C @@H](N)c1ccccc1; NC(c1ccccc1)C; CC(c1ccc cc1)N |
(1R)-1-phenylethanamine |
| 38806 | QSD CHEMBL4636118 |
1 | C26 H24 N6 O | InChI=1S/C26H24N6O/c1-32- 18-23(17-30-32)22-11-12-2 4(29-16-22)31-26(33)25(21 -5-3-2-4-6-21)28-14-13-19 -7-9-20(15-27)10-8-19/h2- 12,16-18,25,28H,13-14H2,1 H3,(H,29,31,33)/t25-/m1/s 1; ZJGMOHOOSGHFMJ-RUZDIDTESA-N |
Cn1cc(cn1)c2ccc(nc2)NC(=O)C(c3ccccc3)NCC c4ccc(cc4)C#N; Cn1cc(cn1)c2ccc(nc2)NC(=O )[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N; Cn1cc (cn1)c2ccc(NC(=O)[C@H](NCCc3ccc(cc3)C#N) c4ccccc4)nc2; Cn1cc(cn1)c2ccc(NC(=O)[CH] (NCCc3ccc(cc3)C#N)c4ccccc4)nc2; Cn1ncc(c 1)c2cnc(cc2)NC(=O)C(c3ccccc3)NCCc4ccc(C# N)cc4 |
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide |
| 38807 | QSE ZINC000056874224 |
28 | C41 H54 O2 | InChI=1S/C41H54O2/c1-31(1 9-14-21-33(3)23-16-24-36( 6)40(42)29-30-41(9,10)43- 11)17-12-13-18-32(2)20-15 -22-34(4)25-27-39-28-26-3 5(5)37(7)38(39)8/h12-28H, 29-30H2,1-11H3/b13-12+,19 -14+,20-15+,23-16+,27-25+ ,31-17+,32-18+,33-21+,34- 22+,36-24+; FSQZIFSGNDUYRQ-TYKRLFMMSA-N |
Cc1ccc(c(c1C)C)C=CC(=CC=CC(=CC=CC=C(C)C= CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)C)C; CO C(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C )=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1ccc(C)c( C)c1C; COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC= CC(C)=CC=CC=C(C)C=CC=C(C)C=Cc1ccc(C)c(C) c1C; Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C =C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O) CCC(C)(C)OC)/C)/C |
all-trans okenone |
| 38808 | QSF | 1 | C19 H14 Cl N3 O2 | InChI=1S/C19H14ClN3O2/c1- 19(14-8-12(20)6-7-15(14)2 2-17(19)24)18(25)23-16-10 -21-9-11-4-2-3-5-13(11)16 /h2-10H,1H3,(H,22,24)(H,2 3,25)/t19-/m0/s1; FZPBWXZGXXKTLK-IBGZPJMESA-N |
C[C@]1(C(=O)Nc2ccc(Cl)cc12)C(=O)Nc3cncc4 ccccc34; Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc 1cncc2ccccc21; CC1(c2cc(ccc2NC1=O)Cl)C(= O)Nc3cncc4c3cccc4; C[C@@]1(c2cc(ccc2NC1= O)Cl)C(=O)Nc3cncc4c3cccc4; C[C]1(C(=O)Nc 2ccc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide |
| 38809 | QSG | 4 | C32 H48 N10 O20 | InChI=1S/C32H48N10O20/c43 -5-13-15(45)17(47)23(53)3 1(61-13)35-29(57)21(51)19 (49)27(55)33-1-9-3-41(39- 37-9)11-7-59-26-12(8-60-2 5(11)26)42-4-10(38-40-42) 2-34-28(56)20(50)22(52)30 (58)36-32-24(54)18(48)16( 46)14(6-44)62-32/h3-4,11- 26,31-32,43-54H,1-2,5-8H2 ,(H,33,55)(H,34,56)(H,35, 57)(H,36,58)/t11-,12-,13+ ,14+,15-,16-,17-,18+,19+, 20+,21+,22+,23+,24+,25+,2 6+,31+,32+/m0/s1; JJYDUQGILJLGLW-XRTDXAHQSA-N |
OC[CH]1O[CH](NC(=O)[CH](O)[CH](O)C(=O)NC c2cn(nn2)[CH]3CO[CH]4[CH](CO[CH]34)n5cc( CNC(=O)[CH](O)[CH](O)C(=O)N[CH]6O[CH](CO )[CH](O)[CH](O)[CH]6O)nn5)[CH](O)[CH](O) [CH]1O; c1c(nnn1C2COC3C2OCC3n4cc(nn4)CNC (=O)C(C(C(=O)NC5C(C(C(C(O5)CO)O)O)O)O)O) CNC(=O)C(C(C(=O)NC6C(C(C(C(O6)CO)O)O)O)O )O; OC[C@H]1O[C@@H](NC(=O)[C@H](O)[C@@H] (O)C(=O)NCc2cn(nn2)[C@H]3CO[C@@H]4[C@H]( CO[C@H]34)n5cc(CNC(=O)[C@H](O)[C@@H](O)C (=O)N[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O)[ C@H]6O)nn5)[C@H](O)[C@@H](O)[C@H]1O; N(C c5nnn(C4C3C(C(n2nnc(CNC(C(C(C(NC1C(C(C(C (CO)O1)O)O)O)=O)O)O)=O)c2)CO3)OC4)c5)C(C (C(C(NC6C(C(C(C(CO)O6)O)O)O)=O)O)O)=O; c 1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4c c(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C @@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)C NC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C @H]([C@H]([C@H](O6)CO)O)O)O)O)O |
(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name) |
| 38810 | QSH CHEMBL3181991 ZINC000000056596 |
3 | C7 H4 Br2 O3 | InChI=1S/C7H4Br2O3/c8-4-1 -3(7(11)12)2-5(9)6(4)10/h 1-2,10H,(H,11,12); PHWAJJWKNLWZGJ-UHFFFAOYSA-N |
c1c(cc(c(c1Br)O)Br)C(=O)O; OC(=O)c1cc(Br )c(O)c(Br)c1 |
3,5-bis(bromanyl)-4-oxidanyl-benzoic acid |
| 38811 | QSI CHEMBL1163072 ZINC000031976683 |
4 | C15 H22 N8 O8 S | InChI=1S/C15H22N8O8S/c16- 6(1-2-8(17)24)14(27)22-32 (28,29)30-3-7-10(25)11(26 )15(31-7)23-5-21-9-12(18) 19-4-20-13(9)23/h4-7,10-1 1,15,25-26H,1-3,16H2,(H2, 17,24)(H,22,27)(H2,18,19, 20)/t6-,7+,10+,11+,15+/m0 /s1; KXWKSWRGZLZHEF-WERHYGNASA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)N)N )O)O)N; N[CH](CCC(N)=O)C(=O)N[S](=O)(=O) OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncn c23; O=C(N)CCC(N)C(=O)NS(=O)(=O)OCC3OC(n 2cnc1c(ncnc12)N)C(O)C3O; N[C@@H](CCC(N)= O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H]( O)[C@@H]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1 )n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C(CCC (=O)N)N)O)O)N |
5'-O-[N-(L-GLUTAMINYL)-SULFAMOYL]ADENOSINE |
| 38812 | QSJ CHEMBL5440009 |
2 | C20 H20 Cl N O4 | InChI=1S/C20H20ClNO4/c1-1 2-9-16(22-11-17(23)18(24) 20(22)25)10-14(19(12)26-2 )6-3-13-4-7-15(21)8-5-13/ h3-10,17-18,23-24H,11H2,1 -2H3/b6-3+/t17-,18-/m1/s1; HMEZTOZNZTWJET-YNDRMARASA-N |
Cc1cc(cc(c1OC)C=Cc2ccc(cc2)Cl)N3CC(C(C3= O)O)O; c2(N1CC(C(C1=O)O)O)cc(c(c(c2)[C@H ]=[C@H]c3ccc(cc3)Cl)OC)C; COc1c(C)cc(cc1 /C=C/c2ccc(Cl)cc2)N3C[C@@H](O)[C@@H](O)C 3=O; Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C [C@H]([C@H](C3=O)O)O; COc1c(C)cc(cc1C=Cc 2ccc(Cl)cc2)N3C[CH](O)[CH](O)C3=O |
(3R,4R)-1-{3-[(E)-2-(4-chlorophenyl)ethenyl]-4-methoxy-5-methylphenyl}-3,4-dihydroxypyrrolidin-2-one |
| 38813 | QSK | 0 | C10 H13 F3 N3 O7 P | InChI=1S/C10H13F3N3O7P/c1 1-10(12,13)23-7-6(17)4(3- 21-24(19)20)22-8(7)16-2-1 -5(14)15-9(16)18/h1-2,4,6 -8,17,24H,3H2,(H,19,20)(H 2,14,15,18)/t4-,6-,7-,8-/ m1/s1; IPIXNCWZLCXCPY-XVFCMESISA-N |
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[PH](O)=O) [CH](O)[CH]2OC(F)(F)F; C1=CN(C(=O)N=C1N) [C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)O)O) OC(F)(F)F; C1=CN(C(=O)N=C1N)C2C(C(C(O2)C OP(=O)O)O)OC(F)(F)F; NC1=NC(=O)N(C=C1)[C @@H]2O[C@H](CO[PH](O)=O)[C@@H](O)[C@H]2O C(F)(F)F |
[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methoxyphosphinic acid |
| 38814 | QSL | 2 | C10 H12 N4 O2 S | InChI=1S/C10H12N4O2S/c15- 17(16)4-7(5-17)3-12-10-8- 1-2-11-9(8)13-6-14-10/h1- 2,6-7H,3-5H2,(H2,11,12,13 ,14); HQLHPXNPOGHZFK-UHFFFAOYSA-N |
O=S1(=O)CC(CNc2ncnc3[NH]ccc23)C1; c1c[nH ]c2c1c(ncn2)NCC3CS(=O)(=O)C3; O=[S]1(=O) CC(CNc2ncnc3[nH]ccc23)C1 |
3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione |
| 38815 | QSM | 4 | C24 H30 N2 O2 | InChI=1S/C24H30N2O2/c1-15 (2)23-19-13-17(16-9-11-25 -12-10-16)5-7-20(19)26-24 (23)18-6-8-21(27-3)22(14- 18)28-4/h5-8,13-16,25-26H ,9-12H2,1-4H3; XKWJVTCJPRLPJR-UHFFFAOYSA-N |
COc1ccc(cc1OC)c2[nH]c3ccc(cc3c2C(C)C)C4C CNCC4; N4CCC(c3cc2c(nc(c1cc(c(OC)cc1)OC) c2C(C)C)cc3)CC4; CC(C)c1c2cc(ccc2[nH]c1c 3ccc(c(c3)OC)OC)C4CCNCC4 |
2-(3,4-dimethoxyphenyl)-5-(piperidin-4-yl)-3-(propan-2-yl)-1H-indole |
| 38816 | QSN CHEMBL1738879 ZINC000035996436 |
1 | C12 H10 N6 O6 S | InChI=1S/C12H10N6O6S/c1-2 5(23,24)15-17-11(19)7-4-9 (16-3-2-13-6-16)10(18(21) 22)5-8(7)14-12(17)20/h2-6 ,15H,1H3,(H,14,20); CSIKZRHFFDICGQ-UHFFFAOYSA-N |
C[S](=O)(=O)NN1C(=O)Nc2cc(c(cc2C1=O)n3cc nc3)[N+]([O-])=O; CS(=O)(=O)NN1C(=O)c2cc (c(cc2NC1=O)[N+](=O)[O-])n3ccnc3; [O-][N +](=O)c2c(n1ccnc1)cc3C(=O)N(C(=O)Nc3c2)N S(=O)(=O)C |
N-[6-(1H-imidazol-1-yl)-7-nitro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methanesulfonamide |
| 38817 | QSO CHEMBL131921 DB15334 ZINC000018847037 |
6 | C16 H12 O5 | InChI=1S/C16H12O5/c1-20-1 1-4-2-9(3-5-11)12-8-21-14 -7-10(17)6-13(18)15(14)16 (12)19/h2-8,17-18H,1H3; WUADCCWRTIWANL-UHFFFAOYSA-N |
COc1ccc(cc1)C2=COc3cc(cc(c3C2=O)O)O; COc 1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O; O=C1c3 c(OC=C1c2ccc(OC)cc2)cc(O)cc3O |
5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Biochanin A |
| 38818 | QSP | 24 | C16 H27 N4 O13 P3 S | InChI=1S/C16H27N4O13P3S/c 1-9-12(4-6-32-36(30,31)33 -35(27,28)29)37-15(16(23, 34(24,25)26)5-3-13(21)22) 20(9)8-11-7-18-10(2)19-14 (11)17/h7,15,23H,3-6,8H2, 1-2H3,(H,21,22)(H,30,31)( H2,17,18,19)(H2,24,25,26) (H2,27,28,29)/t15-,16+/m1 /s1; XWZWGSGHSWWOAH-CVEARBPZSA-N |
Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)( O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O ; Cc1ncc(CN2[C@H](SC(=C2C)CCO[P](O)(=O)O [P](O)(O)=O)[C@](O)(CCC(O)=O)[P](O)(O)=O )c(N)n1; Cc1ncc(CN2[CH](SC(=C2C)CCO[P](O )(=O)O[P](O)(O)=O)[C](O)(CCC(O)=O)[P](O) (O)=O)c(N)n1; Cc1ncc(c(n1)N)CN2C(SC(=C2C )CCOP(=O)(O)OP(=O)(O)O)C(CCC(=O)O)(O)P(= O)(O)O |
(4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-oxidanyl-4-phosphono-butanoic acid |
| 38819 | QSQ | 0 | C11 H13 F3 N5 O6 P | InChI=1S/C11H13F3N5O6P/c1 2-11(13,14)25-7-6(20)4(1- 23-26(21)22)24-10(7)19-3- 18-5-8(15)16-2-17-9(5)19/ h2-4,6-7,10,20-22H,1H2,(H 2,15,16,17)/t4-,6-,7-,10- /m1/s1; QTJSXSSMPAZFOY-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(O)O)O)O C(F)(F)F)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@ H]([C@@H]([C@H](O3)COP(O)O)O)OC(F)(F)F)N ; Nc1ncnc2n(cnc12)[CH]3O[CH](COP(O)O)[CH ](O)[CH]3OC(F)(F)F; Nc1ncnc2n(cnc12)[C@@ H]3O[C@H](COP(O)O)[C@@H](O)[C@H]3OC(F)(F )F |
[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-(trifluoromethyloxy)oxolan-2-yl]methyl dihydrogen phosphite |
| 38820 | QSR | 4 | C81 H150 O17 P2 | InChI=1S/C81H150O17P2/c1- 5-9-13-17-21-25-29-33-37- 41-45-49-53-57-61-65-78(8 3)91-71-76(97-80(85)67-63 -59-55-51-47-43-39-35-31- 27-23-19-15-11-7-3)73-95- 99(87,88)93-69-75(82)70-9 4-100(89,90)96-74-77(98-8 1(86)68-64-60-56-52-48-44 -40-36-32-28-24-20-16-12- 8-4)72-92-79(84)66-62-58- 54-50-46-42-38-34-30-26-2 2-18-14-10-6-2/h33-40,75- 77,82H,5-32,41-74H2,1-4H3 ,(H,87,88)(H,89,90)/b37-3 3-,38-34-,39-35-,40-36-/t 76-,77-/m1/s1; TWHQNHQPSCPQNY-WVRHUKEESA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC (COP(=O)(O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC )OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCC CC=CCCCCCCCC; CCCCCCCC/C=C\CCCCCCCC(=O)O C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(= O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C =C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC) O)O; O=C(OC(COC(=O)CCCCCCC\C=C/CCCCCCCC) COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCC CCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCC CCCC)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCC=CCC CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO [P](O)(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCC CC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCC CC=CCCCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)O C[C@H](CO[P](O)(=O)OC[C@@H](O)CO[P](O)(= O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)O C(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\ C=C/CCCCCCCC |
(9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip hosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate; tetraoleyl-cardiolipin |
| 38821 | QSS CHEMBL1879790 ZINC000000555435 |
1 | C11 H17 N3 | InChI=1S/C11H17N3/c1-13-6 -8-14(9-7-13)11-5-3-2-4-1 0(11)12/h2-5H,6-9,12H2,1H 3; INWHDRNGZMHXEZ-UHFFFAOYSA-N |
c1cccc(c1N2CCN(C)CC2)N; CN1CCN(CC1)c2ccc cc2N |
2-(4-methylpiperazin-1-yl)aniline |
| 38822 | QST CHEMBL5396807 |
9 | C10 H17 N O4 S2 | InChI=1S/C10H17NO4S2/c1-4 -15-8(14)10(5-16)11-6(7(1 2)13)9(2,3)17-10/h6,11,16 H,4-5H2,1-3H3,(H,12,13)/t 6-,10+/m0/s1; PUOMKKVEJFJZFE-QUBYGPBYSA-N |
CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS; CCOC( =O)[C@]1(CS)N[C@@H](C(O)=O)C(C)(C)S1; CC OC(=O)[C@@]1(N[C@H](C(S1)(C)C)C(=O)O)CS; CCOC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1 |
(2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| 38823 | QSV | 0 | C20 H24 N8 S | InChI=1S/C20H24N8S/c1-11( 25-27-19(21)23-3)13-5-7-1 7-15(9-13)16-10-14(6-8-18 (16)29-17)12(2)26-28-20(2 2)24-4/h5-10H,1-4H3,(H3,2 1,23,27)(H3,22,24,28)/b25 -11+,26-12+; XCSSSGMWRCNFBK-KOZSXFMUSA-N |
CNC(=N)N\N=C(/C)c1ccc2sc3ccc(cc3c2c1)\C( C)=N\NC(=N)NC; CC(=NNC(=N)NC)c1ccc2c(c1) c3cc(ccc3s2)C(=NNC(=N)NC)C; CNC(=N)NN=C( C)c1ccc2sc3ccc(cc3c2c1)C(C)=NNC(=N)NC; N (/NC(\NC)=N)=C(/C)c1ccc3c(c1)c2cc(ccc2s3 )\C(=N\N/C(NC)=N)C; [H]/N=C(\N/N=C(/c1cc 2c3c(sc2cc1)ccc(c3)/C(=N/N/C(=N/[H])/NC) /C)\C)/NC |
(2E,2'E)-2,2'-{dibenzo[b,d]thiene-2,8-diyldi[(1E)eth-1-yl-1-ylidene]}bis(N-methylhydrazine-1-carboximidamide) |
| 38824 | QSW | 5 | C12 H13 F O2 S | InChI=1S/C12H13FO2S/c13-9 -3-4-11-10(8-1-2-8)5-6-16 (14,15)12(11)7-9/h3-4,7-8 ,10H,1-2,5-6H2/t10-/m1/s1; LCGAHPABZOKLPB-SNVBAGLBSA-N |
c1cc2c(cc1F)S(=O)(=O)CCC2C3CC3; Fc1ccc2[ C@H](CC[S](=O)(=O)c2c1)C3CC3; c1cc2c(cc1 F)S(=O)(=O)CC[C@@H]2C3CC3; Fc1ccc2[CH](C C[S](=O)(=O)c2c1)C3CC3 |
(4~{R})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide; BPAM549 |
| 38825 | QSX | 1 | C27 H27 Cl N4 O3 | InChI=1S/C27H27ClN4O3/c1- 31-15-20-11-19(31)16-32(2 0)25(33)12-27(8-9-35-24-7 -6-18(28)10-22(24)27)26(3 4)30-23-14-29-13-17-4-2-3 -5-21(17)23/h2-7,10,13-14 ,19-20H,8-9,11-12,15-16H2 ,1H3,(H,30,34)/t19-,20-,2 7-/m0/s1; QQWBTWVCIPHEIH-OSOCVKALSA-N |
CN1C[C@@H]2C[C@H]1CN2C(=O)C[C@]3(CCOc4c3 cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6; CN1C[C@@ H]2C[C@H]1CN2C(=O)C[C@]3(CCOc4ccc(Cl)cc3 4)C(=O)Nc5cncc6ccccc56; CN1CC2CC1CN2C(=O )CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc 21; CN1CC2CC1CN2C(=O)CC3(CCOc4c3cc(cc4)C l)C(=O)Nc5cncc6c5cccc6; CN1C[CH]2C[CH]1C N2C(=O)C[C]3(CCOc4ccc(Cl)cc34)C(=O)Nc5cn cc6ccccc56 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38826 | QSY | 0 | C21 H29 N4 O2 | InChI=1S/C21H28N4O2/c1-24 (15-7-4-3-5-8-15)11-6-12- 25-14-22-19-17-13-16(27-2 )9-10-18(17)23-20(19)21(2 5)26/h9-10,13-15,23H,3-8, 11-12H2,1-2H3/p+1; ZZYFLPWOLNEUGF-UHFFFAOYSA-O |
c4(ccc3nc1c(N=CN(C1=O)CCC[NH+](C2CCCCC2) C)c3c4)OC; C[NH+](CCCN1C=Nc2c3cc(ccc3[nH ]c2C1=O)OC)C4CCCCC4; COc1ccc2[nH]c3C(=O) N(CCC[NH+](C)C4CCCCC4)C=Nc3c2c1 |
N-[3-(8-methoxy-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)propyl]-N-methylcyclohexanaminium |
| 38827 | QSZ | 5 | C12 H13 F O2 S | InChI=1S/C12H13FO2S/c13-9 -3-4-11-10(8-1-2-8)5-6-16 (14,15)12(11)7-9/h3-4,7-8 ,10H,1-2,5-6H2/t10-/m0/s1; LCGAHPABZOKLPB-JTQLQIEISA-N |
c1cc2c(cc1F)S(=O)(=O)CCC2C3CC3; Fc1ccc2[ CH](CC[S](=O)(=O)c2c1)C3CC3; c1cc2c(cc1F )S(=O)(=O)CC[C@H]2C3CC3; Fc1ccc2[C@@H](C C[S](=O)(=O)c2c1)C3CC3 |
(4~{S})-4-cyclopropyl-7-fluoranyl-3,4-dihydro-2~{H}-thiochromene 1,1-dioxide; BPAM549 |
| 38828 | QT0 | 1 | C17 H15 F N6 O2 | InChI=1S/C17H15FN6O2/c18- 10-3-4-11-12(6-10)21-14-1 3(11)15(20-8-19-14)24-5-1 -2-9(7-24)16-22-23-17(25) 26-16/h3-4,6,8-9H,1-2,5,7 H2,(H,23,25)(H,19,20,21)/ t9-/m1/s1; HVWUCQLKBDJYJU-SECBINFHSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)C5= NNC(=O)O5; Fc1ccc2c([nH]c3ncnc(N4CCC[CH] (C4)C5=NNC(=O)O5)c23)c1; c1cc2c(cc1F)[nH ]c3c2c(ncn3)N4CCC[C@H](C4)C5=NNC(=O)O5; Fc1ccc2c([nH]c3ncnc(N4CCC[C@H](C4)C5=NNC (=O)O5)c23)c1; O=C1NN=C(O1)C1CN(CCC1)c1n cnc2[NH]c3cc(F)ccc3c21 |
5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one |
| 38829 | QT1 | 1 | C26 H20 N8 O | InChI=1S/C26H20N8O/c1-16- 8-9-18(26(35)30-20-7-3-5- 17(11-20)13-27)12-22(16)3 1-24-21-15-29-34(2)25(21) 33-23(32-24)19-6-4-10-28- 14-19/h3-12,14-15H,1-2H3, (H,30,35)(H,31,32,33); ASMWZAVRNQGHAB-UHFFFAOYSA-N |
Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C#N )nc(nc12)c5cccnc5; Cc1ccc(cc1Nc2c3cnn(c3 nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C#N |
~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
| 38830 | QT2 | 7 | C10 H17 N O4 S2 | InChI=1S/C10H17NO4S2/c1-4 -15-8(14)10(5-16)11-6(7(1 2)13)9(2,3)17-10/h6,11,16 H,4-5H2,1-3H3,(H,12,13)/t 6-,10-/m1/s1; PUOMKKVEJFJZFE-LHLIQPBNSA-N |
CCOC(=O)[C@@]1(N[C@@H](C(S1)(C)C)C(=O)O) CS; CCOC(=O)C1(NC(C(S1)(C)C)C(=O)O)CS; C COC(=O)[C]1(CS)N[CH](C(O)=O)C(C)(C)S1; C COC(=O)[C@]1(CS)N[C@H](C(O)=O)C(C)(C)S1 |
(2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| 38831 | QT3 | 1 | C20 H18 Cl N3 O | InChI=1S/C20H18ClN3O/c1-2 4-9-8-13-6-7-15(21)10-17( 13)19(24)20(25)23-18-12-2 2-11-14-4-2-3-5-16(14)18/ h2-7,10-12,19H,8-9H2,1H3, (H,23,25)/t19-/m1/s1; NHDKKXCWRNZVNJ-LJQANCHMSA-N |
CN1CCc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc 4)Cl; Clc1ccc2CCN(C)C(c2c1)C(=O)Nc1cncc2 ccccc21; CN1CCc2ccc(Cl)cc2[CH]1C(=O)Nc3c ncc4ccccc34; CN1CCc2ccc(Cl)cc2[C@@H]1C(= O)Nc3cncc4ccccc34; CN1CCc2ccc(cc2C1C(=O) Nc3cncc4c3cccc4)Cl |
(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| 38832 | QT4 | 4 | C14 H17 B F2 N3 O | InChI=1S/C14H17BF2N3O/c1- 9-6-10(2)19-14(9)7-12-4-5 -13(8-18-11(3)21)20(12)15 (19,16)17/h4-6H,7-8H2,1-3 H3,(H,18,21); ICEVSDSYCIWMTJ-UHFFFAOYSA-N |
B1(n2c(cc(c2Cc3n1c(cc3)CNC(=O)C)C)C)(F)F ; CC(=O)NCc1ccc2Cc3n(c(C)cc3C)[B](F)(F)n 12 |
~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide |
| 38833 | QT5 ZINC000012370672 |
6 | C11 H13 N3 | InChI=1S/C11H13N3/c1-9-13 -5-6-14(9)11-4-2-3-10(7-1 1)8-12/h2-7H,8,12H2,1H3; CECWODAAUDOPCU-UHFFFAOYSA-N |
Cc1nccn1c2cccc(c2)CN; Cc1nccn1c2cccc(CN) c2 |
[3-(2-methylimidazol-1-yl)phenyl]methanamine |
| 38834 | QT6 | 1 | C18 H19 F N4 O2 | InChI=1S/C18H19FN4O2/c19- 12-4-5-13-14(8-12)22-17-1 6(13)18(21-10-20-17)23-7- 1-2-11(9-23)3-6-15(24)25/ h4-5,8,10-11H,1-3,6-7,9H2 ,(H,24,25)(H,20,21,22)/t1 1-/m0/s1; GCGYUCGJMQIASH-NSHDSACASA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC[C@H](C4 )CCC(=O)O; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4 CCCC(C4)CCC(=O)O; OC(=O)CC[C@@H]1CCCN(C1 )c2ncnc3[nH]c4cc(F)ccc4c23; OC(=O)CC[CH] 1CCCN(C1)c2ncnc3[nH]c4cc(F)ccc4c23; O=C( O)CCC1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 |
3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid |
| 38835 | QT7 | 1 | C11 H20 Cl N O3 S | InChI=1S/C11H20ClNO3S/c1- 11(2,3)8-13(10(14)6-12)9- 4-5-17(15,16)7-9/h9H,4-8H 2,1-3H3/t9-/m1/s1; NMHVAHHYKGXBMY-SECBINFHSA-N |
CC(C)(C)CN([C@@H]1CC[S](=O)(=O)C1)C(=O)C Cl; CC(C)(C)CN([C@@H]1CCS(=O)(=O)C1)C(=O )CCl; CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CC l; N(CC(C)(C)C)(C1CCS(C1)(=O)=O)C(CCl)=O ; CC(C)(C)CN([CH]1CC[S](=O)(=O)C1)C(=O)C Cl |
2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetamide |
| 38836 | QT8 ZINC000000901313 |
10 | C5 H8 O3 | InChI=1S/C5H8O3/c1-2-4(6) 3-5(7)8/h2-3H2,1H3,(H,7,8 ); FHSUFDYFOHSYHI-UHFFFAOYSA-N |
CCC(=O)CC(O)=O; CCC(=O)CC(=O)O | 3-oxidanylidenepentanoic acid; 3-oxovalerate |
| 38837 | QT9 CHEMBL5274503 |
1 | C31 H34 N8 O3 | InChI=1S/C31H34N8O3/c1-31 (2,41)26-10-7-11-27(34-26 )39-28-23(29(40)38(39)24- 8-5-6-9-25(24)42-4)20-32- 30(35-28)33-21-12-14-22(1 5-13-21)37-18-16-36(3)17- 19-37/h5-15,20,41H,16-19H 2,1-4H3,(H,32,33,35); YRSUINBEIRGTSA-UHFFFAOYSA-N |
COc1ccccc1N2N(c3cccc(n3)C(C)(C)O)c4nc(Nc 5ccc(cc5)N6CCN(C)CC6)ncc4C2=O; CC(C)(c1c ccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5 )C)C(=O)N2c6ccccc6OC)O |
2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one |
| 38838 | QTA ZINC000000446046 |
3 | C12 H11 N O4 S2 | InChI=1S/C12H11NO4S2/c13- 19(16,17)12-8-4-7-11(9-12 )18(14,15)10-5-2-1-3-6-10 /h1-9H,(H2,13,16,17); XYMATFXFXPYYNY-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)(=O)N; N[S](=O)(=O)c1cccc(c1)[S](=O)(=O)c2cccc c2; c1(cc(S(N)(=O)=O)ccc1)S(c2ccccc2)(=O )=O |
3-(phenylsulfonyl)benzene-1-sulfonamide |
| 38839 | QTB | 3 | C18 H28 O | InChI=1S/C18H28O/c1-14(8- 6-10-16(3)19)11-12-17-15( 2)9-7-13-18(17,4)5/h6,8,1 0-12,15,17H,7,9,13H2,1-5H 3/b10-6+,12-11+,14-8+/t15 -,17+/m1/s1; WXNCHUZBWWHNPM-FHRFKLSGSA-N |
C[C@@H]1CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/ C(C)=O; C[CH]1CCCC(C)(C)[CH]1C=CC(C)=CC= CC(C)=O; C[C@@H]1CCCC(C1/C=C/C(=C/C=C/C( =O)C)/C)(C)C; CC1CCCC(C1C=CC(=CC=CC(=O)C )C)(C)C |
(3~{E},5~{E},7~{E})-6-methyl-8-[(6~{R})-2,2,6-trimethylcyclohexyl]octa-3,5,7-trien-2-one |
| 38840 | QTC | 1 | C19 H17 Cl N2 O | InChI=1S/C19H17ClN2O/c1-2 -13-7-14(9-16(20)8-13)10- 19(23)22-18-12-21-11-15-5 -3-4-6-17(15)18/h3-9,11-1 2H,2,10H2,1H3,(H,22,23); AJZWQKNTPFPYEK-UHFFFAOYSA-N |
CCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3; C Cc1cc(Cl)cc(CC(=O)Nc2cncc3ccccc23)c1; CC c1cc(cc(Cl)c1)CC(=O)Nc1cncc2ccccc21 |
2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide |
| 38841 | QTD CHEMBL4641882 ZINC000000366440 |
1 | C12 H11 N O3 S | InChI=1S/C12H11NO3S/c13-1 7(14,15)12-8-6-11(7-9-12) 16-10-4-2-1-3-5-10/h1-9H, (H2,13,14,15); JVMQLNXAPHLKDV-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N; c2(Oc1c cc(S(N)(=O)=O)cc1)ccccc2; N[S](=O)(=O)c1 ccc(Oc2ccccc2)cc1 |
4-phenoxybenzene-1-sulfonamide |
| 38842 | QTE ZINC000001699964 |
0 | C7 H14 | InChI=1S/C7H14/c1-7-5-3-2 -4-6-7/h7H,2-6H2,1H3; UAEPNZWRGJTJPN-UHFFFAOYSA-N |
CC1CCCCC1 | methylcyclohexane |
| 38843 | QTF | 1 | C18 H16 F2 N4 O2 | InChI=1S/C18H16F2N4O2/c19 -10-2-3-11-12(6-10)23-14- 13(11)15(22-9-21-14)24-7- 17(4-1-5-17)18(20,8-24)16 (25)26/h2-3,6,9H,1,4-5,7- 8H2,(H,25,26)(H,21,22,23) /t18-/m1/s1; GUQNCACKKADRCK-GOSISDBHSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC5(CCC5)C( C4)(C(=O)O)F; c1cc2c(cc1F)[nH]c3c2c(ncn3 )N4C[C@](C5(C4)CCC5)(C(=O)O)F; OC(=O)[C] 1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc(F)ccc5c3 4; OC(=O)[C@]1(F)CN(CC12CCC2)c3ncnc4[nH] c5cc(F)ccc5c34; O=C(O)C1(F)CN(CC21CCC2)c 1ncnc2[NH]c3cc(F)ccc3c12 |
(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
| 38844 | QTG CHEMBL4644614 ZINC000016319730 |
1 | C10 H14 F N O2 S | InChI=1S/C10H14FNO2S/c1-3 -6-12-15(13,14)10-5-4-9(1 1)7-8(10)2/h4-5,7,12H,3,6 H2,1-2H3; LGSOITBLNVRJPM-UHFFFAOYSA-N |
CCCN[S](=O)(=O)c1ccc(F)cc1C; c1c(c(cc(c1 )F)C)S(NCCC)(=O)=O; CCCNS(=O)(=O)c1ccc(c c1C)F |
4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide |
| 38845 | QTH CHEMBL4802640 |
2 | C22 H23 N2 | InChI=1S/C22H23N2/c1-2-6- 20(7-3-1)21-10-8-19(9-11- 21)18-23-16-12-22(13-17-2 3)24-14-4-5-15-24/h1-3,6- 13,16-17H,4-5,14-15,18H2/ q+1; XOUNRIZMFAXTRS-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC 4; C1CCN(C1)c2cc[n+](Cc3ccc(cc3)c4ccccc4 )cc2 |
1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine |
| 38846 | QTI | 2 | C21 H22 F N3 O4 S3 | InChI=1S/C21H22FN3O4S3/c2 2-20-7-2-1-6-19(20)21-9-8 -16(30-21)15-24-10-12-25( 13-11-24)32(28,29)18-5-3- 4-17(14-18)31(23,26)27/h1 -9,14H,10-13,15H2,(H2,23, 26,27); WDLYMEBZGQFHSM-UHFFFAOYSA-N |
c1ccc(c(c1)c2ccc(s2)CN3CCN(CC3)S(=O)(=O) c4cccc(c4)S(=O)(=O)N)F; N[S](=O)(=O)c1cc cc(c1)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4c cccc4F |
3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonylbenzenesulfonamide |
| 38847 | QTJ CHEMBL4643768 |
1 | C12 H9 Cl F N O3 S | InChI=1S/C12H9ClFNO3S/c13 -11-7-9(3-6-12(11)14)18-8 -1-4-10(5-2-8)19(15,16)17 /h1-7H,(H2,15,16,17); XBWNRHYUEDLQBP-UHFFFAOYSA-N |
NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O; c1 cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N; N[S] (=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1 |
4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
| 38848 | QTK CHEMBL1789489 ZINC000071359440 |
2 | C16 H19 N2 | InChI=1S/C16H19N2/c1-2-6- 15(7-3-1)14-17-12-8-16(9- 13-17)18-10-4-5-11-18/h1- 3,6-9,12-13H,4-5,10-11,14 H2/q+1; HEIRUXZPJJZCAO-UHFFFAOYSA-N |
c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3; C1CCN(C 1)c2cc[n+](Cc3ccccc3)cc2 |
1-(phenylmethyl)-4-pyrrolidin-1-yl-pyridin-1-ium |
| 38849 | QTL | 1 | C19 H16 Cl N3 O | InChI=1S/C19H16ClN3O/c20- 14-6-5-12-7-8-22-18(16(12 )9-14)19(24)23-17-11-21-1 0-13-3-1-2-4-15(13)17/h1- 6,9-11,18,22H,7-8H2,(H,23 ,24)/t18-/m1/s1; RTYGDBGOBVKIGM-GOSISDBHSA-N |
Clc1ccc2CCN[CH](C(=O)Nc3cncc4ccccc34)c2c 1; Clc1ccc2CCN[C@@H](C(=O)Nc3cncc4ccccc3 4)c2c1; c1ccc2c(c1)cncc2NC(=O)C3c4cc(ccc 4CCN3)Cl; c1ccc2c(c1)cncc2NC(=O)[C@H]3c4 cc(ccc4CCN3)Cl; Clc1ccc2CCNC(c2c1)C(=O)N c1cncc2ccccc21 |
(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| 38850 | QTM CHEMBL4636993 |
1 | C14 H14 Cl F N2 O3 S | InChI=1S/C14H14ClFN2O3S/c 15-12-8-10(1-3-13(12)16)2 1-14-4-2-11(22(18,19)20)7 -9(14)5-6-17/h1-4,7-8H,5- 6,17H2,(H2,18,19,20); WDVWTPNEVTYLQC-UHFFFAOYSA-N |
c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F; NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O) =O; NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c 2)F |
3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
| 38851 | QTN | 4 | C26 H27 Cl N4 O5 S | InChI=1S/C26H27ClN4O5S/c1 -37(2,33)31-17-9-7-15(8-1 0-17)14-3-5-16(6-4-14)22- 18(27)11-19-25(29-22)30-2 6(28-19)36-21-13-35-23-20 (32)12-34-24(21)23/h3-11, 20-21,23-24,31-33H,12-13H 2,1-2H3,(H,28,29,30)/t20- ,21-,23-,24-/m1/s1; LFEPFIOGKSTJHX-LUGTWXOSSA-N |
C[S](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH] c(O[CH]5CO[CH]6[CH](O)CO[CH]56)nc4cc3Cl; CS(C)(Nc1ccc(cc1)c2ccc(cc2)c3c(cc4c(n3) [nH]c(n4)OC5COC6C5OCC6O)Cl)O; CS(C)(Nc1c cc(cc1)c2ccc(cc2)c3c(cc4c(n3)[nH]c(n4)O[ C@@H]5CO[C@H]6[C@@H]5OC[C@H]6O)Cl)O; C[S ](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH]c(O [C@@H]5CO[C@@H]6[C@H](O)CO[C@H]56)nc4cc3 Cl |
(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol |
| 38852 | QTO | 1 | C18 H19 F N4 O2 | InChI=1S/C18H19FN4O2/c19- 18(16(24)25)11-23(10-17(1 8)7-4-8-17)15-9-14(20-12- 21-15)22-13-5-2-1-3-6-13/ h1-3,5-6,9,12H,4,7-8,10-1 1H2,(H,24,25)(H,20,21,22) /t18-/m0/s1; SGZPNVIZJRFOKP-SFHVURJKSA-N |
OC(=O)[C@@]1(F)CN(CC12CCC2)c3cc(Nc4ccccc 4)ncn3; c1ccc(cc1)Nc2cc(ncn2)N3CC4(CCC4) C(C3)(C(=O)O)F; O=C(O)C1(F)CN(CC21CCC2)c 1cc(Nc2ccccc2)ncn1; c1ccc(cc1)Nc2cc(ncn2 )N3C[C@@](C4(C3)CCC4)(C(=O)O)F; OC(=O)[C ]1(F)CN(CC12CCC2)c3cc(Nc4ccccc4)ncn3 |
(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
| 38853 | QTP ZINC000098209339 |
1 | C12 H18 N3 O12 P3 | InChI=1S/C12H18N3O12P3/c1 -7-2-3-13-12-11(7)14-6-15 (12)10-4-8(16)9(25-10)5-2 4-29(20,21)27-30(22,23)26 -28(17,18)19/h2-3,6,8-10, 16H,4-5H2,1H3,(H,20,21)(H ,22,23)(H2,17,18,19)/t8-, 9+,10+/m0/s1; LSFMZRZQGVHWHK-IVZWLZJFSA-N |
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1 c(ccnc12)C)CC3O; Cc1ccnc2c1ncn2C3CC(C(O3 )COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O; Cc1ccn c2c1ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O )OP(=O)(O)OP(=O)(O)O)O; Cc1ccnc2n(cnc12) [C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O )(=O)O[P](O)(O)=O)O3; Cc1ccnc2n(cnc12)[C H]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O [P](O)(O)=O)O3 |
3-{2-deoxy-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7-methyl-3H-imidazo[4,5-b]pyridine |
| 38854 | QTQ ZINC000001083909 |
2 | C4 H8 O4 S | InChI=1S/C4H8O4S/c5-3-1-9 (7,8)2-4(3)6/h3-6H,1-2H2/ t3-,4-/m0/s1; LDVDYVUZEKIBDP-IMJSIDKUSA-N |
O[C@H]1C[S](=O)(=O)C[C@@H]1O; C1[C@@H]([ C@H](CS1(=O)=O)O)O; O[CH]1C[S](=O)(=O)C[ CH]1O; C1C(C(CS1(=O)=O)O)O |
(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol |
| 38855 | QTR CHEMBL1098659 DB09145 |
0 | O | InChI=1/H2O/h1H2; XLYOFNOQVPJJNP-UHFFFAOYAF |
O; [O] | OXYGEN OF QUINONE |
| 38856 | QTS CHEMBL1314048 ZINC000000184014 |
1 | C14 H12 Cl N3 | InChI=1S/C14H12ClN3/c15-1 1-7-5-10(6-8-11)9-18-13-4 -2-1-3-12(13)17-14(18)16/ h1-8H,9H2,(H2,16,17); HKBJSDNECZUKSR-UHFFFAOYSA-N |
c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N; n3c1c(c ccc1)n(Cc2ccc(cc2)Cl)c3N; Nc1nc2ccccc2n1 Cc3ccc(Cl)cc3 |
1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine |
| 38857 | QTT | 2 | C23 H32 N4 O2 | InChI=1S/C23H32N4O2/c1-17 -8-6-10-19(24-17)14-26(3) 21-12-4-5-13-22(21)27(16- 23(28)29)15-20-11-7-9-18( 2)25-20/h6-11,21-22H,4-5, 12-16H2,1-3H3,(H,28,29)/t 21-,22-/m0/s1; SKWHQCFCFFYXHR-VXKWHMMOSA-N |
Cc1cccc(n1)CN(C)C2CCCCC2N(Cc3cccc(n3)C)C C(=O)O; CN(Cc1cccc(C)n1)[C@H]2CCCC[C@@H] 2N(CC(O)=O)Cc3cccc(C)n3; Cc1cccc(n1)CN(C )[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O ; CN(Cc1cccc(C)n1)[CH]2CCCC[CH]2N(CC(O)= O)Cc3cccc(C)n3 |
2-[[(1~{S},2~{S})-2-[methyl-[(6-methylpyridin-2-yl)methyl]amino]cyclohexyl]-[(6-methylpyridin-2-yl)methyl]amino]ethanoic acid |
| 38858 | QTU ZINC000000085938 |
2 | C7 H8 O2 S | InChI=1S/C7H8O2S/c8-7(9)4 -3-6-2-1-5-10-6/h1-2,5H,3 -4H2,(H,8,9); MJPVYTKZYZPIQA-UHFFFAOYSA-N |
c1cc(sc1)CCC(=O)O; OC(=O)CCc1sccc1; C(CC c1cccs1)(=O)O |
3-(thiophen-2-yl)propanoic acid |
| 38859 | QTV CHEMBL4635871 ZINC000000083480 |
1 | C11 H10 F N3 O2 | InChI=1S/C11H10FN3O2/c1-8 -13-11(15(16)17)7-14(8)6- 9-2-4-10(12)5-3-9/h2-5,7H ,6H2,1H3; ANWLFOLYHZHQIN-UHFFFAOYSA-N |
Cc1nc(cn1Cc2ccc(F)cc2)[N+]([O-])=O; Cc1n c(cn1Cc2ccc(cc2)F)[N+](=O)[O-]; n2c(cn(C c1ccc(cc1)F)c2C)[N+]([O-])=O |
1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole |
| 38860 | QTW CHEMBL4852287 |
1 | C25 H38 N6 O8 S | InChI=1S/C25H38N6O8S/c1-1 6(2)11-20(26)25(35)29-40( 36,37)39-15-21-23(33)22(3 2)18(14-38-21)9-6-10-31-1 3-19(28-30-31)12-27-24(34 )17-7-4-3-5-8-17/h3-5,7-8 ,13,16,18,20-23,32-33H,6, 9-12,14-15,26H2,1-2H3,(H, 27,34)(H,29,35)/t18-,20+, 21-,22+,23-/m1/s1; DTPWNCFCVLJKIS-ZADIZFFCSA-N |
CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O C[C@@H](CCCn2cc(CNC(=O)c3ccccc3)nn2)[C@H ](O)[C@@H]1O; CC(C)C[CH](N)C(=O)N[S](=O) (=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc 3)nn2)[CH](O)[CH]1O; CC(C)CC(C(=O)NS(=O) (=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNC(=O)c3c cccc3)O)O)N; CC(C)C[C@@H](C(=O)NS(=O)(=O )OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc (nn2)CNC(=O)c3ccccc3)O)O)N |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 38861 | QTX | 1 | C25 H19 Cl2 N7 O | InChI=1S/C25H19Cl2N7O/c1- 14-5-6-15(25(35)30-19-10- 17(26)9-18(27)11-19)8-21( 14)31-23-20-13-29-34(2)24 (20)33-22(32-23)16-4-3-7- 28-12-16/h3-13H,1-2H3,(H, 30,35)(H,31,32,33); MTFBPWRBMAVOLM-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C( =O)Nc5cc(cc(c5)Cl)Cl; Cn1ncc2c(Nc3cc(ccc 3C)C(=O)Nc4cc(Cl)cc(Cl)c4)nc(nc12)c5cccn c5 |
~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
| 38862 | QTY | 4 | C32 H48 N10 O16 | InChI=1S/C32H48N10O16/c43 -9-17-23(49)25(51)27(53)3 1(57-17)35-21(47)3-1-19(4 5)33-5-13-7-41(39-37-13)1 5-11-55-30-16(12-56-29(15 )30)42-8-14(38-40-42)6-34 -20(46)2-4-22(48)36-32-28 (54)26(52)24(50)18(10-44) 58-32/h7-8,15-18,23-32,43 -44,49-54H,1-6,9-12H2,(H, 33,45)(H,34,46)(H,35,47)( H,36,48)/t15-,16-,17+,18+ ,23-,24-,25-,26-,27+,28+, 29+,30+,31+,32+/m0/s1; WUNJKQMXDITVGU-ADJUJXGJSA-N |
C1(C(C(O)C(O)C(O1)CO)O)NC(=O)CCC(NCc2nnn (c2)C3COC6C3OCC6n4nnc(c4)CNC(=O)CCC(NC5O C(CO)C(C(C5O)O)O)=O)=O; c1c(nnn1C2COC3C2 OCC3n4cc(nn4)CNC(=O)CCC(=O)NC5C(C(C(C(O5 )CO)O)O)O)CNC(=O)CCC(=O)NC6C(C(C(C(O6)CO )O)O)O; OC[CH]1O[CH](NC(=O)CCC(=O)NCc2cn (nn2)[CH]3CO[CH]4[CH](CO[CH]34)n5cc(CNC( =O)CCC(=O)N[CH]6O[CH](CO)[CH](O)[CH](O)[ CH]6O)nn5)[CH](O)[CH](O)[CH]1O; OC[C@H]1 O[C@@H](NC(=O)CCC(=O)NCc2cn(nn2)[C@H]3CO [C@@H]4[C@H](CO[C@H]34)n5cc(CNC(=O)CCC(= O)N[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H ]6O)nn5)[C@H](O)[C@@H](O)[C@H]1O; c1c(nn n1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4 )CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H] ([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6 [C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O |
N-[[1-[(3S,3aR,6S,6aR)-6-[4-[[[4-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-N'-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide |
| 38863 | QTZ | 0 | C37 H61 N O13 | InChI=1S/C37H61NO13/c1-11 -27-37(43,18-46-36-33(45- 10)32(44-9)29(41)23(6)48- 36)34-26(49-34)14-13-25(3 9)20(3)16-21(4)31(19(2)12 -15-28(40)50-27)51-35-30( 42)24(38(7)8)17-22(5)47-3 5/h12-15,19-24,26-27,29-3 6,41-43H,11,16-18H2,1-10H 3/b14-13+,15-12+/t19-,20+ ,21-,22+,23+,24-,26+,27+, 29+,30+,31+,32+,33+,34-,3 5-,36+,37-/m0/s1; WWIDEZOUVSJVHS-LWQULZAOSA-N |
CC[C@@H]1[C@]([C@@H]2[C@H](O2)/C=C/C(=O) [C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1 )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C )O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@ H](O4)C)O)OC)OC)O; CC[C@H]1OC(=O)/C=C/[C @H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C @H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C \[C@H]3O[C@@H]3[C@]1(O)CO[C@@H]4O[C@H](C )[C@@H](O)[C@@H](OC)[C@H]4OC; CCC1C(C2C( O2)C=CC(=O)C(CC(C(C(C=CC(=O)O1)C)OC3C(C( CC(O3)C)N(C)C)O)C)C)(COC4C(C(C(C(O4)C)O) OC)OC)O; CC[CH]1OC(=O)C=C[CH](C)[CH](O[C H]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[C H](C)C(=O)C=C[CH]3O[CH]3[C]1(O)CO[CH]4O[ CH](C)[CH](O)[CH](OC)[CH]4OC |
mycinamicin II; (1~{S},2~{S},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-2-oxidanyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione |
| 38864 | QU0 | 4 | C25 H34 N4 O4 S | InChI=1S/C25H34N4O4S/c1-6 -25(2,3)19-12-14-20(15-13 -19)34(31,32)28-21(16-18- 10-8-7-9-11-18)22(30)17-2 3-26-24(27-33-23)29(4)5/h 7-15,21-22,28,30H,6,16-17 H2,1-5H3/t21-,22-/m0/s1; MDDQVOFJDJRHHJ-VXKWHMMOSA-N |
CCC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](Cc2c cccc2)[C@H](Cc3nc(no3)N(C)C)O; CCC(C)(C) c1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)[CH ](O)Cc3onc(n3)N(C)C; CCC(C)(C)c1ccc(cc1) [S](=O)(=O)N[C@@H](Cc2ccccc2)[C@@H](O)Cc 3onc(n3)N(C)C; CCC(C)(C)c1ccc(cc1)S(=O)( =O)NC(Cc2ccccc2)C(Cc3nc(no3)N(C)C)O; CN( C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc( cc2)C(C)(C)CC)on1 |
N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide |
| 38865 | QU2 | 0 | C37 H61 N O12 | InChI=1S/C37H61NO12/c1-11 -27-24(18-45-37-35(44-10) 34(43-9)30(41)23(6)47-37) 33-28(49-33)14-13-26(39)2 0(3)16-21(4)32(19(2)12-15 -29(40)48-27)50-36-31(42) 25(38(7)8)17-22(5)46-36/h 12-15,19-25,27-28,30-37,4 1-42H,11,16-18H2,1-10H3/b 14-13+,15-12+/t19-,20+,21 -,22+,23+,24+,25-,27+,28+ ,30+,31+,32+,33+,34+,35+, 36-,37+/m0/s1; QABCJBNUVVMWAL-QBPANRIESA-N |
CCC1C(C2C(O2)C=CC(=O)C(CC(C(C(C=CC(=O)O1 )C)OC3C(C(CC(O3)C)N(C)C)O)C)C)COC4C(C(C( C(O4)C)O)OC)OC; CC[C@@H]1[C@H]([C@@H]2[C @H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([ C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H]( C[C@H](O3)C)N(C)C)O)C)C)CO[C@H]4[C@@H]([ C@@H]([C@@H]([C@H](O4)C)O)OC)OC; CC[C@H] 1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H ](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@ H](C)C(=O)\C=C\[C@H]3O[C@@H]3[C@@H]1CO[C @@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4O C; CC[CH]1OC(=O)C=C[CH](C)[CH](O[CH]2O[C H](C)C[CH]([CH]2O)N(C)C)[CH](C)C[CH](C)C (=O)C=C[CH]3O[CH]3[CH]1CO[CH]4O[CH](C)[C H](O)[CH](OC)[CH]4OC |
mycinamicin I; (1~{R},2~{R},3~{R},6~{E},8~{S},9~{S},10~{S},12~{R},14~{E},16~{R})-2-[[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-9-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione |
| 38866 | QU3 | 1 | C13 H15 N5 O4 S | InChI=1S/C13H15N5O4S/c1-1 5-23(20,21)11-4-8(7-22-11 )12(19)18-3-2-10-9(6-18)5 -16-13(14)17-10/h4-5,7,15 H,2-3,6H2,1H3,(H2,14,16,1 7); IPBSEFPXJIGJOL-UHFFFAOYSA-N |
CNS(=O)(=O)c1cc(co1)C(=O)N2CCc3c(cnc(n3) N)C2; CN[S](=O)(=O)c1occ(c1)C(=O)N2CCc3n c(N)ncc3C2; O=C(c1coc(c1)S(=O)(=O)NC)N1C c2cnc(N)nc2CC1 |
4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide |
| 38867 | QU4 CHEMBL275938 ZINC000003833863 |
1 | C22 H14 O9 | InChI=1S/C22H14O9/c23-16- 4-1-10(7-13(16)20(26)27)1 9(11-2-5-17(24)14(8-11)21 (28)29)12-3-6-18(25)15(9- 12)22(30)31/h1-9,23-24H,( H,26,27)(H,28,29)(H,30,31 ); GIXWDMTZECRIJT-UHFFFAOYSA-N |
OC(=O)c1cc(ccc1O)C(c2ccc(O)c(c2)C(O)=O)= C3C=CC(=O)C(=C3)C(O)=O; OC(=O)c1cc(ccc1O )C(\c2ccc(O)c(c2)C(O)=O)=C3/C=CC(=O)C(=C 3)C(O)=O; c1cc(c(cc1C(=C2C=CC(=O)C(=C2)C (=O)O)c3ccc(c(c3)C(=O)O)O)C(=O)O)O; c1c( O)c(cc(c1)/C(c2ccc(c(c2)C(O)=O)O)=C3/C=C C(C(=C3)C(O)=O)=O)C(O)=O |
3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid); Aurintricarboxylic acid |
| 38868 | QU5 | 2 | C7 H10 O S | InChI=1S/C7H10OS/c1-8-6-2 -4-7(9)5-3-6/h2-7,9H,1H3/ t6-,7+; ODGVEVKXIQCVID-KNVOCYPGSA-N |
COC1C=CC(C=C1)S; CO[C@H]1C=C[C@@H](S)C=C 1; CO[CH]1C=C[CH](S)C=C1 |
4-methoxycyclohexa-2,5-diene-1-thione |
| 38869 | QU6 | 1 | C26 H23 N7 O2 | InChI=1S/C26H23N7O2/c1-16 -9-10-17(26(34)29-19-7-4- 8-20(13-19)35-3)12-22(16) 30-24-21-15-28-33(2)25(21 )32-23(31-24)18-6-5-11-27 -14-18/h4-15H,1-3H3,(H,29 ,34)(H,30,31,32); AWTFDMFFAXABDI-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C( =O)Nc5cccc(c5)OC; COc1cccc(NC(=O)c2ccc(C )c(Nc3nc(nc4n(C)ncc34)c5cccnc5)c2)c1 |
~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
| 38870 | QU7 CHEMBL5271417 |
1 | C28 H34 O | InChI=1S/C28H34O/c1-3-4-5 -8-17-24-20-25-26(29)18-1 9-28(25,21(2)22-13-9-6-10 -14-22)27(24)23-15-11-7-1 2-16-23/h6-7,9-16,25-26,2 9H,2-5,8,17-20H2,1H3/t25- ,26+,28-/m1/s1; ZFXMYHPLTQTTFW-FULLSBAXSA-N |
CCCCCCC1=C(c2ccccc2)[C@]3(CC[C@H](O)[C@H ]3C1)C(=C)c4ccccc4; CCCCCCC1=C([C@]2(CC[ C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4; CCCCCCC1=C(c2ccccc2)[C]3(CC[CH](O)[CH]3 C1)C(=C)c4ccccc4; C21CC(=C(C1(CCC2O)/C(c 3ccccc3)=C)c4ccccc4)CCCCCC; CCCCCCC1=C(C 2(CCC(C2C1)O)C(=C)c3ccccc3)c4ccccc4 |
(1S,3aS,6aS)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol; SS-RJW100 |
| 38871 | QU8 CHEMBL3252138 ZINC000005916765 |
0 | C8 H9 N O2 | InChI=1S/C8H9NO2/c1-11-8- 4-2-7(3-5-8)9-6-10/h2-6H, 1H3,(H,9,10); SXEVZVMJNXOXIJ-UHFFFAOYSA-N |
COc1ccc(cc1)NC=O; COc1ccc(NC=O)cc1 | ~{N}-(4-methoxyphenyl)methanamide |
| 38872 | QU9 | 1 | C29 H28 Cl N5 O3 | InChI=1S/C29H28ClN5O3/c30 -21-7-8-26-24(14-21)29(9- 13-38-26,28(37)33-25-17-3 2-16-20-4-1-2-6-23(20)25) 15-27(36)35-11-3-5-22(35) 18-34-12-10-31-19-34/h1-2 ,4,6-8,10,12,14,16-17,19, 22H,3,5,9,11,13,15,18H2,( H,33,37)/t22-,29+/m1/s1; BEMREGHUYXDNTR-MNNSJKJDSA-N |
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)C l)CC(=O)N5CCCC5Cn6ccnc6; Clc1ccc2OCC[C@@ ](CC(=O)N3CCC[C@@H]3Cn4ccnc4)(C(=O)Nc5cn cc6ccccc56)c2c1; Clc1ccc2OCCC(CC(=O)N3CC CC3Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(c c4)Cl)CC(=O)N5CCC[C@@H]5Cn6ccnc6; Clc1cc c2OCC[C](CC(=O)N3CCC[CH]3Cn4ccnc4)(C(=O) Nc5cncc6ccccc56)c2c1 |
(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38873 | QUA DB02566 ZINC000006929734 |
0 | C12 H13 N O4 | InChI=1S/C12H13NO4/c1-6(1 4)8-5-9(12(16)17)13-11-7( 8)3-2-4-10(11)15/h2-3,5-6 ,10,14-15H,4H2,1H3,(H,16, 17)/t6-,10-/m0/s1; FCGZNXGKWUHBKD-WKEGUHRASA-N |
CC(c1cc(nc2c1C=CCC2O)C(=O)O)O; O=C(O)c1n c2c(c(c1)C(O)C)C=CCC2O; C[CH](O)c1cc(nc2 [CH](O)CC=Cc12)C(O)=O; C[C@H](O)c1cc(nc2 [C@@H](O)CC=Cc12)C(O)=O; C[C@@H](c1cc(nc 2c1C=CC[C@@H]2O)C(=O)O)O |
8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-2-CARBOXYLIC ACID |
| 38874 | QUB ZINC000095920621 |
1 | C13 H12 N2 O | InChI=1S/C13H12N2O/c1-2-9 -16-15-10-11-7-8-14-13-6- 4-3-5-12(11)13/h2-8,10H,1 ,9H2/b15-10+; QNCJWFLSMPZQBD-XNTDXEJSSA-N |
C=CCON=Cc1ccnc2c1cccc2; O(\N=C\c1c2ccccc 2ncc1)C\C=C; C=CCO/N=C/c1ccnc2c1cccc2; C =CCON=Cc1ccnc2ccccc12; C=CCO\N=C\c1ccnc2 ccccc12 |
(E)-N-(prop-2-en-1-yloxy)-1-(quinolin-4-yl)methanimine |
| 38875 | QUC | 1 | C14 H16 Cl N3 O4 S | InChI=1S/C14H16ClN3O4S/c1 -8-10(14(19)20)3-2-4-18(8 )23(21,22)12-7-17-13-11(1 2)5-9(15)6-16-13/h5-8,10H ,2-4H2,1H3,(H,16,17)(H,19 ,20)/t8-,10+/m1/s1; USMKACAPCCXDJA-SCZZXKLOSA-N |
CC1C(CCCN1S(=O)(=O)c2c[nH]c3c2cc(cn3)Cl) C(=O)O; C[CH]1[CH](CCCN1[S](=O)(=O)c2c[n H]c3ncc(Cl)cc23)C(O)=O; O=S(=O)(c1c[NH]c 2ncc(Cl)cc21)N1CCCC(C(=O)O)C1C; C[C@@H]1 [C@H](CCCN1S(=O)(=O)c2c[nH]c3c2cc(cn3)Cl )C(=O)O; C[C@@H]1[C@H](CCCN1[S](=O)(=O)c 2c[nH]c3ncc(Cl)cc23)C(O)=O |
(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid |
| 38876 | QUD ZINC000058632538 |
1 | C29 H37 N4 O2 | InChI=1S/C29H36N4O2/c30-2 9-32-26-17-16-25(35-24-14 -8-3-9-15-24)18-23(26)20- 33(29)27(21-10-4-1-5-11-2 1)19-31-28(34)22-12-6-2-7 -13-22/h3,8-9,14-18,20-22 ,27,30H,1-2,4-7,10-13,19H 2,(H,31,34)/p+1/t27-/m0/s 1; JJSGXQVHJOYNEC-MHZLTWQESA-O |
Nc1nc2ccc(Oc3ccccc3)cc2c[n+]1[CH](CNC(=O )C4CCCCC4)C5CCCCC5; Nc1nc2ccc(Oc3ccccc3) cc2c[n+]1[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5 ; O=C(NCC([n+]2cc3cc(Oc1ccccc1)ccc3nc2N) C4CCCCC4)C5CCCCC5; c1ccc(cc1)Oc2ccc3c(c2 )c[n+](c(n3)N)C(CNC(=O)C4CCCCC4)C5CCCCC5 ; c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@ @H](CNC(=O)C4CCCCC4)C5CCCCC5 |
2-AMINO-3-{(1R)-1-CYCLOHEXYL-2-[(CYCLOHEXYLCARBONYL)AMINO]ETHYL}-6-PHENOXYQUINAZOLIN-3-IUM |
| 38877 | QUE CHEMBL50 DB04216 ZINC000003869685 |
92 | C15 H10 O7 | InChI=1S/C15H10O7/c16-7-4 -10(19)12-11(5-7)22-15(14 (21)13(12)20)6-1-2-8(17)9 (18)3-6/h1-5,16-19,21H; REFJWTPEDVJJIY-UHFFFAOYSA-N |
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3 )O; c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O )O)O)O; O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)c c(O)cc3O |
3,5,7,3',4'-PENTAHYDROXYFLAVONE; QUERCETIN |
| 38878 | QUF | 1 | C27 H19 F6 N7 O | InChI=1S/C27H19F6N7O/c1-1 4-5-6-15(25(41)36-19-10-1 7(26(28,29)30)9-18(11-19) 27(31,32)33)8-21(14)37-23 -20-13-35-40(2)24(20)39-2 2(38-23)16-4-3-7-34-12-16 /h3-13H,1-2H3,(H,36,41)(H ,37,38,39); VIKHFAMUADDHTH-UHFFFAOYSA-N |
Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C( =O)Nc5cc(cc(c5)C(F)(F)F)C(F)(F)F; Cn1ncc 2c(Nc3cc(ccc3C)C(=O)Nc4cc(cc(c4)C(F)(F)F )C(F)(F)F)nc(nc12)c5cccnc5 |
~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide |
| 38879 | QUG | 1 | C12 H15 N5 O3 | InChI=1S/C12H15N5O3/c13-1 2-16-10-8(11(20)17-12)5(4 -15-10)3-14-6-1-2-7(18)9( 6)19/h1-2,4,6-7,9,14,18-1 9H,3H2,(H4,13,15,16,17,20 )/t6-,7-,9-/m0/s1; WYROLENTHWJFLR-ZKWXMUAHSA-N |
c1c(c2c([nH]1)NC(=NC2=O)N)CNC3C=CC(C3O)O ; c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[ C@@H]([C@H]3O)O; N1=C(Nc3c(C1=O)c(CNC2C( O)C(C=C2)O)cn3)N; NC1=NC(=O)c2c(CN[CH]3C =C[CH](O)[CH]3O)c[nH]c2N1; NC1=NC(=O)c2c (CN[C@H]3C=C[C@H](O)[C@H]3O)c[nH]c2N1 |
2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one; Queuine |
| 38880 | QUH ZINC000584905662 |
1 | C20 H33 N3 O16 P2 | InChI=1S/C20H33N3O16P2/c1 -8-6-23(20(30)22-18(8)29) 14-5-11(25)12(37-14)7-35- 40(31,32)39-41(33,34)38-1 9-17(28)15(16(27)10(3)36- 19)21-13(26)4-9(2)24/h6,9 -12,14-17,19,24-25,27-28H ,4-5,7H2,1-3H3,(H,21,26)( H,31,32)(H,33,34)(H,22,29 ,30)/t9-,10-,11+,12-,14-, 15+,16-,17-,19-/m1/s1; SFDGKYQEVYNQBU-VTFQMSFESA-N |
C[C@@H](O)CC(=O)N[C@H]1[C@H](O)[C@@H](C) O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C @H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@@H]1 O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C (CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)CC(C )O)O; C[CH](O)CC(=O)N[CH]1[CH](O)[CH](C) O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH] (C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O; C[C@ @H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O )OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C= C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O |
|
| 38881 | QUI CHEMBL151797 ZINC000000158579 |
2 | C9 H6 N2 O2 | InChI=1S/C9H6N2O2/c12-9(1 3)8-5-10-6-3-1-2-4-7(6)11 -8/h1-5H,(H,12,13); UPUZGXILYFKSGE-UHFFFAOYSA-N |
c1ccc2c(c1)ncc(n2)C(=O)O; OC(=O)c1cnc2cc ccc2n1; O=C(O)c1nc2ccccc2nc1 |
2-CARBOXYQUINOXALINE |
| 38882 | QUJ ZINC000222665511 |
3 | C14 H16 N2 O3 | InChI=1S/C14H16N2O3/c1-8( 2)7-19-12-6-11(14(17)18)1 6-13-9(12)4-3-5-10(13)15/ h3-6,8H,7,15H2,1-2H3,(H,1 7,18); UQMUZAYVJKDBFB-UHFFFAOYSA-N |
CC(C)COc1cc(nc2c1cccc2N)C(=O)O; CC(C)COc 1cc(nc2c(N)cccc12)C(O)=O |
8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
| 38883 | QUK ZINC000584905661 |
8 | C13 H15 N3 O3 | InChI=1S/C13H15N3O3/c14-5 -2-6-19-11-7-10(13(17)18) 16-12-8(11)3-1-4-9(12)15/ h1,3-4,7H,2,5-6,14-15H2,( H,17,18); QGMHWPPZJKLYHR-UHFFFAOYSA-N |
c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN; NCCCOc 1cc(nc2c(N)cccc12)C(O)=O |
8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
| 38884 | QUL CHEMBL222252 ZINC000040584616 |
0 | C21 H24 N4 | InChI=1S/C21H24N4/c1-3-25 (4-2)14-13-22-19-15-9-5-7 -11-17(15)23-20-16-10-6-8 -12-18(16)24-21(19)20/h5- 12,24H,3-4,13-14H2,1-2H3, (H,22,23); BWWJYRDFOAYKCH-UHFFFAOYSA-N |
CCN(CC)CCNc1c2ccccc2nc3c1[nH]c4c3cccc4; n2c1ccccc1c(c4c2c3ccccc3n4)NCCN(CC)CC; C CN(CC)CCNc1c2[nH]c3ccccc3c2nc4ccccc14 |
N,N-diethyl-N'-(10H-indolo[3,2-b]quinolin-11-yl)ethane-1,2-diamine |
| 38885 | QUM ZINC000004404007 |
4 | C23 H28 Cl3 N3 O | InChI=1S/C23H28Cl3N3O/c1- 16(4-3-11-29(12-9-24)13-1 0-25)27-23-19-7-5-17(26)1 4-22(19)28-21-8-6-18(30-2 )15-20(21)23/h5-8,14-16H, 3-4,9-13H2,1-2H3,(H,27,28 )/t16-/m0/s1; UKOBAUFLOGFCMV-INIZCTEOSA-N |
COc1ccc2Nc3cc(Cl)ccc3C(=N[C@@H](C)CCCN(C CCl)CCCl)c2c1; CC(CCCN(CCCl)CCCl)N=C1c2c cc(cc2Nc3c1cc(cc3)OC)Cl; C[C@@H](CCCN(CC Cl)CCCl)/N=C\1/c2ccc(cc2Nc3c1cc(cc3)OC)C l; ClCCN(CCCl)CCCC(/N=C2\c1c(ccc(OC)c1)N c3c2ccc(Cl)c3)C; COc1ccc2Nc3cc(Cl)ccc3C( =N[CH](C)CCCN(CCCl)CCCl)c2c1 |
QUINACRINE MUSTARD; N-{(1S)-4-[BIS(2-CHLOROETHYL)AMINO]-1-METHYLBUTYL}-N-(6-CHLORO-2-METHOXY-9-ACRIDINYL)AMINE |
| 38886 | QUN ZINC000018847040 |
1 | C23 H30 Cl N3 O | InChI=1S/C23H30ClN3O/c1-5 -27(6-2)13-7-8-16(3)25-23 -19-11-9-17(24)14-22(19)2 6-21-12-10-18(28-4)15-20( 21)23/h9-12,14-16H,5-8,13 H2,1-4H3,(H,25,26)/t16-/m 1/s1; GPKJTRJOBQGKQK-MRXNPFEDSA-N |
Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN( CC)CC; CCN(CC)CCCC(C)Nc1c2ccc(cc2nc3c1cc (cc3)OC)Cl; CCN(CC)CCC[CH](C)Nc1c2ccc(Cl )cc2nc3ccc(OC)cc13; CCN(CC)CCC[C@@H](C)N c1c2ccc(Cl)cc2nc3ccc(OC)cc13; CCN(CC)CCC [C@@H](C)Nc1c2ccc(cc2nc3c1cc(cc3)OC)Cl |
QUINACRINE; 6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE |
| 38887 | QUO ZINC000058660644 |
0 | C17 H26 N5 O10 P | InChI=1S/C17H26N5O10P/c18 -17-20-14-10(15(27)21-17) 6(3-19-7-1-2-8(23)11(7)24 )4-22(14)16-13(26)12(25)9 (32-16)5-31-33(28,29)30/h 4,7-9,11-13,16,19,23-26H, 1-3,5H2,(H2,28,29,30)(H3, 18,20,21,27)/t7-,8-,9-,11 +,12-,13-,16-/m1/s1; VYTHZZVQRUCDCO-LXGXKJLISA-N |
NC1=Nc2n(cc(CN[C@@H]3CC[C@@H](O)[C@H]3O) c2C(=O)N1)[C@@H]4O[C@H](CO[P](O)(O)=O)[C @@H](O)[C@H]4O; c1c(c2c(n1C3C(C(C(O3)COP (=O)(O)O)O)O)N=C(NC2=O)N)CNC4CCC(C4O)O; NC1=Nc2n(cc(CN[CH]3CC[CH](O)[CH]3O)c2C(= O)N1)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH ]4O; O=C1c2c(N=C(N)N1)n(cc2CNC3CCC(O)C3O )C4OC(C(O)C4O)COP(=O)(O)O; c1c(c2c(n1[C@ H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O) O)N=C(NC2=O)N)CN[C@@H]4CC[C@H]([C@H]4O)O |
2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-CYCLOPENTYLAMINO)-GUANOSINE-5'-MONOPHOSPHATE |
| 38888 | QUP CHEMBL3403542 ZINC000263620690 |
1 | C18 H14 Cl N5 O | InChI=1S/C18H14ClN5O/c1-1 1-4-5-13(19)8-15(11)23-9- 12(7-16(23)18(20)25)17-14 -3-2-6-24(14)22-10-21-17/ h2-10H,1H3,(H2,20,25); LCPNDRXSKAUPSE-UHFFFAOYSA-N |
Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)C l; Clc1cc(c(cc1)C)n4c(C(=O)N)cc(c2ncnn3c ccc23)c4; Cc1ccc(Cl)cc1n2cc(cc2C(N)=O)c3 ncnn4cccc34 |
1-(5-chloro-2-methylphenyl)-4-(pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1H-pyrrole-2-carboxamide |
| 38889 | QUQ | 2 | C21 H18 Cl N3 O2 | InChI=1S/C21H18ClN3O2/c1- 13(26)25-11-15-6-7-16(22) 8-18(15)19(12-25)21(27)24 -20-10-23-9-14-4-2-3-5-17 (14)20/h2-10,19H,11-12H2, 1H3,(H,24,27)/t19-/m1/s1; VTQUGRCHBZGAGI-LJQANCHMSA-N |
CC(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2c cccc21; CC(=O)N1C[CH](C(=O)Nc2cncc3ccccc 23)c4cc(Cl)ccc4C1; CC(=O)N1Cc2ccc(cc2C(C 1)C(=O)Nc3cncc4c3cccc4)Cl; CC(=O)N1C[C@@ H](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CC(=O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc 4c3cccc4)Cl |
(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 38890 | QUR | 1 | C14 H14 N2 O5 | InChI=1S/C14H14N2O5/c1-7- 5-16(6-9(7)13(18)19)12(17 )8-3-2-4-10-11(8)21-14(20 )15-10/h2-4,7,9H,5-6H2,1H 3,(H,15,20)(H,18,19)/t7-, 9-/m0/s1; TZMSGRKICMJVLM-CBAPKCEASA-N |
C[CH]1CN(C[CH]1C(O)=O)C(=O)c2cccc3NC(=O) Oc23; CC1CN(CC1C(=O)O)C(=O)c2cccc3c2OC(= O)N3; C[C@H]1CN(C[C@@H]1C(O)=O)C(=O)c2cc cc3NC(=O)Oc23; C[C@H]1CN(C[C@@H]1C(=O)O) C(=O)c2cccc3c2OC(=O)N3; O=C(O)C1CN(CC1C) C(=O)c1cccc2NC(=O)Oc12 |
(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid |
| 38891 | QUS CHEMBL279956 DB02999 ZINC000000897456 |
73 | C5 H7 N3 O5 | InChI=1S/C5H7N3O5/c6-2(3( 9)10)1-8-4(11)7-5(12)13-8 /h2H,1,6H2,(H,9,10)(H,7,1 1,12)/t2-/m0/s1; ASNFTDCKZKHJSW-REOHCLBHSA-N |
N[CH](CN1OC(=O)NC1=O)C(O)=O; C(C(C(=O)O) N)N1C(=O)NC(=O)O1; O=C1NC(=O)ON1CC(N)C(= O)O; C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1; N[C@@H](CN1OC(=O)NC1=O)C(O)=O |
(S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID; QUISQUALATE |
| 38892 | QUU | 1 | C26 H20 F3 N7 O | InChI=1S/C26H20F3N7O/c1-1 5-8-9-19(32-25(37)16-5-3- 7-18(11-16)26(27,28)29)12 -21(15)33-23-20-14-31-36( 2)24(20)35-22(34-23)17-6- 4-10-30-13-17/h3-14H,1-2H 3,(H,32,37)(H,33,34,35); QPABVIZUHZJQCR-UHFFFAOYSA-N |
Cn1ncc2c(Nc3cc(NC(=O)c4cccc(c4)C(F)(F)F) ccc3C)nc(nc12)c5cccnc5; Cc1ccc(cc1Nc2c3c nn(c3nc(n2)c4cccnc4)C)NC(=O)c5cccc(c5)C( F)(F)F |
~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide |
| 38893 | QUV | 2 | C61 H107 N3 O9 | InChI=1S/C61H107N3O9/c1-3 -5-7-9-11-13-15-17-18-19- 20-21-22-23-24-25-26-27-2 9-31-33-35-37-46-55(66)63 -52(56(67)53(65)45-36-34- 32-30-28-16-14-12-10-8-6- 4-2)48-72-60-59(70)58(69) 57(68)54(73-60)47-62-61(7 1)64-51-44-40-42-49-41-38 -39-43-50(49)51/h38-44,52 -54,56-60,65,67-70H,3-37, 45-48H2,1-2H3,(H,63,66)(H 2,62,64,71)/t52-,53+,54+, 56-,57-,58-,59+,60-/m0/s1; LYMLSPSPEXPNPQ-DBQLOCGYSA-N |
O=C(Nc2c1ccccc1ccc2)NCC3OC(OCC(NC(=O)CCC CCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCC CCCCC)C(O)C(O)C3O; CCCCCCCCCCCCCCCCCCCCC CCCCC(=O)NC(COC1C(C(C(C(O1)CNC(=O)Nc2ccc c3c2cccc3)O)O)O)C(C(CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO [C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(= O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CC CCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCCCC CCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc 2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C @H](O)[C@H](O)CCCCCCCCCCCCCC; CCCCCCCCCC CCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](C NC(=O)Nc2cccc3ccccc23)[CH](O)[CH](O)[CH] 1O)[CH](O)[CH](O)CCCCCCCCCCCCCC |
N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide |
| 38894 | QUW CHEMBL4101122 ZINC000263620641 |
2 | C21 H22 F2 N4 O4 | InChI=1S/C21H22F2N4O4/c22 -14-6-5-13(16(23)9-14)11- 26-20(29)17-18(24)15-8-12 (4-2-1-3-7-28)10-25-19(15 )27(31)21(17)30/h5-6,8-10 ,28,31H,1-4,7,11,24H2,(H, 26,29); KDSNFIUIIYYHGI-UHFFFAOYSA-N |
c1cc(c(cc1F)F)CNC(=O)C2=C(c3cc(cnc3N(C2= O)O)CCCCCO)N; NC1=C(C(=O)NCc2ccc(F)cc2F) C(=O)N(O)c3ncc(CCCCCO)cc13 |
4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide |
| 38895 | QUX CHEMBL450129 ZINC000087530705 |
4 | C51 H101 N O8 | InChI=1S/C51H101NO8/c1-3- 5-7-9-11-13-15-17-18-19-2 0-21-22-23-24-25-26-27-29 -31-33-35-37-39-47(55)52- 43(40-41-45-49(57)51(59)5 0(58)46(42-53)60-45)48(56 )44(54)38-36-34-32-30-28- 16-14-12-10-8-6-4-2/h43-4 6,48-51,53-54,56-59H,3-42 H2,1-2H3,(H,52,55)/t43-,4 4+,45+,46+,48-,49-,50-,51 +/m0/s1; BNYLLEHBKIGJHB-XHSUSRKPSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CC[C H]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O) [CH](O)CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCC CCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@ H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H] (CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCC CCCCCCC(=O)N[C@@H](CC[C@H]1O[C@H](CO)[C@ H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCC CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC( =O)NC(CCC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCC CCCCCCCC)O)O |
N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide |
| 38896 | QUY CHEMBL1738881 ZINC000150345270 |
2 | C57 H104 N2 O9 | InChI=1S/C57H104N2O9/c1-3 -5-7-9-11-13-15-17-18-19- 20-21-22-23-24-25-26-27-2 9-31-33-35-40-44-50(61)59 -48(51(62)49(60)43-39-34- 32-30-28-16-14-12-10-8-6- 4-2)46-67-57-54(65)52(63) 53(64)55(68-57)56(66)58-4 5-47-41-37-36-38-42-47/h3 6-38,41-42,48-49,51-55,57 ,60,62-65H,3-35,39-40,43- 46H2,1-2H3,(H,58,66)(H,59 ,61)/t48-,49+,51-,52-,53+ ,54+,55-,57-/m0/s1; VILJJKVIHWALNM-YERUKUFISA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO [C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C( =O)NCc2ccccc2)[C@H](O)[C@H](O)CCCCCCCCCC CCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@ @H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1 )C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCC CCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCCCCC CCC(=O)N[CH](CO[CH]1O[CH]([CH](O)[CH](O) [CH]1O)C(=O)NCc2ccccc2)[CH](O)[CH](O)CCC CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC( =O)NC(COC1C(C(C(C(O1)C(=O)NCc2ccccc2)O)O )O)C(C(CCCCCCCCCCCCCC)O)O |
(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide |
| 38897 | QUZ CHEMBL301359 ZINC000000160344 |
2 | C8 H6 N2 | InChI=1S/C8H6N2/c1-2-4-8- 7(3-1)5-9-6-10-8/h1-6H; JWVCLYRUEFBMGU-UHFFFAOYSA-N |
c1ccc2c(c1)cncn2; n2c1c(cccc1)cnc2; c1cc c2ncncc2c1 |
quinazoline |
| 38898 | QV0 | 2 | C22 H19 Cl N2 O2 | InChI=1S/C22H19ClN2O2/c23 -16-6-7-20-18(12-16)22(9- 11-27-20)8-3-10-25(21(22) 26)19-14-24-13-15-4-1-2-5 -17(15)19/h1-2,4-7,12-14H ,3,8-11H2/t22-/m1/s1; SVWQDFXKODKDNW-JOCHJYFZSA-N |
Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c 2c1; Clc1ccc2OCC[C]3(CCCN(C3=O)c4cncc5cc ccc45)c2c1; c1ccc2c(c1)cncc2N3CCC[C@@]4( C3=O)CCOc5c4cc(cc5)Cl; Clc1ccc2OCC[C@]3( CCCN(C3=O)c4cncc5ccccc45)c2c1; c1ccc2c(c 1)cncc2N3CCCC4(C3=O)CCOc5c4cc(cc5)Cl |
(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one |
| 38899 | QV1 | 1 | C14 H14 N2 O5 | InChI=1S/C14H14N2O5/c1-7- 5-16(6-9(7)13(18)19)12(17 )8-3-2-4-10-11(8)21-14(20 )15-10/h2-4,7,9H,5-6H2,1H 3,(H,15,20)(H,18,19)/t7-, 9-/m1/s1; TZMSGRKICMJVLM-VXNVDRBHSA-N |
C[C@@H]1CN(C[C@H]1C(=O)O)C(=O)c2cccc3c2O C(=O)N3; C[CH]1CN(C[CH]1C(O)=O)C(=O)c2cc cc3NC(=O)Oc23; CC1CN(CC1C(=O)O)C(=O)c2cc cc3c2OC(=O)N3; C[C@@H]1CN(C[C@H]1C(O)=O) C(=O)c2cccc3NC(=O)Oc23; O=C(O)C1CN(CC1C) C(=O)c1cccc2NC(=O)Oc12 |
(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid |
| 38900 | QV2 CHEMBL1347128 ZINC000006498864 |
7 | C19 H20 N4 O2 | InChI=1S/C19H20N4O2/c24-1 4-8-5-7-13-16(14)19(10-3- 4-11-19)23-17(20-13)22-18 -21-12-6-1-2-9-15(12)25-1 8/h1-2,6,9H,3-5,7-8,10-11 H2,(H2,20,21,22,23); FDNVTCDQGOVLPM-UHFFFAOYSA-N |
O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5 n4; c1ccc2c(c1)nc(o2)NC3=NC4(CCCC4)C5=C( N3)CCCC5=O |
2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one |
| 38901 | QV3 CHEMBL5427131 DB19088 |
1 | C26 H21 Cl F4 N6 O4 | InChI=1S/C26H21ClF4N6O4/c 1-3-19(25(40)33-14-5-6-15 (24(32)39)18(28)9-14)36-1 1-21(41-2)17(10-23(36)38) 16-8-13(27)4-7-20(16)37-1 2-22(34-35-37)26(29,30)31 /h4-12,19H,3H2,1-2H3,(H2, 32,39)(H,33,40)/t19-/m0/s 1; XYWIPYBIIRTJMM-IBGZPJMESA-N |
CCC(C(=O)Nc1ccc(c(c1)F)C(=O)N)N2C=C(C(=C C2=O)c3cc(ccc3n4cc(nn4)C(F)(F)F)Cl)OC; C C[C@@H](C(=O)Nc1ccc(c(c1)F)C(=O)N)N2C=C( C(=CC2=O)c3cc(ccc3n4cc(nn4)C(F)(F)F)Cl)O C; CC[C@H](N1C=C(OC)C(=CC1=O)c2cc(Cl)ccc 2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O)c( F)c4; CC[CH](N1C=C(OC)C(=CC1=O)c2cc(Cl)c cc2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O) c(F)c4 |
4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide; Asundexian |
| 38902 | QV4 ZINC000263621053 |
1 | C31 H53 N O23 | InChI=1S/C31H53NO23/c1-7- 13(16(39)21(44)28(48)49-7 )32-9-2-8(3-33)25(18(41)1 4(9)37)53-30-23(46)19(42) 27(11(5-35)51-30)55-31-24 (47)20(43)26(12(6-36)52-3 1)54-29-22(45)17(40)15(38 )10(4-34)50-29/h2,7,9-48H ,3-6H2,1H3/t7-,9+,10-,11- ,12-,13-,14+,15-,16+,17+, 18-,19-,20-,21-,22-,23-,2 4-,25-,26-,27-,28+,29-,30 -,31-/m1/s1; SPMGVWYYOZMEBD-NPPSNIQKSA-N |
C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1 N[C@H]2C=C(CO)[C@@H](O[C@H]3O[C@H](CO)[C @@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@ H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[ C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O; C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C =C(CO)[CH](O[CH]3O[CH](CO)[CH](O[CH]4O[C H](CO)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O) [CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH]( O)[CH]2O; CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C (C2O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO )OC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)CO; C[C@ @H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[ C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3 [C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4 [C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5 [C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O) O)O)O)CO; O(C3C(OC(OC2C(=CC(NC1C(OC(O)C( O)C1O)C)C(O)C2O)CO)C(O)C3O)CO)C5OC(C(OC4 OC(CO)C(O)C(O)C4O)C(O)C5O)CO |
4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose |
| 38903 | QV5 CHEMBL4762949 |
1 | C22 H24 Cl F N4 O2 | InChI=1S/C22H24ClFN4O2/c1 -12(2)30-19-9-13(28-7-5-2 6-6-8-28)3-4-14(19)20-15- 10-16(23)17(24)11-18(15)2 7-21(20)22(25)29/h3-4,9-1 2,26-27H,5-8H2,1-2H3,(H2, 25,29); MOVJBOWCKBGZHU-UHFFFAOYSA-N |
CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(Cl)cc23) C(N)=O)N4CCNCC4; CC(C)Oc1cc(ccc1c2c3cc(c (cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4 |
5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide |
| 38904 | QV6 ZINC000066166424 |
1 | C31 H28 N2 O8 S2 | InChI=1S/C31H28N2O8S2/c1- 15-12-16(2)25(42(36,37)38 )14-24(15)32-22-10-11-23( 27-26(22)29(34)20-8-6-7-9 -21(20)30(27)35)33-28-17( 3)13-18(4)31(19(28)5)43(3 9,40)41/h6-14,32-33H,1-5H 3,(H,36,37,38)(H,39,40,41 ); WWMZMGAHGSMSEO-UHFFFAOYSA-N |
Cc1cc(C)c(cc1Nc2ccc(Nc3c(C)cc(C)c(c3C)[S ](O)(=O)=O)c4C(=O)c5ccccc5C(=O)c24)[S](O )(=O)=O; Cc1cc(c(cc1Nc2ccc(c3c2C(=O)c4cc ccc4C3=O)Nc5c(cc(c(c5C)S(=O)(=O)O)C)C)S( =O)(=O)O)C; O=S(=O)(O)c1cc(c(cc1C)C)Nc4c 3C(=O)c2ccccc2C(=O)c3c(cc4)Nc5c(cc(c(c5C )S(=O)(=O)O)C)C |
3-({4-[(2,4-dimethyl-5-sulfophenyl)amino]-9,10-dioxo-9,10-dihydroanthracen-1-yl}amino)-2,4,6-trimethylbenzenesulfonic acid |
| 38905 | QV7 ZINC000169289742 |
7 | C22 H16 N4 O13 S4 | InChI=1S/C22H16N4O13S4/c2 7-22-20(43(37,38)39)10-12 -9-16(41(31,32)33)6-7-17( 12)21(22)26-25-18-8-3-14( 11-19(18)42(34,35)36)24-2 3-13-1-4-15(5-2-13)40(28, 29)30/h1-11,27H,(H,28,29, 30)(H,31,32,33)(H,34,35,3 6)(H,37,38,39)/b24-23+,26 -25+; KMNTUASVUKNVJS-QSZPNPOGSA-N |
c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N /c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O )S(=O)(=O)O; c1cc(ccc1N=Nc2ccc(c(c2)S(=O )(=O)O)N=Nc3c4ccc(cc4cc(c3O)S(=O)(=O)O)S (=O)(=O)O)S(=O)(=O)O; O=S(=O)(O)c4ccc(/N =N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc (c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4; Oc1 c(cc2cc(ccc2c1N=Nc3ccc(cc3[S](O)(=O)=O)N =Nc4ccc(cc4)[S](O)(=O)=O)[S](O)(=O)=O)[S ](O)(=O)=O |
3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid; Ponceau S |
| 38906 | QV8 ZINC000066166427 |
1 | C20 H13 N O5 S | InChI=1S/C20H13NO5S/c22-1 9-14-8-4-5-9-15(14)20(23) 18-16(19)10-13(27(24,25)2 6)11-17(18)21-12-6-2-1-3- 7-12/h1-11,21H,(H,24,25,2 6); AAKZMFOUEBXRTE-UHFFFAOYSA-N |
O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4cccc c4C(=O)c3c1; c1ccc(cc1)Nc2cc(cc3c2C(=O)c 4ccccc4C3=O)S(=O)(=O)O; O=S(=O)(O)c3cc2C (=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4 |
9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid; Acid blue 25 |
| 38907 | QV9 | 2 | C19 H15 Cl N2 O | InChI=1S/C19H15ClN2O/c20- 15-6-3-5-13(10-15)17-8-9- 22(19(17)23)18-12-21-11-1 4-4-1-2-7-16(14)18/h1-7,1 0-12,17H,8-9H2/t17-/m1/s1; RNKBROMGPBKNFK-QGZVFWFLSA-N |
c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c 4)Cl; Clc1cccc(c1)[CH]2CCN(C2=O)c3cncc4c cccc34; c1ccc2c(c1)cncc2N3CCC(C3=O)c4ccc c(c4)Cl; Clc1cccc(c1)C1CCN(c2cncc3ccccc2 3)C1=O; Clc1cccc(c1)[C@H]2CCN(C2=O)c3cnc c4ccccc34 |
(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one |
| 38908 | QVA | 0 | C7 H11 N O7 S | InChI=1S/C7H11NO7S/c8-2(5 (10)11)1-16-4(7(14)15)3(9 )6(12)13/h2-4,9H,1,8H2,(H ,10,11)(H,12,13)(H,14,15) /t2-,3-,4-/m0/s1; OTRWRAMGLYHJPZ-HZLVTQRSSA-N |
N[CH](CS[CH]([CH](O)C(O)=O)C(O)=O)C(O)=O ; C(C(C(=O)O)N)SC(C(C(=O)O)O)C(=O)O; C([ C@@H](C(=O)O)N)S[C@@H]([C@@H](C(=O)O)O)C (=O)O; N[C@@H](CS[C@@H]([C@H](O)C(O)=O)C (O)=O)C(O)=O; NC(CSC(C(O)=O)C(O)C(O)=O)C (O)=O |
(2S,3R)-2-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-3-hydroxybutanedioic acid |
| 38909 | QVB CHEMBL4796852 |
1 | C18 H16 Cl F N2 O2 | InChI=1S/C18H16ClFN2O2/c1 -9(2)24-15-6-4-3-5-10(15) 16-11-7-12(19)13(20)8-14( 11)22-17(16)18(21)23/h3-9 ,22H,1-2H3,(H2,21,23); CNUHFUPIGPUPON-UHFFFAOYSA-N |
CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F )Cl; CC(C)Oc1ccccc1c2c([nH]c3cc(F)c(Cl)c c23)C(N)=O |
5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide |
| 38910 | QVC | 1 | C15 H11 N5 O | InChI=1S/C15H11N5O/c1-9-1 9-15(21-20-9)10-2-5-16-13 (8-10)11-3-6-17-14-12(11) 4-7-18-14/h2-8H,1H3,(H,17 ,18); DUKMUYCXRFBQQS-UHFFFAOYSA-N |
Cc1nc(on1)c1cc(ncc1)c1ccnc2[NH]ccc21; Cc 1noc(n1)c2ccnc(c2)c3ccnc4[nH]ccc34; Cc1n c(on1)c2ccnc(c2)c3ccnc4c3cc[nH]4 |
(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine |
| 38911 | QVE ZINC000584905658 |
11 | C12 H10 N2 O5 | InChI=1S/C12H10N2O5/c13-7 -3-1-2-6-9(19-5-10(15)16) 4-8(12(17)18)14-11(6)7/h1 -4H,5,13H2,(H,15,16)(H,17 ,18); ISBWTKCQKHNORE-UHFFFAOYSA-N |
Nc1cccc2c(OCC(O)=O)cc(nc12)C(O)=O; c1cc2 c(cc(nc2c(c1)N)C(=O)O)OCC(=O)O |
8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid |
| 38912 | QVG | 2 | C19 H13 Cl F2 N2 O2 | InChI=1S/C19H13ClF2N2O2/c 20-15-6-14-12(3-4-26-18(1 4)7-16(15)22)19(25)24-17- 9-23-8-10-1-2-11(21)5-13( 10)17/h1-2,5-9,12H,3-4H2, (H,24,25)/t12-/m1/s1; VPVQGEOZXDRIEP-GFCCVEGCSA-N |
Fc1ccc2cncc(NC(=O)[C@@H]3CCOc4cc(F)c(Cl) cc34)c2c1; Fc1ccc2cncc(NC(=O)[CH]3CCOc4c c(F)c(Cl)cc34)c2c1; Fc1cc2c(cc1)cncc2NC( =O)C1CCOc2cc(F)c(Cl)cc21; c1cc2cncc(c2cc 1F)NC(=O)[C@@H]3CCOc4c3cc(c(c4)F)Cl; c1c c2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(c(c4)F)C l |
(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38913 | QVI | 1 | C24 H29 N7 O2 | InChI=1S/C24H29N7O2/c25-1 5-17-6-8-19(9-7-17)23(32) 27-21(14-16-4-2-1-3-5-16) 24(33)26-20-12-10-18(11-1 3-20)22-28-30-31-29-22/h1 -5,10-13,17,19,21H,6-9,14 -15,25H2,(H,26,33)(H,27,3 2)(H,28,29,30,31)/t17-,19 -,21-/m0/s1; WBOJRNOJLPGFJX-CUWPLCDZSA-N |
NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc2ccc cc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4; c1ccc(cc 1)CC(C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)C4 CCC(CC4)CN; c1ccc(cc1)C[C@@H](C(=O)Nc2cc c(cc2)c3[nH]nnn3)NC(=O)C4CCC(CC4)CN; NC[ CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O )Nc3ccc(cc3)c4[nH]nnn4 |
4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide |
| 38914 | QVJ | 2 | C23 H22 Cl N3 O4 | InChI=1S/C23H22ClN3O4/c1- 25-21(28)13-30-14-23(8-9- 31-20-7-6-16(24)10-18(20) 23)22(29)27-19-12-26-11-1 5-4-2-3-5-17(15)19/h2-7,1 0-12H,8-9,13-14H2,1H3,(H, 25,28)(H,27,29)/t23-/m0/s 1; ZVIGUBNCYLIRDY-QHCPKHFHSA-N |
CNC(=O)COC[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3 cncc4ccccc34; CNC(=O)COC[C@]1(CCOc2ccc(C l)cc12)C(=O)Nc3cncc4ccccc34; CNC(=O)COC[ C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3ccc c4; CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)N c1cncc2ccccc21; CNC(=O)COCC1(CCOc2c1cc(c c2)Cl)C(=O)Nc3cncc4c3cccc4 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38915 | QVK CHEMBL4744483 ZINC000002571516 |
1 | C15 H11 Cl N2 O | InChI=1S/C15H11ClN2O/c16- 10-6-7-12-11(8-10)13(14(1 8-12)15(17)19)9-4-2-1-3-5 -9/h1-8,18H,(H2,17,19); ASGAHGHLFFGPBN-UHFFFAOYSA-N |
NC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3; c1cc c(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl |
5-chloranyl-3-phenyl-1~{H}-indole-2-carboxamide |
| 38916 | QVL | 2 | C11 H11 N7 O | InChI=1S/C11H11N7O/c1-6-4 -12-9-8(6)3-7(5-13-9)10(1 9)18(2)11-14-16-17-15-11/ h3-5H,1-2H3,(H,12,13)(H,1 4,15,16,17); CHQWAWHCQBTQEW-UHFFFAOYSA-N |
CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3; Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3; O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1 |
N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide |
| 38917 | QVM ZINC000096014233 |
4 | C22 H30 O2 | InChI=1S/C22H30O2/c1-17(9 -6-7-14-23)10-8-11-18(2)1 2-13-21-19(3)15-20(24)16- 22(21,4)5/h6-14,20,24H,15 -16H2,1-5H3/b7-6+,10-8+,1 3-12+,17-9+,18-11+/t20-/m 1/s1; BCNPTKKIVMTZFO-UWYNECTCSA-N |
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=O)C(C )(C)C[C@H](O)C1; CC1=C(C(C[C@@H](C1)O)(C )C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C; CC1 =C(C=CC(C)=CC=CC(C)=CC=CC=O)C(C)(C)C[CH] (O)C1; C1(C(=C(CC(O)C1)C)\C=C\C(\C)=C\C= C\C(=C\C=C\C=O)C)(C)C; CC1=C(C(CC(C1)O)( C)C)C=CC(=CC=CC(=CC=CC=O)C)C |
(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal |
| 38918 | QVN | 1 | C14 H16 O5 | InChI=1S/C14H16O5/c15-12( 14(18)19)9-11(13(16)17)8- 4-7-10-5-2-1-3-6-10/h1-3, 5-6,11H,4,7-9H2,(H,16,17) (H,18,19)/t11-/m0/s1; JBXWROHAFLSAHP-NSHDSACASA-N |
OC(=O)[C@@H](CCCc1ccccc1)CC(=O)C(O)=O; c 1ccc(cc1)CCC[C@@H](CC(=O)C(=O)O)C(=O)O; c1ccc(cc1)CCCC(CC(=O)C(=O)O)C(=O)O; OC(= O)[CH](CCCc1ccccc1)CC(=O)C(O)=O |
3-(3-phenylpropyl)-2-oxoglutarate; (4~{S})-2-oxidanylidene-4-(3-phenylpropyl)pentanedioic acid |
| 38919 | QVO | 1 | C22 H14 Cl N7 O3 | InChI=1S/C22H14ClN7O3/c23 -14-3-1-2-13(8-14)16-9-19 (32)30(17-10-24-22(33)20( 16)17)11-18(31)25-15-6-4- 12(5-7-15)21-26-28-29-27- 21/h1-10H,11H2,(H,25,31)( H,26,27,28,29); CVJXJRQOGUBNPR-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)C2=CC(=O)N(C3=C2C(=O)N=C3) CC(=O)Nc4ccc(cc4)c5[nH]nnn5; Clc1cccc(c1 )C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4) C5=C2C(=O)N=C5 |
2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide |
| 38920 | QVP | 2 | C19 H17 N O2 S | InChI=1S/C19H17NO2S/c21-1 9(22)18-17(15-11-5-2-6-12 -15)20-16(23-18)13-7-10-1 4-8-3-1-4-9-14/h1-6,8-9,1 1-12H,7,10,13H2,(H,21,22); WWFYLUZIXCVYBZ-UHFFFAOYSA-N |
c3c(c2c(C(O)=O)sc(CCCc1ccccc1)n2)cccc3; c1ccc(cc1)CCCc2nc(c(s2)C(=O)O)c3ccccc3; OC(=O)c1sc(CCCc2ccccc2)nc1c3ccccc3 |
4-phenyl-2-(3-phenylpropyl)-1,3-thiazole-5-carboxylic acid |
| 38921 | QVQ | 1 | C8 H10 O5 | InChI=1S/C8H10O5/c9-6(8(1 2)13)4-1-2-5(3-4)7(10)11/ h4-5H,1-3H2,(H,10,11)(H,1 2,13)/t4-,5+/m0/s1; BFOGQMGXPDGPQE-CRCLSJGQSA-N |
OC(=O)[CH]1CC[CH](C1)C(=O)C(O)=O; C1CC(C C1C(=O)C(=O)O)C(=O)O; C1C[C@H](C[C@H]1C( =O)C(=O)O)C(=O)O; OC(=O)[C@@H]1CC[C@@H]( C1)C(=O)C(O)=O |
3-(carboxycarbonyl)cyclopentane-1-carboxylic acid; (1~{R},3~{S})-3-(carboxycarbonyl)cyclopentane-1-carboxylic acid |
| 38922 | QVR | 24 | C12 H15 N5 O3 | InChI=1S/C12H15N5O3/c1-2- 3-6-8(18)9(19)12(20-6)17- 5-16-7-10(13)14-4-15-11(7 )17/h2-6,8-9,12,18-19H,1H 3,(H2,13,14,15)/b3-2+/t6- ,8-,9-,12-/m1/s1; UYHMWDPUDJRZGB-JVINVVEESA-N |
C/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc 3c2ncnc3N)O)O; CC=CC1C(C(C(O1)n2cnc3c2nc nc3N)O)O; CC=C[CH]1O[CH]([CH](O)[CH]1O)n 2cnc3c(N)ncnc23; C/C=C/[C@H]1O[C@H]([C@H ](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[(~{E})-prop-1-enyl]oxolane-3,4-diol |
| 38923 | QVS | 12 | C10 H8 N2 O3 | InChI=1S/C10H8N2O3/c11-6- 3-1-2-5-8(13)4-7(10(14)15 )12-9(5)6/h1-4H,11H2,(H,1 2,13)(H,14,15); KZBXAHDVCSOKJO-UHFFFAOYSA-N |
Nc1cccc2c(O)cc(nc12)C(O)=O; c1cc2c(cc(nc 2c(c1)N)C(=O)O)O |
8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid |
| 38924 | QVT | 1 | C7 H10 O5 | InChI=1S/C7H10O5/c1-2-4(6 (9)10)3-5(8)7(11)12/h4H,2 -3H2,1H3,(H,9,10)(H,11,12 )/t4-/m0/s1; RLMBQTSJQCNDCM-BYPYZUCNSA-N |
CC[C@@H](CC(=O)C(=O)O)C(=O)O; CC[CH](CC( =O)C(O)=O)C(O)=O; CC[C@@H](CC(=O)C(O)=O) C(O)=O; CCC(CC(=O)C(=O)O)C(=O)O |
4-ethyl-2-oxoglutarate; (2~{S})-2-ethyl-4-oxidanylidene-pentanedioic acid |
| 38925 | QVU | 1 | C18 H14 Cl2 N4 O | InChI=1S/C18H14Cl2N4O/c19 -14-5-13-12(2-4-23-16(13) 6-15(14)20)18(25)24-17-9- 22-8-10-7-21-3-1-11(10)17 /h1,3,5-9,12,23H,2,4H2,(H ,24,25)/t12-/m1/s1; RQFXRLLVVUPDMA-GFCCVEGCSA-N |
Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21 ; c1cncc2c1c(cnc2)NC(=O)[C@@H]3CCNc4c3cc (c(c4)Cl)Cl; Clc1cc2NCC[CH](C(=O)Nc3cncc 4cnccc34)c2cc1Cl; c1cncc2c1c(cnc2)NC(=O) C3CCNc4c3cc(c(c4)Cl)Cl; Clc1cc2NCC[C@@H] (C(=O)Nc3cncc4cnccc34)c2cc1Cl |
(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38926 | QVV CHEMBL5397671 |
2 | C23 H25 N9 O5 | InChI=1S/C23H25N9O5/c1-23 (2,31-22(36)37-10-13-6-4- 3-5-7-13)21-29-14(16(33)2 0(35)30-21)19(34)25-8-9-3 2-12-28-15-17(24)26-11-27 -18(15)32/h3-7,11-12,33H, 8-10H2,1-2H3,(H,25,34)(H, 31,36)(H2,24,26,27)(H,29, 30,35); MEMCKKGWXCKHJK-UHFFFAOYSA-N |
CC(C)(NC(OCc1ccccc1)=O)C2=NC(=C(C(N2)=O) O)C(NCCn4c3ncnc(c3nc4)N)=O; CC(C)(C1=NC( =C(C(=O)N1)O)C(=O)NCCn2cnc3c2ncnc3N)NC(= O)OCc4ccccc4; CC(C)(NC(=O)OCc1ccccc1)C2= NC(=C(O)C(=O)N2)C(=O)NCCn3cnc4c(N)ncnc34 |
benzyl [2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate; SJ000988248 |
| 38927 | QVW | 1 | C8 H12 O5 | InChI=1S/C8H12O5/c1-2-3-5 (4-6(9)10)7(11)8(12)13/h5 H,2-4H2,1H3,(H,9,10)(H,12 ,13)/t5-/m0/s1; RICKOBMVUQRAMO-YFKPBYRVSA-N |
CCC[C@@H](CC(O)=O)C(=O)C(O)=O; CCC[C@@H] (CC(=O)O)C(=O)C(=O)O; CCCC(CC(=O)O)C(=O) C(=O)O; CCC[CH](CC(O)=O)C(=O)C(O)=O |
3-propyl-2-oxoglutarate; (3~{S})-2-oxidanylidene-3-propyl-pentanedioic acid |
| 38928 | QVX | 1 | C22 H19 N3 O4 | InChI=1S/C22H19N3O4/c26-1 9-5-1-4-16-17(19)11-18(22 (28)29)20(16)25-21(27)13- 6-8-14(9-7-13)24-15-3-2-1 0-23-12-15/h1-10,12,18,20 ,24,26H,11H2,(H,25,27)(H, 28,29)/t18-,20+/m0/s1; PYDRNAYFUJBXAX-AZUAARDMSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)Nc4cc cnc4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2[CH] 1NC(=O)c3ccc(Nc4cccnc4)cc3; c1cc2c(c(c1) O)C[C@@H]([C@@H]2NC(=O)c3ccc(cc3)Nc4cccn c4)C(=O)O; O=C(O)C1Cc2c(cccc2O)C1NC(=O)c 1ccc(cc1)Nc1cccnc1; OC(=O)[C@H]1Cc2c(O)c ccc2[C@H]1NC(=O)c3ccc(Nc4cccnc4)cc3 |
(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38929 | QVY CHEMBL4548068 |
8 | C15 H16 N2 O2 | InChI=1S/C15H16N2O2/c18-1 4-8-19-6-5-12(14)15-11-4- 2-1-3-10(11)13-7-16-9-17( 13)15/h1-4,7,9,12,14-15,1 8H,5-6,8H2/t12-,14-,15-/m 1/s1; WENBZVXOQQBSHR-BPLDGKMQSA-N |
c1ccc2c(c1)-c3cncn3C2C4CCOCC4O; O[CH]1CO CC[CH]1[CH]2n3cncc3c4ccccc24; c1ccc2c(c1 )-c3cncn3[C@H]2[C@@H]4CCOC[C@H]4O; c23C( C1C(COCC1)O)n4c(c2cccc3)cnc4; O[C@@H]1CO CC[C@H]1[C@@H]2n3cncc3c4ccccc24 |
1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol |
| 38930 | QVZ | 1 | C21 H20 O5 | InChI=1S/C21H20O5/c1-21(2 )16-6-4-3-5-14(16)15-8-7- 12(10-17(15)21)9-13(11-18 (22)23)19(24)20(25)26/h3- 8,10,13H,9,11H2,1-2H3,(H, 22,23)(H,25,26)/t13-/m0/s 1; VBQHCGIHMLAMOB-ZDUSSCGKSA-N |
CC1(C)c2ccccc2c3ccc(C[CH](CC(O)=O)C(=O)C (O)=O)cc13; CC1(c2ccccc2-c3c1cc(cc3)CC(C C(=O)O)C(=O)C(=O)O)C; CC1(C)c2ccccc2c3cc c(C[C@@H](CC(O)=O)C(=O)C(O)=O)cc13; CC1( c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O )C(=O)O)C |
3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate; (3~{S})-3-[(9,9-dimethylfluoren-2-yl)methyl]-2-oxidanylidene-pentanedioic acid |
| 38931 | QW0 CHEMBL5407743 |
1 | C21 H16 Cl2 N10 O | InChI=1S/C21H16Cl2N10O/c2 2-13-3-5-16(33-10-26-31-3 2-33)11(7-13)2-6-18(34)25 -9-17-27-19(20(23)28-17)1 2-1-4-14-15(8-12)29-30-21 (14)24/h1-8,10H,9H2,(H,25 ,34)(H,27,28)(H3,24,29,30 )/b6-2+; JWIWXNMAPDVMPI-QHHAFSJGSA-N |
c1cc2c(cc1c3c(nc([nH]3)CNC(=O)C=Cc4cc(cc c4n5cnnn5)Cl)Cl)[nH]nc2N; Nc1n[nH]c2cc(c cc12)c3[nH]c(CNC(=O)/C=C/c4cc(Cl)ccc4n5c nnn5)nc3Cl; Nc1n[nH]c2cc(ccc12)c3[nH]c(C NC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl; c1cc 2c(cc1c3c(nc([nH]3)CNC(=O)/C=C/c4cc(ccc4 n5cnnn5)Cl)Cl)[nH]nc2N |
(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide |
| 38932 | QW1 | 2 | C20 H17 Cl N4 O2 | InChI=1S/C20H17ClN4O2/c21 -14-6-5-13-10-25(20(22)27 )11-17(16(13)7-14)19(26)2 4-18-9-23-8-12-3-1-2-4-15 (12)18/h1-9,17H,10-11H2,( H2,22,27)(H,24,26)/t17-/m 1/s1; PVUJOYSOOMMEIC-QGZVFWFLSA-N |
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc( cc4)Cl)C(=O)N; NC(=O)N1C[CH](C(=O)Nc2cnc c3ccccc23)c4cc(Cl)ccc4C1; NC(=O)N1Cc2ccc (Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; NC(=O) N1C[C@@H](C(=O)Nc2cncc3ccccc23)c4cc(Cl)c cc4C1; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3c c(cc4)Cl)C(=O)N |
(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide |
| 38933 | QW2 ZINC000036448586 |
1 | C8 H12 O5 | InChI=1S/C8H12O5/c1-2-3-5 (7(10)11)4-6(9)8(12)13/h5 H,2-4H2,1H3,(H,10,11)(H,1 2,13)/t5-/m0/s1; UDAAPTAXECGGON-YFKPBYRVSA-N |
CCC[C@@H](CC(=O)C(O)=O)C(O)=O; CCC[CH](C C(=O)C(O)=O)C(O)=O; CCC[C@@H](CC(=O)C(=O )O)C(=O)O; CCCC(CC(=O)C(=O)O)C(=O)O |
(4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid |
| 38934 | QW3 | 1 | C21 H21 N3 O6 | InChI=1S/C21H21N3O6/c25-1 6-3-1-2-12-14(16)9-15(20( 28)29)18(12)24-19(27)13-7 -6-11(8-17(13)26)23-21(30 )22-10-4-5-10/h1-3,6-8,10 ,15,18,25-26H,4-5,9H2,(H, 24,27)(H,28,29)(H2,22,23, 30)/t15-,18+/m1/s1; WXQXNCDNVPQRNY-QAPCUYQASA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3O)NC(= O)NC4CC4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2 [CH]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3O; OC(= O)[C@@H]1Cc2c(O)cccc2[C@@H]1NC(=O)c3ccc( NC(=O)NC4CC4)cc3O; O=C(NC1CC1)Nc1ccc(c(O )c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; c1cc2c (c(c1)O)C[C@H]([C@H]2NC(=O)c3ccc(cc3O)NC (=O)NC4CC4)C(=O)O |
(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38935 | QW4 | 0 | C21 H19 N2 O S | InChI=1S/C21H19N2OS/c1-15 (24)14-23-19-9-5-6-10-20( 19)25-21(23)13-16-11-12-2 2(2)18-8-4-3-7-17(16)18/h 3-13H,14H2,1-2H3/q+1; MNJLWFGXGDINRC-UHFFFAOYSA-N |
CC(=O)C[n+]1c2ccccc2sc1C=C3C=CN(c4c3cccc 4)C; CC(=O)C[n+]1c2ccccc2sc1/C=C/3\C=CN( c4c3cccc4)C; CN1C=CC(=Cc2sc3ccccc3[n+]2C C(C)=O)c4ccccc14; C=3N(C)c4ccccc4\C(=C\c 1[n+](CC(C)=O)c2c(s1)cccc2)C=3; CN1C=C\C (=C/c2sc3ccccc3[n+]2CC(C)=O)c4ccccc14 |
2-[(E)-(1-methylquinolin-4(1H)-ylidene)methyl]-3-(2-oxopropyl)-1,3-benzothiazol-3-ium |
| 38936 | QW5 | 1 | C16 H13 Cl N2 O2 | InChI=1S/C16H13ClN2O2/c1- 21-11-4-2-3-9(7-11)14-12- 8-10(17)5-6-13(12)19-15(1 4)16(18)20/h2-8,19H,1H3,( H2,18,20); INZGVMONFMTZEK-UHFFFAOYSA-N |
COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl; COc1cccc(c1)c2c([nH]c3ccc(Cl)cc23)C(N)=O |
5-chloranyl-3-(3-methoxyphenyl)-1~{H}-indole-2-carboxamide |
| 38937 | QW6 | 1 | C28 H28 Cl N3 O6 | InChI=1S/C28H28ClN3O6/c1- 37-25-16-32(26(33)14-23(2 5)22-12-19(29)8-5-18(22)1 5-30)24(13-21-4-2-3-11-38 -21)27(34)31-20-9-6-17(7- 10-20)28(35)36/h5-10,12,2 1,24H,2-4,11,13-14,16H2,1 H3,(H,31,34)(H,35,36)/t21 -,24-/m0/s1; XPOJHDGTOPIBNZ-URXFXBBRSA-N |
COC1=C(CC(=O)N(C1)[C@@H](C[C@@H]2CCCCO2) C(=O)Nc3ccc(cc3)C(O)=O)c4cc(Cl)ccc4C#N; COC1=C(CC(=O)N(C1)[C@@H](C[C@@H]2CCCCO2) C(=O)Nc3ccc(cc3)C(=O)O)c4cc(ccc4C#N)Cl; COC1=C(CC(=O)N(C1)C(CC2CCCCO2)C(=O)Nc3cc c(cc3)C(=O)O)c4cc(ccc4C#N)Cl; COC1=C(CC( =O)N(C1)[CH](C[CH]2CCCCO2)C(=O)Nc3ccc(cc 3)C(O)=O)c4cc(Cl)ccc4C#N |
4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid |
| 38938 | QW7 CHEMBL5197819 |
1 | C27 H27 Cl2 N3 O | InChI=1S/C27H27Cl2N3O/c1- 17(26-21(28)11-13-25(33-2 )27(26)29)32-16-31-23-12- 10-18(15-24(23)32)19-7-3- 4-8-20(19)22-9-5-6-14-30- 22/h3-4,7-8,10-13,15-17,2 2,30H,5-6,9,14H2,1-2H3/t1 7-,22-/m1/s1; YFCMSHPEVDOMQA-VGOFRKELSA-N |
COc1ccc(Cl)c([CH](C)n2cnc3ccc(cc23)c4ccc cc4[CH]5CCCCN5)c1Cl; C[C@H](c1c(ccc(c1Cl )OC)Cl)n2cnc3c2cc(cc3)c4ccccc4[C@H]5CCCC N5; COc1ccc(Cl)c([C@@H](C)n2cnc3ccc(cc23 )c4ccccc4[C@H]5CCCCN5)c1Cl; CC(c1c(ccc(c 1Cl)OC)Cl)n2cnc3c2cc(cc3)c4ccccc4C5CCCCN 5; CC(c1c(ccc(c1Cl)OC)Cl)n5cnc4ccc(c3c(C 2NCCCC2)cccc3)cc45 |
1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole |
| 38939 | QW8 | 6 | C10 H8 O4 | InChI=1S/C10H8O4/c11-6-1- 5-2-7(12)4-9(14)10(5)8(13 )3-6/h1-4,11-14H; BCMKHWMDTMUUSI-UHFFFAOYSA-N |
c1c2cc(cc(c2c(cc1O)O)O)O; Oc1cc(O)c2c(O) cc(O)cc2c1 |
naphthalene-1,3,6,8-tetrol; 1,3,6,8-tetrahydroxynaphthalene |
| 38940 | QW9 CHEMBL4550982 |
4 | C22 H21 N3 O4 | InChI=1S/C22H21N3O4/c1-12 -6-5-7-15-19(12)14(10-23- 15)22-24-11-16(25-22)20(2 6)13-8-17(27-2)21(29-4)18 (9-13)28-3/h5-11,23H,1-4H 3,(H,24,25); PDOCIQUPMPPJRM-UHFFFAOYSA-N |
COc1cc(cc(OC)c1OC)C(=O)c2[nH]c(nc2)c3c[n H]c4cccc(C)c34; c1(c(c(OC)cc(c1)C(=O)c2c nc(n2)c4c3c(cccc3nc4)C)OC)OC; Cc1cccc2c1 c(c[nH]2)c3[nH]c(cn3)C(=O)c4cc(c(c(c4)OC )OC)OC |
[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone |
| 38941 | QWB CHEMBL116794 ZINC000000293947 |
1 | C12 H11 N3 | InChI=1S/C12H11N3/c1-2-4- 12-11(3-1)10(7-14-12)8-15 -6-5-13-9-15/h1-7,9,14H,8 H2; FRADTKAUXQUOIJ-UHFFFAOYSA-N |
C(n1ccnc1)c2c[nH]c3ccccc23; c1ccc2c(c1)c (c[nH]2)Cn3ccnc3 |
3-(imidazol-1-ylmethyl)-1~{H}-indole; Cpd1 |
| 38942 | QWC | 1 | C21 H21 N3 O6 | InChI=1S/C21H21N3O6/c25-1 6-3-1-2-12-14(16)9-15(20( 28)29)18(12)24-19(27)13-7 -6-11(8-17(13)26)23-21(30 )22-10-4-5-10/h1-3,6-8,10 ,15,18,25-26H,4-5,9H2,(H, 24,27)(H,28,29)(H2,22,23, 30)/t15-,18+/m0/s1; WXQXNCDNVPQRNY-MAUKXSAKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3O)NC(= O)NC4CC4)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([ C@@H]2NC(=O)c3ccc(cc3O)NC(=O)NC4CC4)C(=O )O; OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3 ccc(NC(=O)NC4CC4)cc3O; O=C(NC1CC1)Nc1ccc (c(O)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; OC (=O)[C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc( NC(=O)NC4CC4)cc3O |
(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38943 | QWE | 1 | C29 H40 N7 O4 S2 | InChI=1S/C29H39N7O4S2/c1- 35(2)24-12-5-10-22-21(24) 9-6-13-26(22)42(39,40)34- 23(11-7-16-33-29(30)31)28 (38)36-18-4-3-8-20(36)14- 15-25(37)27-32-17-19-41-2 7/h5-6,9-10,12-13,17,19-2 0,23,34H,3-4,7-8,11,14-16 ,18H2,1-2H3,(H4,30,31,33) /p+1/t20-,23+/m1/s1; KACDHMPRLCAESX-OFNKIYASSA-O |
O=C(c1nccs1)CCC4N(C(=O)C(NS(=O)(=O)c3c2c ccc(N(C)C)c2ccc3)CCCNC(=[NH2+])\N)CCCC4; CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCNC(=[ NH2+])N)C(=O)N3CCCCC3CCC(=O)c4nccs4; CN( C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(= [NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs 4; CN(C)c1cccc2c1cccc2[S](=O)(=O)N[CH](C CCNC(N)=[NH2+])C(=O)N3CCCC[CH]3CCC(=O)c4 sccn4; CN(C)c1cccc2c1cccc2[S](=O)(=O)N[C @@H](CCCNC(N)=[NH2+])C(=O)N3CCCC[C@@H]3C CC(=O)c4sccn4 |
amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip eridin-1-yl}pentyl]amino}methaniminium; RWJ-50215 |
| 38944 | QWF | 2 | C47 H71 N9 O16 | InChI=1S/C47H71N9O16/c57- 38(28-53-19-21-54(29-40(6 0)61)23-25-56(31-42(64)65 )26-24-55(22-20-53)30-41( 62)63)49-27-33-12-14-34(1 5-13-33)43(66)50-35(11-6- 9-32-7-2-1-3-8-32)44(67)4 8-18-5-4-10-36(45(68)69)5 1-47(72)52-37(46(70)71)16 -17-39(58)59/h1-3,6-9,33- 37H,4-5,10-31H2,(H,48,67) (H,49,57)(H,50,66)(H,58,5 9)(H,60,61)(H,62,63)(H,64 ,65)(H,68,69)(H,70,71)(H2 ,51,52,72)/b9-6+/t33-,34- ,35-,36-,37-/m0/s1; PDXVBYVTYTYYEQ-QMBVCIHYSA-N |
OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH]( CC=Cc1ccccc1)NC(=O)[CH]2CC[CH](CC2)CNC(= O)CN3CCN(CCN(CCN(CC3)CC(O)=O)CC(O)=O)CC( O)=O)C(O)=O)C(O)=O; c1ccc(cc1)/C=C/C[C@@ H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H] (CCC(=O)O)C(=O)O)NC(=O)C2CCC(CC2)CNC(=O) CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O)O)CC(=O )O; c1ccc(cc1)C=CCC(C(=O)NCCCCC(C(=O)O)N C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2CCC(CC2) CNC(=O)CN3CCN(CCN(CCN(CC3)CC(=O)O)CC(=O) O)CC(=O)O; OC(=O)CC[C@H](NC(=O)N[C@@H](C CCCNC(=O)[C@H](C\C=C\c1ccccc1)NC(=O)[C@H ]2CC[C@@H](CC2)CNC(=O)CN3CCN(CCN(CCN(CC3 )CC(O)=O)CC(O)=O)CC(O)=O)C(O)=O)C(O)=O |
(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-6-[[(~{E},2~{S})-5-phenyl-2-[[4-[[2-[4,7,10-tris(2-hydroxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]methyl]cyclohexyl]carbonylamino]pent-4-enoyl]amino]hexan-2-yl]carbamoylamino]pentanedioic acid |
| 38945 | QWG | 4 | C22 H37 N3 O14 S2 | InChI=1S/C22H37N3O14S2/c1 -36-20-17(33)14(30)11(27) 8(37-20)3-25-2-7(23-24-25 )5-40-6-10-13(29)16(32)19 (35)22(39-10)41-21-18(34) 15(31)12(28)9(4-26)38-21/ h2,8-22,26-35H,3-6H2,1H3/ t8-,9-,10-,11-,12+,13-,14 +,15+,16+,17-,18-,19-,20+ ,21+,22+/m1/s1; NRANZAMORPDRSV-CBEZMCEXSA-N |
COC1C(C(C(C(O1)Cn2cc(nn2)CSCC3C(C(C(C(O3 )SC4C(C(C(C(O4)CO)O)O)O)O)O)O)O)O)O; CO[ C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc (nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H] (O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C O)O)O)O)O)O)O)O)O)O; CO[CH]1O[CH](Cn2cc( CSC[CH]3O[CH](S[CH]4O[CH](CO)[CH](O)[CH] (O)[CH]4O)[CH](O)[CH](O)[CH]3O)nn2)[CH]( O)[CH](O)[CH]1O; CO[C@H]1O[C@H](Cn2cc(CS C[C@H]3O[C@@H](S[C@@H]4O[C@H](CO)[C@H](O )[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H] 3O)nn2)[C@@H](O)[C@H](O)[C@H]1O; n1nn(cc 1CSCC2C(C(C(C(O2)SC3C(C(C(C(CO)O3)O)O)O) O)O)O)CC4C(O)C(O)C(C(OC)O4)O |
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name) |
| 38946 | QWH | 1 | C10 H13 Br N2 O | InChI=1S/C10H13BrN2O/c1-4 -9(14)13-8-5-6(2)12-7(3)1 0(8)11/h5H,4H2,1-3H3,(H,1 2,13,14); DVHOKCVJBHJLOQ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(nc(c1Br)C)C; CCC(=O)Nc1cc(C )nc(C)c1Br |
~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide; RA399 |
| 38947 | QWI ZINC000095920828 |
1 | C20 H24 N6 | InChI=1S/C20H24N6/c1-2-4- 15(5-3-1)16-6-9-25-20(12- 16)7-10-26(11-8-20)19-17- 18(22-13-21-17)23-14-24-1 9/h1-5,13-14,16,25H,6-12H 2,(H,21,22,23,24)/t16-/m1 /s1; BBLBYIXSHRFYPM-MRXNPFEDSA-N |
c1ccc(cc1)C2CCNC3(C2)CCN(CC3)c4c5c([nH]c n5)ncn4; n5c1c(ncnc1N4CCC3(NCCC(c2ccccc2 )C3)CC4)nc5; C1C[C@H](CC2(CCN(CC2)c3ncnc 4[nH]cnc34)N1)c5ccccc5; C1C[CH](CC2(CCN( CC2)c3ncnc4[nH]cnc34)N1)c5ccccc5; c1ccc( cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn 5)ncn4 |
6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE |
| 38948 | QWJ | 3 | C15 H24 O9 S2 | InChI=1S/C15H24O9S2/c1-2- 3-25-5-7-9(18)11(20)13(22 )15(24-7)26-14-12(21)10(1 9)8(17)6(4-16)23-14/h1,6- 22H,3-5H2/t6-,7-,8+,9-,10 +,11+,12-,13-,14+,15+/m1/ s1; VMLLJSJIKUKSIE-PHOFNFIUSA-N |
C#CCSCC1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O) O)O)O)O; OC[CH]1O[CH](S[CH]2O[CH](CSCC#C )[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH] 1O; C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@ H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2 )CO)O)O)O)O)O)O; C1(C(O)C(C(OC1CO)SC2C(C (C(C(CSCC#C)O2)O)O)O)O)O; OC[C@H]1O[C@@H ](S[C@@H]2O[C@H](CSCC#C)[C@@H](O)[C@H](O )[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |
6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside |
| 38949 | QWK | 2 | C17 H20 N4 O | InChI=1S/C17H20N4O/c1-2-1 6(22)20-17-18-10-14-12-21 (9-8-15(14)19-17)11-13-6- 4-3-5-7-13/h3-7,10H,2,8-9 ,11-12H2,1H3,(H,18,19,20, 22); RKYHRKJGSWFJHW-UHFFFAOYSA-N |
CCC(=O)Nc1ncc2CN(CCc2n1)Cc3ccccc3; CCC(= O)Nc1ncc2c(n1)CCN(C2)Cc3ccccc3 |
~{N}-[6-(phenylmethyl)-7,8-dihydro-5~{H}-pyrido[4,3-d]pyrimidin-2-yl]propanamide; RA303 |
| 38950 | QWL | 1 | C19 H14 Cl2 F N3 O | InChI=1S/C19H14Cl2FN3O/c2 0-15-6-14-12(3-4-24-17(14 )7-16(15)21)19(26)25-18-9 -23-8-10-1-2-11(22)5-13(1 0)18/h1-2,5-9,12,24H,3-4H 2,(H,25,26)/t12-/m1/s1; NUXDKRDLDDGPBW-GFCCVEGCSA-N |
c1cc2cncc(c2cc1F)NC(=O)C3CCNc4c3cc(c(c4) Cl)Cl; c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCN c4c3cc(c(c4)Cl)Cl; Fc1ccc2cncc(NC(=O)[C@ @H]3CCNc4cc(Cl)c(Cl)cc34)c2c1; Fc1cc2c(c c1)cncc2NC(=O)C1CCNc2cc(Cl)c(Cl)cc21; Fc 1ccc2cncc(NC(=O)[CH]3CCNc4cc(Cl)c(Cl)cc3 4)c2c1 |
(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38951 | QWM CHEMBL4278828 |
3 | C19 H23 F3 N6 | InChI=1S/C19H23F3N6/c1-10 (12-6-7-12)23-17-26-16(14 -4-3-5-15(25-14)19(20,21) 22)27-18(28-17)24-11(2)13 -8-9-13/h3-5,10-13H,6-9H2 ,1-2H3,(H2,23,24,26,27,28 )/t10-,11-/m1/s1; KRSKURCJOGAEOS-GHMZBOCLSA-N |
CC(C1CC1)Nc2nc(nc(n2)NC(C)C3CC3)c4cccc(n 4)C(F)(F)F; C[CH](Nc1nc(N[CH](C)C2CC2)nc (n1)c3cccc(n3)C(F)(F)F)C4CC4; c4(c2nc(NC (C)C1CC1)nc(n2)NC(C3CC3)C)nc(C(F)(F)F)cc c4; C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)c 3cccc(n3)C(F)(F)F)C4CC4; C[C@H](C1CC1)Nc 2nc(nc(n2)N[C@H](C)C3CC3)c4cccc(n4)C(F)( F)F |
N~2~,N~4~-bis[(1R)-1-cyclopropylethyl]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazine-2,4-diamine |
| 38952 | QWN | 3 | C5 H2 Br Cl N4 | InChI=1S/C5H2BrClN4/c6-2- 1-3-5(8-4(2)7)10-11-9-3/h 1H,(H,8,9,10,11); SYWLFYJANXIUDW-UHFFFAOYSA-N |
c1c2c(nc(c1Br)Cl)nn[nH]2; Clc1nc2nn[nH]c 2cc1Br |
6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
| 38953 | QWO | 1 | C22 H20 N4 O5 S | InChI=1S/C22H20N4O5S/c27- 16-3-1-2-11-13(16)8-14(21 (29)30)17(11)26-20(28)12- 6-7-15(18-19(12)32-9-23-1 8)25-22(31)24-10-4-5-10/h 1-3,6-7,9-10,14,17,27H,4- 5,8H2,(H,26,28)(H,29,30)( H2,24,25,31)/t14-,17+/m0/ s1; HUIMCJCWKPGPKG-WMLDXEAASA-N |
c1cc2c(c(c1)O)C[C@@H]([C@@H]2NC(=O)c3ccc (c4c3scn4)NC(=O)NC5CC5)C(=O)O; OC(=O)[C@ H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc(NC(=O)N C4CC4)c5ncsc35; c1cc2c(c(c1)O)CC(C2NC(=O )c3ccc(c4c3scn4)NC(=O)NC5CC5)C(=O)O; OC( =O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(NC( =O)NC4CC4)c5ncsc35; O=C(O)C1Cc2c(cccc2O) C1NC(=O)c1ccc(NC(=O)NC2CC2)c2ncsc12 |
(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38954 | QWP CHEMBL257619 DB06810 |
0 | C52 H76 O24 | InChI=1S/C52H76O24/c1-18- 29(72-34-14-30(43(58)21(4 )68-34)73-33-13-28(54)42( 57)20(3)67-33)12-26-10-25 -11-27(49(66-9)48(63)41(5 6)19(2)53)50(47(62)39(25) 46(61)38(26)40(18)55)76-3 6-16-31(44(59)23(6)70-36) 74-35-15-32(45(60)22(5)69 -35)75-37-17-52(8,65)51(6 4)24(7)71-37/h10,12,19-24 ,27-28,30-37,41-45,49-51, 53-61,64-65H,11,13-17H2,1 -9H3/t19-,20-,21-,22-,23- ,24-,27+,28-,30-,31-,32-, 33+,34+,35+,36+,37+,41+,4 2-,43-,44-,45+,49+,50+,51 -,52+/m1/s1; CFCUWKMKBJTWLW-BKHRDMLASA-N |
C1C(C)(O)C(O)C(C)OC1OC2CC(OC(C2O)C)OC3CC (OC(C3O)C)OC4C(Cc5c(C4=O)c(O)c6c(c5)cc(c (c6O)C)OC7CC(C(C(O7)C)O)OC8OC(C)C(O)C(C8 )O)C(C(=O)C(C(C)O)O)OC; CO[C@@H]([C@@H]1 Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O )[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4 )c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]6C[C@@ H](O[C@H]7C[C@@H](O[C@H]8C[C@](C)(O)[C@H ](O)[C@@H](C)O8)[C@@H](O)[C@@H](C)O7)[C@ H](O)[C@@H](C)O6)C(=O)[C@@H](O)[C@@H](C) O; CO[CH]([CH]1Cc2cc3cc(O[CH]4C[CH](O[CH ]5C[CH](O)[CH](O)[CH](C)O5)[CH](O)[CH](C )O4)c(C)c(O)c3c(O)c2C(=O)[CH]1O[CH]6C[CH ](O[CH]7C[CH](O[CH]8C[C](C)(O)[CH](O)[CH ](C)O8)[CH](O)[CH](C)O7)[CH](O)[CH](C)O6 )C(=O)[CH](O)[CH](C)O; Cc1c(cc2cc3c(c(c2 c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[ C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H ]([C@H](O4)C)O)O[C@H]5C[C@H]([C@H]([C@H] (O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O )(C)O)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O) O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O; Cc1 c(cc2cc3c(c(c2c1O)O)C(=O)C(C(C3)C(C(=O)C (C(C)O)O)OC)OC4CC(C(C(O4)C)O)OC5CC(C(C(O 5)C)O)OC6CC(C(C(O6)C)O)(C)O)OC7CC(C(C(O7 )C)O)OC8CC(C(C(O8)C)O)O |
mithramycin; (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1-> 3)-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1-> 3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose |
| 38955 | QWQ | 2 | C26 H30 N2 O3 | InChI=1S/C26H30N2O3/c1-18 -22(20-9-7-19(8-10-20)17- 28-11-5-6-12-28)15-27-16- 23(18)21-13-24(29-2)26(31 -4)25(14-21)30-3/h7-10,13 -16H,5-6,11-12,17H2,1-4H3; LRZCFVDFECJERV-UHFFFAOYSA-N |
Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3 )CN4CCCC4; COc1cc(cc(OC)c1OC)c2cncc(c2C) c3ccc(CN4CCCC4)cc3 |
4-methyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
| 38956 | QWR CHEMBL5402970 |
1 | C25 H27 Br N8 | InChI=1S/C25H27BrN8/c1-25 (2)5-7-32(8-6-25)12-17-3- 4-24-28-19(14-33(24)13-17 )15-34-16-23(30-31-34)20- 9-18(26)10-22-21(20)11-27 -29-22/h3-4,9-11,13-14,16 H,5-8,12,15H2,1-2H3,(H,27 ,29); RXIOMUYKKTZDFQ-UHFFFAOYSA-N |
CC1(C)CCN(CC1)Cc2ccc3nc(Cn4cc(nn4)c5cc(B r)cc6n[nH]cc56)cn3c2; CC1(CCN(CC1)Cc2ccc 3nc(cn3c2)Cn4cc(nn4)c5cc(cc6c5c[nH]n6)Br )C |
2-[[4-(6-bromanyl-2~{H}-indazol-4-yl)-1,2,3-triazol-1-yl]methyl]-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine |
| 38957 | QWS CHEMBL5169921 ZINC000098209340 |
3 | C18 H19 N5 O3 | InChI=1S/C18H19N5O3/c1-10 (2)26-12-7-6-11-4-3-5-15( 13(11)8-12)23-9-14(21-18( 20)25)16(22-23)17(19)24/h 3-10H,1-2H3,(H2,19,24)(H3 ,20,21,25); GYKHVLWAQGEZTM-UHFFFAOYSA-N |
O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC(C)C )cc3; CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C( =O)N)NC(=O)N; CC(C)Oc1ccc2cccc(n3cc(NC(N )=O)c(n3)C(N)=O)c2c1 |
4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide |
| 38958 | QWT CHEMBL2171452 ZINC000095557067 |
6 | C30 H38 N6 O4 | InChI=1S/C30H38N6O4/c1-30 (2)27(33-36(29(30)37)23-1 0-6-4-5-7-11-23)22-14-17- 25(38-3)26(20-22)40-19-9- 8-18-39-24-15-12-21(13-16 -24)28-31-34-35-32-28/h12 -17,20,23H,4-11,18-19H2,1 -3H3,(H,31,32,34,35); JPXAIORZGBCHIB-UHFFFAOYSA-N |
COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4 =NN(C5CCCCCC5)C(=O)C4(C)C; CC1(C(=NN(C1= O)C2CCCCCC2)c3ccc(c(c3)OCCCCOc4ccc(cc4)c 5[nH]nnn5)OC)C |
1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one; 2-cycloheptyl-5-[4-methoxy-3-[4-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy]phenyl]-4,4-dimethyl-pyrazol-3-one |
| 38959 | QWU | 1 | C19 H16 Cl N3 O | InChI=1S/C19H16ClN3O/c1-1 9(11-22-16-7-6-13(20)8-15 (16)19)18(24)23-17-10-21- 9-12-4-2-3-5-14(12)17/h2- 10,22H,11H2,1H3,(H,23,24) /t19-/m1/s1; GTVALCQWCWDFRA-LJQANCHMSA-N |
CC1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 ; C[C@]1(CNc2ccc(Cl)cc12)C(=O)Nc3cncc4cc ccc34; C[C@]1(CNc2c1cc(cc2)Cl)C(=O)Nc3cn cc4c3cccc4; Clc1cc2c(cc1)NCC2(C)C(=O)Nc1 cncc2ccccc21; C[C]1(CNc2ccc(Cl)cc12)C(=O )Nc3cncc4ccccc34 |
(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide |
| 38960 | QWV | 4 | C59 H107 N O9 | InChI=1S/C59H107NO9/c1-3- 5-7-9-11-13-15-17-18-19-2 0-21-22-23-24-25-26-28-30 -32-34-36-41-45-54(62)60- 51(52(61)44-40-35-33-31-2 9-27-16-14-12-10-8-6-4-2) 48-68-59-58(66)57(65)56(6 4)53(69-59)49-67-55(63)47 -46-50-42-38-37-39-43-50/ h37-39,42-43,51-53,56-59, 61,64-66H,3-36,40-41,44-4 9H2,1-2H3,(H,60,62)/t51-, 52+,53+,56-,57-,58+,59-/m 0/s1; ROLREGVMOYCGJS-XRHAFTOMSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[C H]1O[CH](COC(=O)CCc2ccccc2)[CH](O)[CH](O )[CH]1O)[CH](O)CCCCCCCCCCCCCCC; CCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[ C@@H]([C@H]([C@H]([C@H](O1)COC(=O)CCc2cc ccc2)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O; CCC CCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C( C(O1)COC(=O)CCc2ccccc2)O)O)O)C(CCCCCCCCC CCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O) N[C@@H](CO[C@H]1O[C@H](COC(=O)CCc2ccccc2 )[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCC CCCCCCCC; C(OC2C(C(C(O)C(COC(CCc1ccccc1) =O)O2)O)O)C(NC(CCCCCCCCCCCCCCCCCCCCCCCCC )=O)C(CCCCCCCCCCCCCCC)O |
N-[(2S,3R)-3-hydroxy-1-{[6-O-(3-phenylpropanoyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide |
| 38961 | QWW | 3 | C5 H Br3 N4 | InChI=1S/C5HBr3N4/c6-1-2( 7)4(8)9-5-3(1)10-12-11-5/ h(H,9,10,11,12); SIDPOVAKIOFKQR-UHFFFAOYSA-N |
Brc1nc2nn[nH]c2c(Br)c1Br; c12c(c(c(nc1nn [nH]2)Br)Br)Br |
5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
| 38962 | QWX | 1 | C21 H22 N4 O5 | InChI=1S/C21H22N4O5/c22-1 6-8-11(24-21(30)23-10-4-5 -10)6-7-13(16)19(27)25-18 -12-2-1-3-17(26)14(12)9-1 5(18)20(28)29/h1-3,6-8,10 ,15,18,26H,4-5,9,22H2,(H, 25,27)(H,28,29)(H2,23,24, 30)/t15-,18+/m1/s1; CCYMLLLLZCFHPI-QAPCUYQASA-N |
c1cc2c(c(c1)O)C[C@H]([C@H]2NC(=O)c3ccc(c c3N)NC(=O)NC4CC4)C(=O)O; c1cc2c(c(c1)O)C C(C2NC(=O)c3ccc(cc3N)NC(=O)NC4CC4)C(=O)O ; Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[CH]3[CH] (Cc4c(O)cccc34)C(O)=O; O=C(NC1CC1)Nc1ccc (c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; Nc 1cc(NC(=O)NC2CC2)ccc1C(=O)N[C@@H]3[C@@H] (Cc4c(O)cccc34)C(O)=O |
(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38963 | QWY CHEMBL4516506 ZINC000009992869 |
2 | C21 H19 N5 O S2 | InChI=1S/C21H19N5OS2/c22- 16-14-11-13-9-5-2-6-10-15 (13)23-20(14)28-17(16)18( 27)24-21-26-25-19(29-21)1 2-7-3-1-4-8-12/h1,3-4,7-8 ,11H,2,5-6,9-10,22H2,(H,2 4,26,27); FGRXYHXHXBKKAK-UHFFFAOYSA-N |
c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s 3)CCCCC5)N; Nc1c(sc2nc3CCCCCc3cc12)C(=O) Nc4sc(nn4)c5ccccc5; c1ccccc1c2sc(nn2)NC( =O)c5sc3c(cc4c(n3)CCCCC4)c5N |
3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide |
| 38964 | QWZ CHEMBL2171459 ZINC000095557712 |
5 | C28 H36 N2 O4 | InChI=1S/C28H36N2O4/c1-28 (2)26(29-30(27(28)31)22-9 -7-5-6-8-10-22)21-13-16-2 4(33-4)25(19-21)34-18-17- 20-11-14-23(32-3)15-12-20 /h11-16,19,22H,5-10,17-18 H2,1-4H3; RIACCCXIOWXEOM-UHFFFAOYSA-N |
CC1(C(=NN(C1=O)C2CCCCCC2)c3ccc(c(c3)OCCc 4ccc(cc4)OC)OC)C; COc1ccc(CCOc2cc(ccc2OC )C3=NN(C4CCCCCC4)C(=O)C3(C)C)cc1 |
1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one; 2-cycloheptyl-5-[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]-4,4-dimethyl-pyrazol-3-one |
| 38965 | QX CHEMBL151797 |
0 | C9 H6 N2 O2 | InChI=1/C9H6N2O2/c12-9(13 )8-5-10-6-3-1-2-4-7(6)11- 8/h1-5H,(H,12,13)/f/h12H; UPUZGXILYFKSGE-XWKXFZRBCK |
c1ccc2c(c1)ncc(n2)C(=O)O; OC(=O)c1cnc2cc ccc2n1; O=C(O)c1nc2ccccc2nc1 |
QUINOXALINE-2-CARBOXYLIC ACID |
| 38966 | QX0 CHEMBL23101 ZINC000028260086 |
1 | C14 H10 N2 O2 | InChI=1S/C14H10N2O2/c15-9 -10-4-3-5-11(8-10)16-13-7 -2-1-6-12(13)14(17)18/h1- 8,16H,(H,17,18); BWUIKGLLPINDDU-UHFFFAOYSA-N |
OC(=O)c1ccccc1Nc2cccc(c2)C#N; O=C(O)c1cc ccc1Nc1cccc(C#N)c1; c1ccc(c(c1)C(=O)O)Nc 2cccc(c2)C#N |
2-(3-cyanoanilino)benzoic acid |
| 38967 | QX1 CHEMBL4638840 |
1 | C26 H30 N6 O2 | InChI=1S/C26H30N6O2/c1-31 -13-11-19(12-14-31)29-25- 23(17-7-5-4-6-8-17)24(27) 32-26(30-25)20(16-28-32)1 8-9-10-21(33-2)22(15-18)3 4-3/h4-10,15-16,19H,11-14 ,27H2,1-3H3,(H,29,30); ZVVQDNWRXSSQDL-UHFFFAOYSA-N |
COc1ccc(cc1OC)c2cnn3c(N)c(c(NC4CCN(C)CC4 )nc23)c5ccccc5; c24c(c1ccc(c(c1)OC)OC)cn n2c(c(c3ccccc3)c(n4)NC5CCN(C)CC5)N; CN1C CC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC )OC)N)c5ccccc5 |
3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine |
| 38968 | QX2 | 1 | C6 H2 Br3 N3 | InChI=1S/C6H2Br3N3/c7-2-3 (8)5(9)12-6-4(2)10-1-11-6 /h1H,(H,10,11,12); CBZSQDLGIDEXNY-UHFFFAOYSA-N |
c1[nH]c2c(c(c(nc2n1)Br)Br)Br; Brc1nc2nc[ nH]c2c(Br)c1Br |
5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine |
| 38969 | QX3 | 1 | C18 H17 Cl2 N3 O | InChI=1S/C18H17Cl2N3O/c19 -14-7-13-12(4-6-22-16(13) 8-15(14)20)18(24)23-17-9- 21-5-3-11(17)10-1-2-10/h3 ,5,7-10,12,22H,1-2,4,6H2, (H,23,24)/t12-/m1/s1; SAWVWQKOOIRWCC-GFCCVEGCSA-N |
Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cnccc1C1CC1; c1cncc(c1C2CC2)NC(=O)C3CCNc4c3cc(c(c4)C l)Cl; c1cncc(c1C2CC2)NC(=O)[C@@H]3CCNc4c 3cc(c(c4)Cl)Cl; Clc1cc2NCC[CH](C(=O)Nc3c nccc3C4CC4)c2cc1Cl; Clc1cc2NCC[C@@H](C(= O)Nc3cnccc3C4CC4)c2cc1Cl |
(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide |
| 38970 | QX4 CHEMBL1631885 ZINC000095483602 |
3 | C10 H8 O3 | InChI=1S/C10H8O3/c1-6-2-3 -9-7(4-6)8(11)5-10(12)13- 9/h2-5,11H,1H3; WIRGBZBGYNIZIB-UHFFFAOYSA-N |
Cc1ccc2OC(=O)C=C(O)c2c1; Cc1ccc2c(c1)C(= CC(=O)O2)O; C=2C(=O)Oc1ccc(C)cc1C=2O |
4-hydroxy-6-methyl-2H-1-benzopyran-2-one |
| 38971 | QX5 | 1 | C21 H22 N4 O5 | InChI=1S/C21H22N4O5/c22-1 6-8-11(24-21(30)23-10-4-5 -10)6-7-13(16)19(27)25-18 -12-2-1-3-17(26)14(12)9-1 5(18)20(28)29/h1-3,6-8,10 ,15,18,26H,4-5,9,22H2,(H, 25,27)(H,28,29)(H2,23,24, 30)/t15-,18+/m0/s1; CCYMLLLLZCFHPI-MAUKXSAKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3N)NC(= O)NC4CC4)C(=O)O; Nc1cc(NC(=O)NC2CC2)ccc1 C(=O)N[CH]3[CH](Cc4c(O)cccc34)C(O)=O; c1 cc2c(c(c1)O)C[C@@H]([C@@H]2NC(=O)c3ccc(c c3N)NC(=O)NC4CC4)C(=O)O; O=C(NC1CC1)Nc1c cc(c(N)c1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; Nc1cc(NC(=O)NC2CC2)ccc1C(=O)N[C@H]3[C@H] (Cc4c(O)cccc34)C(O)=O |
(1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 38972 | QX7 | 0 | C13 H15 F N2 O6 S | InChI=1S/C13H15FN2O6S/c1- 7-3-4-9(23(14,21)22)5-10( 7)12(18)15-6-11(13(19)20) 16-8(2)17/h3-5,11H,6H2,1- 2H3,(H,15,18)(H,16,17)(H, 19,20)/t11-/m0/s1; IIRSGDNKTQCYKZ-NSHDSACASA-N |
CC(=O)N[C@@H](CNC(=O)c1cc(ccc1C)[S](F)(= O)=O)C(O)=O; Cc1ccc(cc1C(=O)NC[C@@H](C(= O)O)NC(=O)C)S(=O)(=O)F; CC(=O)N[CH](CNC( =O)c1cc(ccc1C)[S](F)(=O)=O)C(O)=O; Cc1cc c(cc1C(=O)NCC(C(=O)O)NC(=O)C)S(=O)(=O)F; c1c(c(ccc1S(=O)(=O)F)C)C(NCC(C(=O)O)NC( =O)C)=O |
N-acetyl-3-{[5-(fluorosulfonyl)-2-methylbenzene-1-carbonyl]amino}-L-alanine |
| 38973 | QX8 | 3 | C21 H24 Br N3 O | InChI=1S/C21H24BrN3O/c22- 19-6-4-17(5-7-19)15-23-10 -12-24(13-11-23)16-18-2-1 -3-20(14-18)25-9-8-21(25) 26/h1-7,14H,8-13,15-16H2; UKZMZNGKMQQUCK-UHFFFAOYSA-N |
c1cc(cc(c1)N2CCC2=O)CN3CCN(CC3)Cc4ccc(cc 4)Br; Brc1ccc(CN2CCN(CC2)Cc3cccc(c3)N4CC C4=O)cc1 |
1-[3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]azetidin-2-one |
| 38974 | QX9 | 1 | C18 H15 Cl N2 O | InChI=1S/C18H15ClN2O/c1-1 2-5-6-14-10-20-11-17(16(1 4)7-12)21-18(22)9-13-3-2- 4-15(19)8-13/h2-8,10-11H, 9H2,1H3,(H,21,22); BSUXNZPXAUGDQM-UHFFFAOYSA-N |
Cc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1; Cc 1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl; Clc1 cccc(c1)CC(=O)Nc1cncc2ccc(C)cc21 |
2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide |
| 38975 | QXB CHEMBL3186899 ZINC000003860777 |
3 | C4 H8 O2 S | InChI=1S/C4H8O2S/c5-7(6)3 -1-2-4-7/h1-4H2; HXJUTPCZVOIRIF-UHFFFAOYSA-N |
O=[S]1(=O)CCCC1; C1CCS(=O)(=O)C1 | sulfolane; thiolane 1,1-dioxide |
| 38976 | QXC | 2 | C12 H11 N5 | InChI=1S/C12H11N5/c1-2-5- 13-9(3-1)7-15-12-10-4-6-1 4-11(10)16-8-17-12/h1-6,8 H,7H2,(H2,14,15,16,17); DZWJUUHHWFVLBE-UHFFFAOYSA-N |
c1ccnc(c1)CNc2c3cc[nH]c3ncn2; C(Nc1ncnc2 [nH]ccc12)c3ccccn3; n1cnc(NCc2ccccn2)c2c c[NH]c12 |
N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 38977 | QXD | 5 | C29 H43 N8 O13 P S2 | InChI=1S/C29H43N8O13PS2/c 1-29(2,13-49-51(44,45)46) 24(42)27(43)32-7-6-20(39) 31-8-9-52-19(16-4-3-5-17( 38)10-16)12-53(47,48)36-1 1-18-22(40)23(41)28(50-18 )37-15-35-21-25(30)33-14- 34-26(21)37/h3-5,10,14-15 ,18-19,22-24,28,36,38,40- 42H,6-9,11-13H2,1-2H3,(H, 31,39)(H,32,43)(H2,30,33, 34)(H2,44,45,46)/t18-,19+ ,22-,23-,24+,28-/m1/s1; ADMPPCCGBBJHMD-XCYBABBZSA-N |
CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(C S(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O )c4cccc(c4)O)O; CC(C)(CO[P](O)(O)=O)[CH] (O)C(=O)NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[ CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 )c4cccc(O)c4; C(C(=O)NCCC(NCCSC(CS(NCC1C (C(C(O1)n2cnc3c(N)ncnc23)O)O)(=O)=O)c4cc cc(c4)O)=O)(C(C)(C)COP(O)(O)=O)O; CC(C)( COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@@H ](CS(=O)(=O)NC[C@@H]1[C@H]([C@H]([C@@H]( O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)O)O; CC( C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N CCS[C@@H](C[S](=O)(=O)NC[C@H]1O[C@H]([C@ H](O)[C@@H]1O)n2cnc3c(N)ncnc23)c4cccc(O) c4 |
5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine |
| 38978 | QXE ZINC000003865985 |
2 | C4 H8 O3 S | InChI=1S/C4H8O3S/c5-4-1-2 -8(6,7)3-4/h4-5H,1-3H2/t4 -/m1/s1; AMXKVIWWXBYXRS-SCSAIBSYSA-N |
C1CS(=O)(=O)C[C@@H]1O; O[CH]1CC[S](=O)(= O)C1; O[C@@H]1CC[S](=O)(=O)C1; C1CS(=O)( =O)CC1O |
3-hydroxythietane-1,1-dioxide; (3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol |
| 38979 | QXF | 1 | C14 H15 Cl N4 O3 S | InChI=1S/C14H15ClN4O3S/c1 -23(21,22)19(13-4-2-3-11( 15)7-13)9-12-6-5-10(8-17- 12)14(20)18-16/h2-8H,9,16 H2,1H3,(H,18,20); SBSZNKFUDSVSJK-UHFFFAOYSA-N |
C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc( Cl)c2; CS(=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2 cccc(c2)Cl |
~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide |
| 38980 | QXG | 3 | C17 H20 N8 O7 S | InChI=1S/C17H20N8O7S/c18- 10-7(2-1-3-8(10)26)16(29) 24-33(30,31)23-4-9-12(27) 13(28)17(32-9)25-6-22-11- 14(19)20-5-21-15(11)25/h1 -3,5-6,9,12-13,17,23,26-2 8H,4,18H2,(H,24,29)(H2,19 ,20,21)/t9-,12-,13-,17-/m 1/s1; CBVBTJCJEIYIFL-DMEFTLKTSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](=O)( =O)NC(=O)c4cccc(O)c4N)[C@@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](=O)(=O) NC(=O)c4cccc(O)c4N)[CH](O)[CH]3O; c1cc(c (c(c1)O)N)C(=O)NS(=O)(=O)NCC2C(C(C(O2)n3 cnc4c3ncnc4N)O)O; n3(C1OC(C(O)C1O)CNS(NC (c2cccc(c2N)O)=O)(=O)=O)cnc4c(N)ncnc34; c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2 [C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O |
5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine |
| 38981 | QXH | 3 | C37 H47 Br2 N5 O2 | InChI=1S/C37H47Br2N5O2/c1 -3-37(4-2,28-45)36(46)40- 35-22-31(26-43-17-13-41(1 4-18-43)24-29-5-9-33(38)1 0-6-29)21-32(23-35)27-44- 19-15-42(16-20-44)25-30-7 -11-34(39)12-8-30/h5-12,2 1-23,28H,3-4,13-20,24-27H 2,1-2H3,(H,40,46); FVBNIXZASNLFMF-UHFFFAOYSA-N |
CCC(CC)(C=O)C(=O)Nc1cc(cc(c1)CN2CCN(CC2) Cc3ccc(cc3)Br)CN4CCN(CC4)Cc5ccc(cc5)Br; CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc (Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1 |
~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide |
| 38982 | QXI | 2 | C27 H25 Cl N6 O3 | InChI=1S/C27H25ClN6O3/c1- 17-25-32-30-16-33(25)9-10 -34(17)24(35)13-27(8-11-3 7-23-7-6-19(28)12-21(23)2 7)26(36)31-22-15-29-14-18 -4-2-3-5-20(18)22/h2-7,12 ,14-17H,8-11,13H2,1H3,(H, 31,36)/t17-,27-/m0/s1; MQGPZHKWCMCBLI-SOKVYYICSA-N |
C[C@H]1c2nncn2CCN1C(=O)C[C@]3(CCOc4c3cc( cc4)Cl)C(=O)Nc5cncc6c5cccc6; C[C@@H]1N(C Cn2cnnc12)C(=O)C[C@]3(CCOc4ccc(Cl)cc34)C (=O)Nc5cncc6ccccc56; CC1c2nncn2CCN1C(=O) CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc2 1; CC1c2nncn2CCN1C(=O)CC3(CCOc4c3cc(cc4) Cl)C(=O)Nc5cncc6c5cccc6; C[CH]1N(CCn2cnn c12)C(=O)C[C]3(CCOc4ccc(Cl)cc34)C(=O)Nc5 cncc6ccccc56 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 38983 | QXK | 3 | C29 H35 N3 O2 | InChI=1S/C29H35N3O2/c1-3- 29(4-2,22-33)28(34)30-26- 13-7-9-23(19-26)20-31-15- 17-32(18-16-31)21-25-12-8 -11-24-10-5-6-14-27(24)25 /h5-14,19,22H,3-4,15-18,2 0-21H2,1-2H3,(H,30,34); AGJXNYANCJMTSI-UHFFFAOYSA-N |
CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3c ccc4ccccc34)c1; CCC(CC)(C=O)C(=O)Nc1cccc (c1)CN2CCN(CC2)Cc3cccc4c3cccc4 |
2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide |
| 38984 | QXL | 3 | C11 H14 N4 O2 S | InChI=1S/C11H14N4O2S/c16- 18(17)5-1-2-8(6-18)15-11- 9-3-4-12-10(9)13-7-14-11/ h3-4,7-8H,1-2,5-6H2,(H2,1 2,13,14,15)/t8-/m1/s1; AZZWDFMEYOBJAU-MRVPVSSYSA-N |
c1c[nH]c2c1c(ncn2)NC3CCCS(=O)(=O)C3; O=S 1(=O)CCCC(Nc2ncnc3[NH]ccc32)C1; O=[S]1(= O)CCC[CH](C1)Nc2ncnc3[nH]ccc23; O=[S]1(= O)CCC[C@H](C1)Nc2ncnc3[nH]ccc23; c1c[nH] c2c1c(ncn2)N[C@@H]3CCCS(=O)(=O)C3 |
(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione |
| 38985 | QXM | 1 | C7 H4 Fe N O5 | InChI=1S/C7H6NO5.Fe/c8-5- 4(6(9)10)2-1-3-7(5,11)13- 12;/h1-3,8,12H,(H,9,10);/ q-1;+4/p-2/b8-5+;/t7-;/m0 ./s1; XQVONSQKQKWLNH-BNPOYOQISA-L |
C1=CC2(C(=N)C(=C1)C(=O)[O-])OO[Fe+2]O2; [O-]C(=O)C1=CC=C[C@]2(OO[Fe++]O2)C1=N; C 12(/C(C(C(=O)[O-])=CC=C1)=N)O[Fe+2]OO2; [H]/N=C/1\C(=CC=C[C@]12OO[Fe+2]O2)C(=O)[ O-]; [O-]C(=O)C1=CC=C[C]2(OO[Fe++]O2)C1= N |
(5R,6Z)-5-(hydroperoxy-kappaO)-5-(hydroxy-kappaO)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron |
| 38986 | QXN | 3 | C19 H29 N3 O2 | InChI=1S/C19H29N3O2/c1-4- 19(5-2,15-23)18(24)20-17- 8-6-7-16(13-17)14-22-11-9 -21(3)10-12-22/h6-8,13,15 H,4-5,9-12,14H2,1-3H3,(H, 20,24); PBQJLTCTNSPMSB-UHFFFAOYSA-N |
CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1 ; CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN2CCN(CC2 )C |
2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide |
| 38987 | QXO ZINC000004973398 |
2 | C10 H8 F N O2 | InChI=1S/C10H8FNO2/c11-8- 2-1-7-3-4-12(6-10(13)14)9 (7)5-8/h1-5H,6H2,(H,13,14 ); UVPVRQIYZWPBEJ-UHFFFAOYSA-N |
c1cc(cc2c1ccn2CC(=O)O)F; OC(=O)Cn1ccc2cc c(F)cc12 |
2-(6-fluoranylindol-1-yl)ethanoic acid; 2-(6-fluoro-1H-indol-1-yl)acetic acid |
| 38988 | QXP | 2 | C17 H20 N8 O6 S | InChI=1S/C17H20N8O6S/c18- 9-4-2-1-3-8(9)16(28)24-32 (29,30)23-5-10-12(26)13(2 7)17(31-10)25-7-22-11-14( 19)20-6-21-15(11)25/h1-4, 6-7,10,12-13,17,23,26-27H ,5,18H2,(H,24,28)(H2,19,2 0,21)/t10-,12-,13-,17-/m1 /s1; VRCFLQCMFIZPPZ-CNEMSGBDSA-N |
c1ccc(c(c1)C(=O)NS(=O)(=O)NCC2C(C(C(O2)n 3cnc4c3ncnc4N)O)O)N; c1ccc(c(c1)C(=O)NS( =O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3 cnc4c3ncnc4N)O)O)N; Nc1ccccc1C(=O)N[S](= O)(=O)NC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c (N)ncnc34; Nc1ccccc1C(=O)N[S](=O)(=O)NC[ C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)n cnc34; C4(C(CNS(NC(c1c(cccc1)N)=O)(=O)=O )OC(n3cnc2c(ncnc23)N)C4O)O |
5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine |
| 38989 | QXQ | 2 | C24 H28 N2 O4 | InChI=1S/C24H28N2O4/c1-3- 24(4-2,15-27)23(28)25-20- 7-5-6-17(10-20)13-26-9-8- 18-11-21-22(30-16-29-21)1 2-19(18)14-26/h5-7,10-12, 15H,3-4,8-9,13-14,16H2,1- 2H3,(H,25,28); DZOGMSIEUICIFK-UHFFFAOYSA-N |
CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4 cc3C2)c1; CCC(CC)(C=O)C(=O)Nc1cccc(c1)CN 2CCc3cc4c(cc3C2)OCO4 |
~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide |
| 38990 | QXR | 2 | C17 H19 Cl N2 O2 | InChI=1S/C17H19ClN2O2/c1- 17(2,3)22-15-7-8-19-11-14 (15)20-16(21)10-12-5-4-6- 13(18)9-12/h4-9,11H,10H2, 1-3H3,(H,20,21); QOGVQOIEARJILE-UHFFFAOYSA-N |
CC(C)(C)Oc1ccncc1NC(=O)Cc2cccc(Cl)c2; CC (C)(C)Oc1ccncc1NC(=O)Cc2cccc(c2)Cl; O=C( Nc1cnccc1OC(C)(C)C)Cc1cccc(Cl)c1 |
N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide |
| 38991 | QXS | 1 | C12 H16 N4 O | InChI=1S/C12H16N4O/c17-10 -4-2-1-3-9(10)16-12-8-5-6 -13-11(8)14-7-15-12/h5-7, 9-10,17H,1-4H2,(H2,13,14, 15,16)/t9-,10+/m1/s1; FIVRTGMLMASIKD-ZJUUUORDSA-N |
O[C@H]1CCCC[C@H]1Nc2ncnc3[nH]ccc23; c1c[ nH]c2c1c(ncn2)NC3CCCCC3O; c1c[nH]c2c1c(n cn2)N[C@@H]3CCCC[C@@H]3O; O[CH]1CCCC[CH] 1Nc2ncnc3[nH]ccc23; OC1CCCCC1Nc1ncnc2[NH ]ccc21 |
(1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
| 38992 | QXT | 2 | C24 H26 N2 O4 | InChI=1S/C24H26N2O4/c1-3- 24(4-2)22(27)26(23(24)28) 19-7-5-6-16(10-19)13-25-9 -8-17-11-20-21(30-15-29-2 0)12-18(17)14-25/h5-7,10- 12H,3-4,8-9,13-15H2,1-2H3; MFVPPSBYBIAVQH-UHFFFAOYSA-N |
CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCO c5cc4C3)c2; CCC1(C(=O)N(C1=O)c2cccc(c2)C N3CCc4cc5c(cc4C3)OCO5)CC |
1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione |
| 38993 | QXU ZINC000039071236 |
1 | C10 H10 O2 | InChI=1S/C10H10O2/c1-7(11 )9-10(12-9)8-5-3-2-4-6-8/ h2-6,9-10H,1H3/t9-,10-/m1 /s1; IGCQIHCZUYCYAA-NXEZZACHSA-N |
CC(=O)C1C(O1)c2ccccc2; CC(=O)[C@H]1O[C@@ H]1c2ccccc2; CC(=O)[C@@H]1[C@H](O1)c2ccc cc2; CC(=O)[CH]1O[CH]1c2ccccc2 |
1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone |
| 38994 | QXV ZINC000004556946 |
0 | C5 H12 N2 O S | InChI=1S/C5H12N2OS/c1-9-3 -2-4(6)5(7)8/h4H,2-3,6H2, 1H3,(H2,7,8)/t4-/m1/s1; GSYTVXOARWSQSV-SCSAIBSYSA-N |
CSCCC(C(=O)N)N; NC(C(N)=O)CCSC; CSCC[C@H ](C(=O)N)N; CSCC[CH](N)C(N)=O; CSCC[C@@H ](N)C(N)=O |
D-methioninamide |
| 38995 | QXW | 3 | C5 H2 Br2 N4 | InChI=1S/C5H2Br2N4/c6-2-1 -3-5(8-4(2)7)10-11-9-3/h1 H,(H,8,9,10,11); WKRYLZOTKJYHJM-UHFFFAOYSA-N |
c1c2c(nc(c1Br)Br)nn[nH]2; Brc1cc2[nH]nnc 2nc1Br |
5,6-dibromo-1H-triazolo[4,5-b]pyridine; 5,6-bis(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
| 38996 | QXX | 1 | C14 H10 Cl F3 N2 O | InChI=1S/C14H10ClF3N2O/c1 5-10-3-1-2-9(6-10)7-13(21 )20-12-8-19-5-4-11(12)14( 16,17)18/h1-6,8H,7H2,(H,2 0,21); LTODPBLUNCYZHX-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cnccc2C(F)(F)F; F C(F)(F)c1ccncc1NC(=O)Cc2cccc(Cl)c2; O=C( Nc1cnccc1C(F)(F)F)Cc1cccc(Cl)c1 |
2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide |
| 38997 | QXY ZINC000061637952 |
2 | C19 H26 N4 O | InChI=1S/C19H26N4O/c1-4-2 1-9-11-22(12-10-21)19(24) 18-7-5-17(6-8-18)14-23-16 (3)13-15(2)20-23/h5-8,13H ,4,9-12,14H2,1-3H3; XFIDMUXINICVOV-UHFFFAOYSA-N |
CCN1CCN(CC1)C(=O)c2ccc(cc2)Cn3c(cc(n3)C) C; C1CN(CCN1C(c2ccc(cc2)Cn3c(cc(n3)C)C)= O)CC; CCN1CCN(CC1)C(=O)c2ccc(Cn3nc(C)cc3 C)cc2 |
{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}(4-ethylpiperazin-1-yl)methanone |
| 38998 | QXZ CHEMBL537757 ZINC000045202854 |
1 | C23 H22 N6 O3 | InChI=1S/C23H22N6O3/c1-13 -18-12-24-23(26-15-10-19( 30-2)21(32-4)20(11-15)31- 3)28-29(18)22(25-13)17-9- 14-7-5-6-8-16(14)27-17/h5 -12,27H,1-4H3,(H,26,28); LXDPQXXUVGVIND-UHFFFAOYSA-N |
Cc1c2cnc(nn2c(n1)c3cc4ccccc4[nH]3)Nc5cc( c(c(c5)OC)OC)OC; COc1cc(Nc2ncc3n(n2)c(nc 3C)c4[nH]c5ccccc5c4)cc(OC)c1OC |
7-(1~{H}-indol-2-yl)-5-methyl-~{N}-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine |
| 38999 | QY0 CHEMBL5441773 |
1 | C12 H16 N4 O | InChI=1S/C12H16N4O/c17-10 -4-2-1-3-9(10)16-12-8-5-6 -13-11(8)14-7-15-12/h5-7, 9-10,17H,1-4H2,(H2,13,14, 15,16)/t9-,10+/m0/s1; FIVRTGMLMASIKD-VHSXEESVSA-N |
O[C@@H]1CCCC[C@@H]1Nc2ncnc3[nH]ccc23; c1 c[nH]c2c1c(ncn2)NC3CCCCC3O; c1c[nH]c2c1c (ncn2)N[C@H]3CCCC[C@H]3O; O[CH]1CCCC[CH] 1Nc2ncnc3[nH]ccc23; OC1CCCCC1Nc1ncnc2[NH ]ccc21 |
(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol |
| 39000 | QY1 CHEMBL88712 DB16346 ZINC000000598193 |
13 | C23 H23 N O3 | InChI=1S/C23H23NO3/c25-23 (26)22(17-6-1-2-7-17)18-1 0-13-20(14-11-18)27-15-19 -12-9-16-5-3-4-8-21(16)24 -19/h3-5,8-14,17,22H,1-2, 6-7,15H2,(H,25,26)/t22-/m 1/s1; ZEYYDOLCHFETHQ-JOCHJYFZSA-N |
c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4C CCC4)C(=O)O; OC(=O)[CH](C1CCCC1)c2ccc(OC c3ccc4ccccc4n3)cc2; OC(=O)[C@H](C1CCCC1) c2ccc(OCc3ccc4ccccc4n3)cc2; c1ccc2c(c1)c cc(n2)COc3ccc(cc3)C(C4CCCC4)C(=O)O; c1cc cc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4 |
(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid |