Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 32001 | LCI | 5 | C18 H26 F N6 | InChI=1S/C18H25FN6/c1-25- 16(8-11-2-3-11)14(9-22-25 )17-15(19)10-21-18(24-17) 23-13-6-4-12(20)5-7-13/h9 -13H,2-8,20H2,1H3,(H,21,2 3,24)/p+1/t12-,13-; YSPIHUWHLMNFOV-JOCQHMNTSA-O |
Cn1ncc(c1CC2CC2)c3nc(N[C@H]4CC[C@H]([NH3 +])CC4)ncc3F; Cn1ncc(c1CC2CC2)c3nc(N[CH] 4CC[CH]([NH3+])CC4)ncc3F; Cn1c(c(cn1)c2c (cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4 |
[4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium |
| 32002 | LCJ CHEMBL3330650 DB11982 ZINC000043206499 |
11 | C16 H14 F I N4 O3 | InChI=1S/C16H14FIN4O3/c17 -13-7-10(18)1-4-14(13)20- 15-12(16(24)21-25-6-5-23) 3-2-11-8-19-9-22(11)15/h1 -4,7-9,20,23H,5-6H2,(H,21 ,24); RFWVETIZUQEJEF-UHFFFAOYSA-N |
c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO ; c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(c c3)I; OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc 3F |
5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide |
| 32003 | LCK ZINC000058639106 |
0 | C10 H18 N2 O4 | InChI=1S/C10H18N2O4/c1-7( 6-9(13)14)12-5-3-2-4-8(11 )10(15)16/h8H,2-6,11H2,1H 3,(H,13,14)(H,15,16)/b12- 7-/t8-/m0/s1; PCARXDDZXPRYII-VQLBTBKJSA-N |
C/C(=N/CCCC[C@@H](C(=O)O)N)/CC(=O)O; CC( CC(O)=O)=NCCCC[C@H](N)C(O)=O; O=C(O)CC(= N/CCCCC(N)C(=O)O)\C; CC(=NCCCCC(C(=O)O)N )CC(=O)O; CC(CC(O)=O)=NCCCC[CH](N)C(O)=O |
(Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine |
| 32004 | LCL CHEMBL1437336 ZINC000000113386 |
3 | C11 H12 Cl2 N2 O5 | InChI=1S/C11H12Cl2N2O5/c1 2-10(13)11(18)14-8(5-16)9 (17)6-1-3-7(4-2-6)15(19)2 0/h1-4,8-10,16-17H,5H2,(H ,14,18)/t8-,9-/m0/s1; WIIZWVCIJKGZOK-IUCAKERBSA-N |
c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O) [O-]; c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(C l)Cl)O)[N+](=O)[O-]; OC[CH](NC(=O)C(Cl)C l)[CH](O)c1ccc(cc1)[N+]([O-])=O; OC[C@H] (NC(=O)C(Cl)Cl)[C@@H](O)c1ccc(cc1)[N+]([ O-])=O; O=[N+]([O-])c1ccc(cc1)C(O)C(NC(= O)C(Cl)Cl)CO |
2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; L-Chloramphenicol |
| 32005 | LCM CHEMBL3409788 ZINC000038543559 |
1 | C18 H20 N2 O6 | InChI=1S/C18H20N2O6/c21-1 3-7-3-5-11(15(13)23)17(25 )19-9-1-2-10-20-18(26)12- 6-4-8-14(22)16(12)24/h3-8 ,21-24H,1-2,9-10H2,(H,19, 25)(H,20,26); FBRVRHJYPWFVCL-UHFFFAOYSA-N |
c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c 2O)O; O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc (O)c2O; Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O )c2O)c1O |
N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide); 4-LICAM |
| 32006 | LCN | 9 | C6 H10 O5 | InChI=1S/C6H10O5/c7-1-4-6 (10)5(9)3(8)2-11-4/h2,4-1 0H,1H2/t4-,5-,6-/m1/s1; CXKKSSKKIOZUNR-HSUXUTPPSA-N |
C1=C(C(C(C(O1)CO)O)O)O; C1=C([C@H]([C@@H ]([C@H](O1)CO)O)O)O; OC[CH]1OC=C(O)[CH]( O)[CH]1O; OC[C@H]1OC=C(O)[C@@H](O)[C@@H] 1O |
1,5-anhydro-D-arabino-hex-1-enitol |
| 32007 | LCO | 2 | Cl O3 | InChI=1S/ClHO3/c2-1(3)4/h (H,2,3,4)/p-1; XTEGARKTQYYJKE-UHFFFAOYSA-M |
[O-][Cl](=O)=O; [O-]Cl(=O)=O | CHLORATE ION |
| 32008 | LCP DB03138 |
0 | Cl O4 | InChI=1S/ClHO4/c2-1(3,4)5 /h(H,2,3,4,5)/p-1; VLTRZXGMWDSKGL-UHFFFAOYSA-M |
[O-]Cl(=O)(=O)=O; [O-][Cl](=O)(=O)=O | PERCHLORATE ION |
| 32009 | LCQ CHEMBL4755796 |
1 | C12 H8 N6 | InChI=1S/C12H8N6/c13-6-9- 10-11(15-7-14-10)18-12(17 -9)16-8-4-2-1-3-5-8/h1-5, 7H,(H2,14,15,16,17,18); CVPBLNRTHSCHMF-UHFFFAOYSA-N |
N#Cc1nc(Nc2ccccc2)nc3[nH]cnc13; c1ccc(cc 1)Nc2nc(c3c(n2)[nH]cn3)C#N |
2-phenylazanyl-9~{H}-purine-6-carbonitrile |
| 32010 | LCR CHEMBL1201191 DB06282 ZINC000019364230 |
1 | C21 H25 Cl N2 O3 | InChI=1S/C21H25ClN2O3/c22 -19-8-6-18(7-9-19)21(17-4 -2-1-3-5-17)24-12-10-23(1 1-13-24)14-15-27-16-20(25 )26/h1-9,21H,10-16H2,(H,2 5,26)/t21-/m1/s1; ZKLPARSLTMPFCP-OAQYLSRUSA-N |
OC(=O)COCCN1CCN(CC1)[CH](c2ccccc2)c3ccc( Cl)cc3; c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(C C3)CCOCC(=O)O; O=C(O)COCCN1CCN(CC1)C(c2c cccc2)c3ccc(Cl)cc3; OC(=O)COCCN1CCN(CC1) [C@H](c2ccccc2)c3ccc(Cl)cc3; c1ccc(cc1)[ C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O |
(2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid; R-levocetirizine |
| 32011 | LCS DB03787 ZINC000103548283 |
10 | C11 H14 N3 O7 P | InChI=1S/C11H14N3O7P/c1-6 -10(15)8(3-13-9-5-20-14-1 1(9)16)7(2-12-6)4-21-22(1 7,18)19/h2,15H,3-5H2,1H3, (H,14,16)(H2,17,18,19)/b1 3-9+; KFCQHWOGBVCKHR-UKTHLTGXSA-N |
O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON 2; Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O )O; Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O) c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CO NC2=O)O |
[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate |
| 32012 | LCT CHEMBL2087004 ZINC000006781009 |
1 | C10 H8 N4 O3 S | InChI=1S/C10H8N4O3S/c1-6( 15)11-10-13-12-9(18-10)7- 2-4-8(5-3-7)14(16)17/h2-5 H,1H3,(H,11,13,15); KTJUGKNFZGGFIC-UHFFFAOYSA-N |
CC(=O)Nc1nnc(s1)c2ccc(cc2)[N+](=O)[O-]; O=C(Nc1nnc(s1)c2ccc([N+]([O-])=O)cc2)C; CC(=O)Nc1sc(nn1)c2ccc(cc2)[N+]([O-])=O |
N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]acetamide |
| 32013 | LCU | 1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-9-2 -3-15-8-13(9)16-14(17)6-1 0-4-11-7-12(11)5-10/h2-3, 8,10-12H,4-7H2,1H3,(H,16, 17)/t10-,11+,12-; WEHZCBNACMTKKE-ZSBIGDGJSA-N |
Cc1ccncc1NC(=O)CC2CC3CC3C2; Cc1ccncc1NC( =O)CC2C[C@@H]3C[C@@H]3C2; Cc1ccncc1NC(=O )CC2C[CH]3C[CH]3C2; Cc1ccncc1NC(=O)CC2C[ C@H]3C[C@H]3C2; O=C(Nc1cnccc1C)CC1CC2CC2 C1 |
2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide |
| 32014 | LCV | 9 | C24 H40 N7 O21 P3 S | InChI=1S/C24H40N7O21P3S/c 1-12(56(44,45)46)23(36)47 -7-6-26-14(32)4-5-27-21(3 5)18(34)24(2,3)9-49-55(42 ,43)52-54(40,41)48-8-13-1 7(51-53(37,38)39)16(33)22 (50-13)31-11-30-15-19(25) 28-10-29-20(15)31/h10-13, 16-18,22,33-34H,4-9H2,1-3 H3,(H,26,32)(H,27,35)(H,4 0,41)(H,42,43)(H2,25,28,2 9)(H2,37,38,39)(H,44,45,4 6)/t12-,13+,16+,17+,18-,2 2+/m0/s1; BEMUOEZGNHFKKE-IBNUZSNCSA-N |
C[CH](C(=O)OCCNC(=O)CCNC(=O)[CH](O)C(C)( C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([C H](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23) [S](O)(=O)=O; c3nc2n(C1OC(COP(OP(OCC(C(C (NCCC(NCCOC(C(S(=O)(=O)O)C)=O)=O)=O)O)(C )C)(O)=O)(=O)O)C(C1O)OP(O)(=O)O)cnc2c(N) n3; C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H] (C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H ]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O )(O)O)O)S(=O)(=O)O; CC(C(=O)OCCNC(=O)CCN C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O )(=O)O; C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n 2cnc3c(N)ncnc23)[S](O)(=O)=O |
(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid |
| 32015 | LCW | 1 | C15 H14 N6 O | InChI=1S/C15H14N6O/c1-2-1 1-13-14(18-8-17-13)21-15( 20-11)19-10-5-3-9(4-6-10) 7-12(16)22/h2-6,8H,1,7H2, (H2,16,22)(H2,17,18,19,20 ,21); LSWHKQJKPIFFMY-UHFFFAOYSA-N |
C=Cc1c2c([nH]cn2)nc(n1)Nc3ccc(cc3)CC(=O) N; NC(=O)Cc1ccc(Nc2nc3[nH]cnc3c(C=C)n2)c c1 |
2-[4-[(6-ethenyl-9~{H}-purin-2-yl)amino]phenyl]ethanamide |
| 32016 | LCX DB02437 |
0 | C7 H16 N2 O3 | InChI=1/C7H16N2O3/c8-6(5- 10)3-1-2-4-9-7(11)12/h6,9 -10H,1-5,8H2,(H,11,12)/t6 -/m0/s1/f/h11H; XHKWPAAHPLALGC-LBISWHJPDC |
C(CCNC(=O)O)C[C@@H](CO)N; N[CH](CO)CCCCN C(O)=O; N[C@H](CO)CCCCNC(O)=O; C(CCNC(=O )O)CC(CO)N; O=C(O)NCCCCC(N)CO |
CARBOXYLATED LYSINE; (5R)-5-AMINO-6-HYDROXYHEXYLCARBAMIC ACID |
| 32017 | LCY CHEMBL317929 ZINC000001712881 |
4 | C5 H7 N O2 | InChI=1S/C5H7NO2/c1-6-4(7 )2-3-5(6)8/h2-3H2,1H3; KYEACNNYFNZCST-UHFFFAOYSA-N |
O=C1N(C(=O)CC1)C; CN1C(=O)CCC1=O | 1-methylpyrrolidine-2,5-dione |
| 32018 | LCZ | 2 | C6 H13 N O | InChI=1S/C6H13NO/c1-5(2)3 -6(7)4-8/h4-6H,3,7H2,1-2H 3/t6-/m0/s1; ZOFRRNUENOHELM-LURJTMIESA-N |
O=CC(N)CC(C)C; CC(C)C[CH](N)C=O; CC(C)C[ C@@H](C=O)N; CC(C)CC(C=O)N; CC(C)C[C@H]( N)C=O |
(2S)-2-amino-4-methylpentanal |
| 32019 | LD0 | 3 | C14 H19 N5 O5 S3 | InChI=1S/C14H19N5O5S3/c1- 24-19-10(8-5-27-14(15)17- 8)11(21)16-7(2-20)12-18-9 (13(22)23)6(3-25)4-26-12/ h2,5-7,9,12,18,25H,3-4H2, 1H3,(H2,15,17)(H,16,21)(H ,22,23)/b19-10-/t6-,7-,9+ ,12-/m1/s1; KKQVBXSQHHBKNE-AZYSTIKISA-N |
CO/N=C(C(=O)N[C@H](C=O)[C@@H]1N[C@@H]([C @H](CS)CS1)C(O)=O)/c2csc(N)n2; CO/N=C(/c 1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H]2NC([C@ @H](CS2)CS)C(=O)O; CON=C(C(=O)N[CH](C=O) [CH]1N[CH]([CH](CS)CS1)C(O)=O)c2csc(N)n2 ; SCC1CSC(NC1C(=O)O)C(C=O)NC(=O)C(=N\OC) /c1csc(N)n1; CON=C(c1csc(n1)N)C(=O)NC(C= O)C2NC(C(CS2)CS)C(=O)O |
(2R,4S,5R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-(sulfanylmethyl)-1,3-thiazinane-4-carboxylic acid |
| 32020 | LD1 ZINC000060292678 |
1 | C18 H13 N5 O2 S | InChI=1S/C18H13N5O2S/c24- 15-9-25-14-7-6-12(8-13(14 )20-15)16-17(11-4-2-1-3-5 -11)26-18-21-19-10-23(18) 22-16/h1-8,10,17H,9H2,(H, 20,24)/t17-/m0/s1; PAZOXNQSXSODTC-KRWDZBQOSA-N |
c1ccc(cc1)C2C(=Nn3cnnc3S2)c4ccc5c(c4)NC( =O)CO5; O=C1COc2ccc(cc2N1)C3=Nn4cnnc4S[C H]3c5ccccc5; O=C1Nc5c(OC1)ccc(C2=Nn4cnnc 4SC2c3ccccc3)c5; c1ccc(cc1)[C@H]2C(=Nn3c nnc3S2)c4ccc5c(c4)NC(=O)CO5; O=C1COc2ccc (cc2N1)C3=Nn4cnnc4S[C@H]3c5ccccc5 |
6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one |
| 32021 | LD2 ZINC000098209104 |
1 | C18 H15 N5 O2 S | InChI=1S/C18H15N5O2S/c24- 17-10-25-16-7-6-13(9-15(1 6)20-17)14(8-12-4-2-1-3-5 -12)22-23-11-19-21-18(23) 26/h1-7,9,11H,8,10H2,(H,2 0,24)(H,21,26)/b22-14+; VWKIYKOULJUXRZ-HYARGMPZSA-N |
Sc1nncn1/N=C(Cc2ccccc2)/c3ccc4OCC(=O)Nc4 c3; Sc1nncn1N=C(Cc2ccccc2)c3ccc4OCC(=O)N c4c3; c1ccc(cc1)C/C(=N\n2cnnc2S)/c3ccc4c (c3)NC(=O)CO4; c1ccc(cc1)CC(=Nn2cnnc2S)c 3ccc4c(c3)NC(=O)CO4; O=C1Nc4c(OC1)ccc(\C (=N\n2cnnc2S)Cc3ccccc3)c4 |
6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one; 6-[(1E)-N-(3-mercapto-4H-1,2,4-triazolo-4-yl)-2-phenylethanimidoyl]-2H-1,4-benzooxazin-3(4H)-one |
| 32022 | LD3 | 1 | C5 H8 B10 N O2 S | InChI=1S/C5H8B10NO2S/c16- 19(17,18)3-1-2-5-6-4-7(5, 6)9(4)10(4)8(4,6)11(5,6)1 3(5)12(5,7,9)15(9,10,13)1 4(8,10,11)13/h1-3H2,(H2,1 6,17,18); GZJGPPMPTGFUSA-UHFFFAOYSA-N |
B1234B567B189B212B33%10B454B656B787C911B 232B715C4%1062CCCS(=O)(=O)N; N[S](=O)(=O )CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8% 13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18 %19[B]%11%13([B]47%12%18)[C]%14%16%17%19 |
meta-carboran-propylsulfonamid |
| 32023 | LD4 CHEMBL1391502 ZINC000000433032 |
1 | C11 H17 N3 | InChI=1S/C11H17N3/c1-2-4- 7-10(6-3-1)14-11-12-8-5-9 -13-11/h5,8-10H,1-4,6-7H2 ,(H,12,13,14); DYFJUGGWBNHTMD-UHFFFAOYSA-N |
n1c(nccc1)NC2CCCCCC2; c1cnc(nc1)NC2CCCCC C2; C1CCCC(CC1)Nc2ncccn2 |
N-cycloheptylpyrimidin-2-amine |
| 32024 | LD5 | 1 | C13 H12 N6 O2 S | InChI=1S/C13H12N6O2S/c1-2 -10-11-12(16-7-15-11)19-1 3(18-10)17-8-3-5-9(6-4-8) 22(14,20)21/h2-7H,1H2,(H2 ,14,20,21)(H2,15,16,17,18 ,19); KGGMBTYAIOMGPI-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(Nc2nc(C=C)c3[nH]cnc3n2 )cc1; C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccc(cc3) S(=O)(=O)N |
4-[(6-ethenyl-7~{H}-purin-2-yl)amino]benzenesulfonamide |
| 32025 | LD6 | 4 | C18 H17 F N4 O4 S | InChI=1S/C18H17FN4O4S/c1- 22(28(26,27)14-8-3-2-4-9- 14)15-16(20)23(18(25)21-1 7(15)24)11-12-6-5-7-13(19 )10-12/h2-10H,11,20H2,1H3 ,(H,21,24,25); UTULDMQEJDMUBS-UHFFFAOYSA-N |
CN(C1=C(N(C(=O)NC1=O)Cc2cccc(c2)F)N)S(=O )(=O)c3ccccc3; CN(C1=C(N)N(Cc2cccc(F)c2) C(=O)NC1=O)[S](=O)(=O)c3ccccc3 |
N-(6-Amino-1-(3-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
| 32026 | LD7 | 1 | C12 H12 F N3 O2 | InChI=1S/C12H12FN3O2/c1-2 -10-15-12(18-16-10)11(17) 14-7-8-3-5-9(13)6-4-8/h3- 6H,2,7H2,1H3,(H,14,17); FNKOMHDIZVWDKR-UHFFFAOYSA-N |
n2oc(C(NCc1ccc(F)cc1)=O)nc2CC; CCc1noc(n 1)C(=O)NCc2ccc(F)cc2; CCc1nc(on1)C(=O)NC c2ccc(cc2)F |
3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| 32027 | LD8 ZINC000000156811 |
1 | C6 H8 N2 O2 | InChI=1S/C6H8N2O2/c1-9-5- 3-4-7-6(8-5)10-2/h3-4H,1- 2H3; KEVRHVMWBKFGLO-UHFFFAOYSA-N |
COc1ccnc(n1)OC; COc1ccnc(OC)n1 | 2,4-dimethoxypyrimidine |
| 32028 | LD9 | 1 | C16 H13 N O3 | InChI=1S/C16H13NO3/c18-16 (19)8-11-10-20-15-9-13(6- 7-14(11)15)17-12-4-2-1-3- 5-12/h1-7,9-10,17H,8H2,(H ,18,19); OMQCVWMJZNPZAM-UHFFFAOYSA-N |
c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O; OC(=O )Cc1coc2cc(Nc3ccccc3)ccc12; C(O)(Cc2coc3 cc(Nc1ccccc1)ccc23)=O |
[6-(phenylamino)-1-benzofuran-3-yl]acetic acid |
| 32029 | LDA CHEMBL1233973 DB04147 ZINC000002039372 |
0 | C14 H31 N O | InChI=1S/C14H31NO/c1-4-5- 6-7-8-9-10-11-12-13-14-15 (2,3)16/h4-14H2,1-3H3; SYELZBGXAIXKHU-UHFFFAOYSA-N |
CCCCCCCCCCCC[N+](C)(C)[O-]; [O-][N+](CCC CCCCCCCCC)(C)C |
LAURYL DIMETHYLAMINE-N-OXIDE |
| 32030 | LDB CHEMBL1650608 ZINC000005117659 |
1 | C4 H4 N2 O S | InChI=1S/C4H4N2OS/c7-4-5- 2-1-3(8)6-4/h1-2H,(H2,5,6 ,7,8); OVONXEQGWXGFJD-UHFFFAOYSA-N |
C1=CNC(=O)NC1=S; O=C1NC=CC(=S)N1 | 4-Thiouracil; 4-sulfanylidene-1~{H}-pyrimidin-2-one |
| 32031 | LDC CHEMBL554563 ZINC000000004253 |
2 | C9 H13 N3 O4 | InChI=1S/C9H13N3O4/c10-7- 1-2-12(9(15)11-7)8-3-5(14 )6(4-13)16-8/h1-2,5-6,8,1 3-14H,3-4H2,(H2,10,11,15) /t5-,6+,8+/m1/s1; CKTSBUTUHBMZGZ-CHKWXVPMSA-N |
NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2 ; C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N )CO)O; C1C(C(OC1N2C=CC(=NC2=O)N)CO)O; NC 1=NC(=O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO )O2; O=C1N=C(N)C=CN1C2OC(C(O)C2)CO |
4-AMINO-1-(2-DEOXY-BETA-L-ERYTHRO-PENTOFURANOSYL)PYRIMIDIN-2(1H)-ONE; L-2'-DEOXYCYTIDINE |
| 32032 | LDD ZINC000000123245 |
1 | C14 H19 N O2 | InChI=1S/C14H19NO2/c1-17- 13-8-6-12(7-9-13)14(16)15 -10-4-2-3-5-11-15/h6-9H,2 -5,10-11H2,1H3; OOKCGNCOULVMQS-UHFFFAOYSA-N |
N1(CCCCCC1)C(c2ccc(cc2)OC)=O; COc1ccc(cc 1)C(=O)N2CCCCCC2 |
(azepan-1-yl)(4-methoxyphenyl)methanone |
| 32033 | LDE ZINC000025109584 |
1 | C11 H22 N O6 P | InChI=1S/C11H22NO6P/c1-7( 2)5-9(12)19(17,18)6-8(11( 15)16)3-4-10(13)14/h7-9H, 3-6,12H2,1-2H3,(H,13,14)( H,15,16)(H,17,18)/t8-,9+/ m0/s1; GANKYZVDRZVCGT-DTWKUNHWSA-N |
CC(C)C[C@H](N)P(=O)(C[C@H](CCC(=O)O)C(=O )O)O; CC(C)C[CH](N)[P](O)(=O)C[CH](CCC(O )=O)C(O)=O; CC(C)C[C@H](N)[P](O)(=O)C[C@ H](CCC(O)=O)C(O)=O; O=P(O)(CC(C(=O)O)CCC (=O)O)C(N)CC(C)C; CC(C)CC(N)P(=O)(CC(CCC (=O)O)C(=O)O)O |
(2R)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]methyl}pentanedioic acid; L-LEU-D-GLU PHOSPHINATE PSEUDODIPEPTIDE |
| 32034 | LDG | 0 | C27 H26 N5 O11 P | InChI=1S/C27H26N5O11P/c1- 40-17-7-14-20(23(35)13-6- 4-3-5-12(13)22(14)34)24(4 1-2)15(17)9-28-27-30-25-2 1(26(36)31-27)29-11-32(25 )19-8-16(33)18(43-19)10-4 2-44(37,38)39/h3-7,11,16, 18-19,33H,8-10H2,1-2H3,(H 2,37,38,39)(H2,28,30,31,3 6)/t16-,18+,19+/m0/s1; DZJXUNLGRPPLSY-QXAKKESOSA-N |
COc1cc2c(c(c1CNC3=Nc4c(ncn4C5CC(C(O5)COP (=O)(O)O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O; COc1cc2C(=O)c3ccccc3C(=O)c2c(OC)c1CNC4= Nc5n(cnc5C(=O)N4)[C@H]6C[C@H](O)[C@@H](C O[P](O)(O)=O)O6; O=C5c1c(cc(c(c1OC)CNC4= Nc3n(C2CC(C(COP(O)(=O)O)O2)O)cnc3C(N4)=O )OC)C(=O)c6c5cccc6; COc1cc2c(c(c1CNC3=Nc 4c(ncn4[C@H]5C[C@@H]([C@H](O5)COP(=O)(O) O)O)C(=O)N3)OC)C(=O)c6ccccc6C2=O; COc1cc 2C(=O)c3ccccc3C(=O)c2c(OC)c1CNC4=Nc5n(cn c5C(=O)N4)[CH]6C[CH](O)[CH](CO[P](O)(O)= O)O6 |
2'-deoxy-N-[(1,3-dimethoxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)methyl]guanosine 5'-(dihydrogen phosphate) |
| 32035 | LDH ZINC000001672447 |
0 | C8 H18 N2 O2 | InChI=1S/C8H18N2O2/c1-2-1 0-6-4-3-5-7(9)8(11)12/h7, 10H,2-6,9H2,1H3,(H,11,12) /t7-/m0/s1; PJWAKMZYPDSMFR-ZETCQYMHSA-N |
CCNCCCC[CH](N)C(O)=O; O=C(O)C(N)CCCCNCC; CCNCCCCC(C(=O)O)N; CCNCCCC[C@@H](C(=O)O )N; CCNCCCC[C@H](N)C(O)=O |
N~6~-ETHYL-L-LYSINE |
| 32036 | LDI | 1 | C15 H23 N3 O2 | InChI=1S/C15H23N3O2/c19-1 5(17-20)14-6-9-18(10-7-14 )11-8-16-12-13-4-2-1-3-5- 13/h1-5,14,16,20H,6-12H2, (H,17,19); IKRHDIZZKCLEPC-UHFFFAOYSA-N |
c1ccc(cc1)CNCCN2CCC(CC2)C(=O)NO; ONC(=O) C1CCN(CCNCc2ccccc2)CC1 |
1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide |
| 32037 | LDJ ZINC000000150322 |
1 | C10 H15 N3 O2 S | InChI=1S/C10H15N3O2S/c1-6 (2)8(14)11-10-13-12-9(16- 10)7-4-3-5-15-7/h6-7H,3-5 H2,1-2H3,(H,11,13,14)/t7- /m0/s1; UBZAQRIGLKOVAH-ZETCQYMHSA-N |
CC(C)C(=O)N=C1NN=C(S1)[CH]2CCCO2; CC(C)C (=O)N=C1NN=C(S1)C2CCCO2; N(/C(C(C)C)=O)= C2\NN=C(C1OCCC1)S2; CC(C)C(=O)/N=C\1/NN= C(S1)[C@@H]2CCCO2; CC(C)C(=O)N=C1NN=C(S1 )[C@@H]2CCCO2 |
2-methyl-N-{5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2(3H)-ylidene}propanamide |
| 32038 | LDK | 1 | C10 H16 N2 O10 S | InChI=1S/C10H16N2O10S/c13 -7(14)3-1-5(9(17)18)11-23 (21,22)12-6(10(19)20)2-4- 8(15)16/h5-6,11-12H,1-4H2 ,(H,13,14)(H,15,16)(H,17, 18)(H,19,20)/t5-,6-/m0/s1; VLYWUCXOEFVQPS-WDSKDSINSA-N |
C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H ](CCC(=O)O)C(=O)O; OC(=O)CC[C@H](N[S](=O )(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O; C(C C(=O)O)C(C(=O)O)NS(=O)(=O)NC(CCC(=O)O)C( =O)O; OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC (O)=O)C(O)=O)C(O)=O |
(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid |
| 32039 | LDL | 2 | C19 H20 N8 O | InChI=1S/C19H20N8O/c20-24 -18(28)15-3-1-13(2-4-15)1 1-27-12-17(25-26-27)14-5- 7-16(8-6-14)23-19-21-9-10 -22-19/h1-8,12H,9-11,20H2 ,(H,24,28)(H2,21,22,23); FNWSHZHKFUFPQJ-UHFFFAOYSA-N |
c1cc(ccc1Cn2cc(nn2)c3ccc(cc3)N=C4NCCN4)C (=O)NN; NNC(=O)c1ccc(Cn2cc(nn2)c3ccc(cc3 )N=C4NCCN4)cc1 |
4-[[4-[4-(imidazolidin-2-ylideneamino)phenyl]-1,2,3-triazol-1-yl]methyl]benzohydrazide |
| 32040 | LDM DB01736 ZINC000053683257 |
2 | C17 H36 N2 O2 | InChI=1S/C17H36N2O2/c1-4- 5-6-7-8-9-10-11-12-14-17( 20)18-15-13-16-19(2,3)21/ h4-16H2,1-3H3,(H,18,20); JNGWKQJZIUZUPR-UHFFFAOYSA-N |
CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]; [O-] [N+](C)(CCCNC(=O)CCCCCCCCCCC)C |
3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDE; [3-(DODECANOYLAMINO)PROPYL](HYDROXY)DIMETHYLAMMONIUM |
| 32041 | LDN CHEMBL513147 DB18051 ZINC000040880920 |
33 | C25 H22 N6 | InChI=1S/C25H22N6/c1-2-4- 24-22(3-1)21(9-10-27-24)2 3-16-29-31-17-19(15-28-25 (23)31)18-5-7-20(8-6-18)3 0-13-11-26-12-14-30/h1-10 ,15-17,26H,11-14H2; CDOVNWNANFFLFJ-UHFFFAOYSA-N |
C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccn c6ccccc56; c1ccc2c(c1)c(ccn2)c3cnn4c3ncc (c4)c5ccc(cc5)N6CCNCC6; n1cc(cn2ncc(c12) c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6 |
4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline |
| 32042 | LDO CHEMBL1233976 DB03412 ZINC000001747033 |
5 | C6 H13 N O3 | InChI=1S/C6H13NO3/c7-5(6( 9)10)3-1-2-4-8/h5,8H,1-4, 7H2,(H,9,10)/t5-/m0/s1; OLUWXTFAPJJWPL-YFKPBYRVSA-N |
N[CH](CCCCO)C(O)=O; C(CCO)C[C@@H](C(=O)O )N; O=C(O)C(N)CCCCO; C(CCO)CC(C(=O)O)N; N[C@@H](CCCCO)C(O)=O |
6-HYDROXY-L-NORLEUCINE |
| 32043 | LDP CHEMBL59 DB00988 ZINC000000033882 |
64 | C8 H11 N O2 | InChI=1S/C8H11NO2/c9-4-3- 6-1-2-7(10)8(11)5-6/h1-2, 5,10-11H,3-4,9H2; VYFYYTLLBUKUHU-UHFFFAOYSA-N |
NCCc1ccc(O)c(O)c1; c1cc(c(cc1CCN)O)O; Oc 1ccc(cc1O)CCN |
L-DOPAMINE; DOPAMINE |
| 32044 | LDQ | 11 | C15 H20 N2 O | InChI=1S/C15H20N2O/c1-9-6 -13-11-8-17-12(4-3-5-14(1 7)18)10(15(9)11)7-16(13)2 /h3-5,9-11,13,15H,6-8H2,1 -2H3/t9-,10-,11-,13-,15-/ m1/s1; PDPSDBUFNKLMBE-FPVNZWGXSA-N |
CC1CC2C3C1C(CN2C)C4=CC=CC(=O)N4C3; C[CH] 1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH ]13; C[C@@H]1C[C@@H]2[C@@H]3[C@H]1[C@H]( CN2C)C4=CC=CC(=O)N4C3; C[C@@H]1C[C@@H]2[ C@H]3CN4C(=O)C=CC=C4[C@@H](CN2C)[C@@H]13 |
Hosieine |
| 32045 | LDR CHEMBL45245 ZINC000008580818 |
6 | C13 H9 N O | InChI=1S/C13H9NO/c15-13-1 1-7-2-1-5-9(11)10-6-3-4-8 -12(10)14-13/h1-8H,(H,14, 15); RZFVLEJOHSLEFR-UHFFFAOYSA-N |
O=C1Nc2ccccc2c3ccccc13; O=C2c3c(c1c(cccc 1)N2)cccc3; c1ccc2c(c1)-c3ccccc3NC2=O |
phenanthridin-6(5H)-one |
| 32046 | LDS CHEMBL1498470 ZINC000000418316 |
1 | C13 H13 N3 O2 | InChI=1S/C13H13N3O2/c1-2- 18-11-5-3-10(4-6-11)16-13 (17)12-9-14-7-8-15-12/h3- 9H,2H2,1H3,(H,16,17); QLRHMFFHGZFFID-UHFFFAOYSA-N |
CCOc1ccc(NC(=O)c2cnccn2)cc1; CCOc1ccc(cc 1)NC(=O)c2cnccn2; n2ccnc(C(Nc1ccc(cc1)OC C)=O)c2 |
N-(4-ethoxyphenyl)pyrazine-2-carboxamide |
| 32047 | LDT CHEMBL395347 DB08084 ZINC000013137482 |
18 | C16 H12 Br F2 N O3 S | InChI=1S/C16H12BrF2NO3S/c 17-10-2-1-9(13(19)5-10)7- 20-16(24)12-4-3-11(18)6-1 4(12)23-8-15(21)22/h1-6H, 7-8H2,(H,20,24)(H,21,22); JCZUIWYXULSXSW-UHFFFAOYSA-N |
Brc1cc(F)c(cc1)CNC(=S)c2ccc(F)cc2OCC(=O) O; OC(=O)COc1cc(F)ccc1C(=S)NCc2ccc(Br)cc 2F; c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc 2F)Br |
IDD594; [2-(4-BROMO-2-FLUORO-BENZYLTHIOCARBAMOYL)-5-FLUORO-PHENOXY]-ACETIC ACID |
| 32048 | LDU CHEMBL1289018 ZINC000026187408 |
1 | C5 H11 N O3 | InChI=1S/C5H11NO3/c7-2-3- 5(9)4(8)1-6-3/h3-9H,1-2H2 /t3-,4-,5+/m1/s1; OQEBIHBLFRADNM-WDCZJNDASA-N |
C1[C@H]([C@H]([C@H](N1)CO)O)O; C1C(C(C(N 1)CO)O)O; OC[CH]1NC[CH](O)[CH]1O; OC[C@H ]1NC[C@@H](O)[C@H]1O |
DIDEOXY-IMINO-LYXITOL |
| 32049 | LDV CHEMBL57478 ZINC000000142608 |
6 | C15 H20 N2 | InChI=1S/C15H20N2/c1-12-6 -8-17(9-7-12)11-13-10-16- 15-5-3-2-4-14(13)15/h2-5, 10,12,16H,6-9,11H2,1H3; DGCGMYNLCDVYMB-UHFFFAOYSA-N |
CC1CCN(CC1)Cc2c[nH]c3c2cccc3; CC1CCN(CC1 )Cc2c[nH]c3ccccc23; N1(CCC(CC1)C)Cc3c2c( cccc2)nc3 |
3-[(4-methylpiperidin-1-yl)methyl]-1H-indole |
| 32050 | LDW ZINC000019869091 |
2 | C11 H9 F N2 O | InChI=1S/C11H9FN2O/c12-8- 1-3-9(4-2-8)15-10-5-6-11( 13)14-7-10/h1-7H,(H2,13,1 4); GJYQBDCLIHYVSB-UHFFFAOYSA-N |
c1cc(ccc1Oc2ccc(nc2)N)F; Nc1ccc(Oc2ccc(F )cc2)cn1 |
5-(4-fluoranylphenoxy)pyridin-2-amine |
| 32051 | LDX | 1 | C15 H15 F N2 O | InChI=1S/C15H15FN2O/c1-11 -8-9-17-10-14(11)18-15(19 )7-6-12-4-2-3-5-13(12)16/ h2-5,8-10H,6-7H2,1H3,(H,1 8,19); QOFPSTBMBIOUPW-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)CCc2ccccc2F; O=C(Nc1cnccc 1C)CCc1ccccc1F |
3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 32052 | LDY CHEMBL1159661 ZINC000003861573 |
2 | C5 H10 O5 | InChI=1S/C5H10O5/c6-2-1-1 0-5(9)4(8)3(2)7/h2-9H,1H2 /t2-,3+,4+,5+/m1/s1; SRBFZHDQGSBBOR-STGXQOJASA-N |
C1C(C(C(C(O1)O)O)O)O; C1[C@H]([C@@H]([C@ @H]([C@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH ](O)[CH]1O; O[C@@H]1CO[C@H](O)[C@@H](O)[ C@H]1O; OC1C(O)COC(O)C1O |
alpha-D-lyxopyranose; alpha-D-lyxose; D-lyxose; lyxose |
| 32053 | LDZ CHEMBL64925 ZINC000013476439 |
83 | C26 H41 N3 O5 | InChI=1S/C26H41N3O5/c1-17 (2)12-21(15-30)27-24(31)2 2(13-18(3)4)28-25(32)23(1 4-19(5)6)29-26(33)34-16-2 0-10-8-7-9-11-20/h7-11,15 ,17-19,21-23H,12-14,16H2, 1-6H3,(H,27,31)(H,28,32)( H,29,33)/t21-,22-,23-/m0/ s1; TZYWCYJVHRLUCT-VABKMULXSA-N |
CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH]( CC(C)C)NC(=O)OCc1ccccc1)C=O; CC(C)C[C@H] (NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N C(=O)OCc1ccccc1)C=O; CC(C)CC(C=O)NC(=O)C (CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1; CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC( =O)[C@H](CC(C)C)NC(=O)OCc1ccccc1; O=CC(N C(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C C(C)C)CC(C)C |
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-L-leucinamide |
| 32054 | LE0 | 2 | C11 H9 F3 O4 | InChI=1S/C11H9F3O4/c12-11 (13,14)7-3-1-2-6(4-7)5-8( 9(15)16)10(17)18/h1-4,8H, 5H2,(H,15,16)(H,17,18); XSRNMILKEJWHAP-UHFFFAOYSA-N |
OC(=O)C(Cc1cccc(c1)C(F)(F)F)C(O)=O; FC(F )(F)c1cccc(CC(C(=O)O)C(=O)O)c1; c1cc(cc( c1)C(F)(F)F)CC(C(=O)O)C(=O)O |
{[3-(trifluoromethyl)phenyl]methyl}propanedioic acid |
| 32055 | LE1 CHEMBL207222 ZINC000000114124 |
0 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-5(2 ,9)3(6)4(7)8/h3,9H,6H2,1- 2H3,(H,7,8)/t3-/m1/s1; VVNCNSJFMMFHPL-GSVOUGTGSA-N |
CC(C)([C@@H](C(=O)O)N)S; O=C(O)C(N)C(S)( C)C; CC(C)(S)[CH](N)C(O)=O; CC(C)(C(C(=O )O)N)S; CC(C)(S)[C@H](N)C(O)=O |
3-sulfanyl-L-valine; L-LE1ICILLAMINE; L-Penicillamine |
| 32056 | LE2 ZINC000082123400 |
6 | C9 H11 N S | InChI=1S/C9H11NS/c11-8-10 -7-6-9-4-2-1-3-5-9/h1-5,8 H,6-7H2,(H,10,11); WVJCPUDEWCGDGL-UHFFFAOYSA-N |
S=CNCCc1ccccc1; c1ccc(cc1)CCNC=S | N-(2-phenylethyl)thioformamide; Phenylethyl isothiocyanate, bound form; N-(2-phenylethyl)thiocarbamyl group |
| 32057 | LE3 | 3 | C6 H13 N O S2 | InChI=1S/C6H13NOS2/c1-10( 8)5-3-2-4-7-6-9/h6H,2-5H2 ,1H3,(H,7,9)/t10-/m1/s1; ZWRKPZDQBQKJAE-SNVBAGLBSA-N |
CS(=O)CCCCNC=S; C[S@@](=O)CCCCNC=S; O=S( CCCCNC=S)C; C[S](=O)CCCCNC=S |
N-{4-[(R)-methylsulfinyl]butyl}thioformamide; L-Sulforaphane, bound form |
| 32058 | LE4 | 1 | C12 H19 N3 O | InChI=1S/C12H19N3O/c16-9- 11-7-8-13-12(15-11)14-10- 5-3-1-2-4-6-10/h7-8,10,16 H,1-6,9H2,(H,13,14,15); PZZOPLADVYBJMO-UHFFFAOYSA-N |
c1cnc(nc1CO)NC2CCCCCC2; OCc1ccnc(NC2CCCC CC2)n1; n1c(nc(CO)cc1)NC2CCCCCC2 |
[2-(cycloheptylamino)pyrimidin-4-yl]methanol |
| 32059 | LE5 ZINC000101496155 |
1 | C18 H14 Cl N5 O | InChI=1S/C18H14ClN5O/c19- 13-6-8-14(9-7-13)20-11-15 -10-16(25)24-18(21-15)22- 17(23-24)12-4-2-1-3-5-12/ h1-10,20H,11H2,(H,21,22,2 3); WFVVVUVTAKJMMN-UHFFFAOYSA-N |
c1ccc(cc1)c2nc3n(n2)C(=O)C=C(N3)CNc4ccc( cc4)Cl; Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N 1)c1ccccc1; Clc1ccc(NCC2=CC(=O)n3nc(nc3N 2)c4ccccc4)cc1 |
(8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| 32060 | LE6 CHEMBL429910 DB06292 ZINC000003819138 |
1 | C21 H25 Cl O6 | InChI=1S/C21H25ClO6/c1-2- 27-15-6-3-12(4-7-15)9-14- 10-13(5-8-16(14)22)21-20( 26)19(25)18(24)17(11-23)2 8-21/h3-8,10,17-21,23-26H ,2,9,11H2,1H3/t17-,18-,19 +,20-,21+/m1/s1; JVHXJTBJCFBINQ-ADAARDCZSA-N |
CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([ C@H]([C@@H]([C@H](O3)CO)O)O)O; CCOc1ccc( Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[ C@H](O)[C@H]3O)cc1; CCOc1ccc(Cc2cc(ccc2C l)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc1 ; CCOc1ccc(cc1)Cc2cc(ccc2Cl)C3C(C(C(C(O3 )CO)O)O)O |
(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol; Dapagliflozin |
| 32061 | LE7 | 1 | C14 H16 F N3 O | InChI=1S/C14H16FN3O/c1-2- 3-12-8-13(18-17-12)14(19) 16-9-10-4-6-11(15)7-5-10/ h4-8H,2-3,9H2,1H3,(H,16,1 9)(H,17,18); KKFBJVYZUOHAJE-UHFFFAOYSA-N |
CCCc1cc([nH]n1)C(=O)NCc2ccc(F)cc2; n1c(c c(CCC)n1)C(NCc2ccc(cc2)F)=O; CCCc1cc([nH ]n1)C(=O)NCc2ccc(cc2)F |
N-[(4-fluorophenyl)methyl]-3-propyl-1H-pyrazole-5-carboxamide |
| 32062 | LE8 CHEMBL1089776 ZINC000049067135 |
1 | C17 H10 Cl F2 N3 O | InChI=1S/C17H10ClF2N3O/c1 8-14-6-11(5-4-10(14)8-21) 23-17-22-9-12(24-17)7-13- 15(19)2-1-3-16(13)20/h1-6 ,9H,7H2,(H,22,23); XMNGPECGUKASMW-UHFFFAOYSA-N |
c1cc(c(c(c1)F)Cc2cnc(o2)Nc3ccc(c(c3)Cl)C #N)F; Fc1cccc(F)c1Cc2oc(Nc3ccc(C#N)c(Cl) c3)nc2; Fc1cccc(F)c1Cc1cnc(Nc2cc(Cl)c(C# N)cc2)o1 |
2-chloro-4-({5-[(2,6-difluorophenyl)methyl]-1,3-oxazol-2-yl}amino)benzonitrile |
| 32063 | LE9 CHEMBL5183297 ZINC000012395922 |
2 | C4 H3 Br F3 N3 | InChI=1S/C4H3BrF3N3/c5-1- 2(4(6,7)8)10-11-3(1)9/h(H 3,9,10,11); ZHAMWMKUYVFDJH-UHFFFAOYSA-N |
Nc1n[nH]c(c1Br)C(F)(F)F; c1(c([nH]nc1N)C (F)(F)F)Br |
4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine; 4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine |
| 32064 | LEA CHEMBL268736 DB02406 ZINC000031500905 |
11 | C5 H10 O2 | InChI=1S/C5H10O2/c1-2-3-4 -5(6)7/h2-4H2,1H3,(H,6,7); NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
O=C(O)CCCC; CCCCC(=O)O; CCCCC(O)=O | PENTANOIC ACID; VALERIC ACID |
| 32065 | LEB | 2 | C16 H14 Br F3 N2 | InChI=1S/C16H14BrF3N2/c1- 21-8-10-2-5-14-13(6-10)12 -4-3-11(17)7-15(12)22(14) 9-16(18,19)20/h2-7,21H,8- 9H2,1H3; CSLYGNIMFCLAJX-UHFFFAOYSA-N |
CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1; C NCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br |
1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine |
| 32066 | LEC CHEMBL595014 DB18294 ZINC000002150875 |
14 | C14 H18 N2 O8 | InChI=1S/C14H18N2O8/c1-7( 18)15-11-13(20)12(19)10(6 -17)24-14(11)23-9-4-2-8(3 -5-9)16(21)22/h2-5,10-14, 17,19-20H,6H2,1H3,(H,15,1 8)/t10-,11-,12-,13-,14-/m 1/s1; OMRLTNCLYHKQCK-DHGKCCLASA-N |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1 Oc2ccc(cc2)[N+]([O-])=O; CC(=O)N[C@@H]1[ C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc( cc2)[N+]([O-])=O; CC(=O)NC1C(C(C(OC1Oc2c cc(cc2)[N+](=O)[O-])CO)O)O; CC(=O)N[C@@H ]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[ N+](=O)[O-])CO)O)O; [O-][N+](=O)c2ccc(OC 1OC(C(O)C(O)C1NC(=O)C)CO)cc2 |
4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside; N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide; 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside; 4-nitrophenyl 2-acetamido-2-deoxy-glucoside |
| 32067 | LED ZINC000034870132 |
0 | C6 H11 N O3 | InChI=1S/C6H11NO3/c1-4(3- 8)2-5(7)6(9)10/h3-5H,2,7H 2,1H3,(H,9,10)/t4-,5+/m1/ s1; ALVALNHXAQAJAM-UHNVWZDZSA-N |
C[CH](C[CH](N)C(O)=O)C=O; CC(CC(C(=O)O)N )C=O; C[C@H](C[C@@H](C(=O)O)N)C=O; C[C@H ](C[C@H](N)C(O)=O)C=O; O=CC(C)CC(N)C(=O) O |
(4R)-5-OXO-L-LEUCINE |
| 32068 | LEE CHEMBL345292 DB04132 ZINC000003874923 |
2 | C16 H29 N3 O6 S | InChI=1S/C16H29N3O6S/c1-2 -3-4-5-8-26-10-12(15(23)1 8-9-14(21)22)19-13(20)7-6 -11(17)16(24)25/h11-12H,2 -10,17H2,1H3,(H,18,23)(H, 19,20)(H,21,22)(H,24,25)/ t11-,12-/m0/s1; HXJDWCWJDCOHDG-RYUDHWBXSA-N |
CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O )N; O=C(NC(C(=O)NCC(=O)O)CSCCCCCC)CCC(C( =O)O)N; CCCCCCSC[CH](NC(=O)CC[CH](N)C(O) =O)C(=O)NCC(O)=O; CCCCCCSC[C@H](NC(=O)CC [C@H](N)C(O)=O)C(=O)NCC(O)=O; CCCCCCSC[C @@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O )N |
L-gamma-glutamyl-S-hexyl-L-cysteinylglycine |
| 32069 | LEF DB02542 |
0 | C6 H12 F N O2 | InChI=1S/C6H12FNO2/c1-4(3 -7)2-5(8)6(9)10/h4-5H,2-3 ,8H2,1H3,(H,9,10)/t4-,5-/ m0/s1; FHOARJRQRXAPOF-WHFBIAKZSA-N |
C[C@@H](C[C@@H](C(=O)O)N)CF; CC(CC(C(=O) O)N)CF; C[CH](CF)C[CH](N)C(O)=O; FCC(CC( N)C(=O)O)C; C[C@H](CF)C[C@H](N)C(O)=O |
(4S)-5-FLUORO-L-LEUCINE |
| 32070 | LEG CHEMBL237600 DB08085 ZINC000013829389 |
2 | C15 H20 O | InChI=1S/C15H20O/c1-3-5-6 -7-8-13-9-11-14(12-10-13) 15(16)4-2/h4,9-12H,2-3,5- 8H2,1H3; IINHTEWASPUCMH-UHFFFAOYSA-N |
O=C(c1ccc(cc1)CCCCCC)\C=C; CCCCCCc1ccc(c c1)C(=O)C=C |
1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE |
| 32071 | LEH DB08086 ZINC000053683360 |
2 | C21 H37 N3 O3 | InChI=1S/C21H37N3O3/c1-18 (2)16-19(21(26)27)23-20(2 5)12-10-8-6-4-3-5-7-9-11- 14-24-15-13-22-17-24/h13, 15,17-19H,3-12,14,16H2,1- 2H3,(H,23,25)(H,26,27)/t1 9-/m0/s1; PSJOKLGFODYIHJ-IBGZPJMESA-N |
O=C(O)C(NC(=O)CCCCCCCCCCCn1ccnc1)CC(C)C; CC(C)CC(C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1 ; CC(C)C[CH](NC(=O)CCCCCCCCCCCn1ccnc1)C( O)=O; CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCC CCCn1ccnc1; CC(C)C[C@H](NC(=O)CCCCCCCCCC Cn1ccnc1)C(O)=O |
N-[12-(1H-imidazol-1-yl)dodecanoyl]-L-leucine |
| 32072 | LEI CHEMBL1430 DB00859 ZINC000000114127 |
0 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-5(2 ,9)3(6)4(7)8/h3,9H,6H2,1- 2H3,(H,7,8)/t3-/m0/s1; VVNCNSJFMMFHPL-VKHMYHEASA-N |
O=C(O)C(N)C(S)(C)C; CC(C)([C@H](C(=O)O)N )S; CC(C)(S)[CH](N)C(O)=O; CC(C)(S)[C@@H ](N)C(O)=O; CC(C)(C(C(=O)O)N)S |
3-sulfanyl-D-valine; D-PENICILLAMINE |
| 32073 | LEJ | 1 | C12 H10 F3 N3 O | InChI=1S/C12H10F3N3O/c13- 9-3-1-8(2-4-9)7-16-11(19) 10-5-6-18(17-10)12(14)15/ h1-6,12H,7H2,(H,16,19); VWUCCGXVOAIBBR-UHFFFAOYSA-N |
n2(ccc(C(NCc1ccc(F)cc1)=O)n2)C(F)F; c1cc (ccc1CNC(=O)c2ccn(n2)C(F)F)F; FC(F)n1ccc (n1)C(=O)NCc2ccc(F)cc2 |
1-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-3-carboxamide |
| 32074 | LEK | 4 | C19 H19 N3 S | InChI=1S/C19H19N3S/c1-3-2 2-18-7-4-13(10-20-2)8-16( 18)15-6-5-14(9-19(15)22)1 7-11-23-12-21-17/h4-9,11- 12,20H,3,10H2,1-2H3; BYZRRANZUUJGLQ-UHFFFAOYSA-N |
CCn1c2ccc(CNC)cc2c3ccc(cc13)c4cscn4; CCn 1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC |
1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine |
| 32075 | LEL CHEMBL3621851 ZINC000230584273 |
2 | C8 H6 N4 O2 | InChI=1S/C8H6N4O2/c13-8(1 4)5-1-2-9-6(3-5)7-4-10-12 -11-7/h1-4H,(H,13,14)(H,1 0,11,12); XGBRXPYFGYDEMS-UHFFFAOYSA-N |
O=C(O)c2ccnc(c1nnnc1)c2; c1cnc(cc1C(=O)O )c2cn[nH]n2; OC(=O)c1ccnc(c1)c2cn[nH]n2 |
2-(2H-1,2,3-triazol-4-yl)pyridine-4-carboxylic acid |
| 32076 | LEM CHEMBL342867 |
0 | C7 H15 N O | InChI=1S/C7H15NO/c1-5(2)4 -7(8)6(3)9/h5,7H,4,8H2,1- 3H3/t7-/m0/s1; RVCJZAGFTBLSSU-ZETCQYMHSA-N |
CC(C)C[CH](N)C(C)=O; CC(C)CC(C(=O)C)N; O =C(C)C(N)CC(C)C; CC(C)C[C@@H](C(=O)C)N; CC(C)C[C@H](N)C(C)=O |
(3S)-3-amino-5-methylhexan-2-one; Deoxy-methyl-leucine |
| 32077 | LEN CHEMBL42003 ZINC000004658584 |
2 | C5 H13 N | InChI=1S/C5H13N/c1-5(2)3- 4-6/h5H,3-4,6H2,1-2H3; BMFVGAAISNGQNM-UHFFFAOYSA-N |
CC(C)CCN; NCCC(C)C | 3-METHYLBUTAN-1-AMINE |
| 32078 | LEO ZINC000004097365 |
11 | C10 H16 O | InChI=1S/C10H16O/c1-7(2)8 -4-5-10(3)9(6-8)11-10/h8- 9H,1,4-6H2,2-3H3/t8-,9-,1 0+/m1/s1; CCEFMUBVSUDRLG-BBBLOLIVSA-N |
CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C; CC( =C)C1CCC2(C(C1)O2)C; CC(=C)[CH]1CC[C]2(C )O[CH]2C1; CC(=C)[C@@H]1CC[C@]2(C)O[C@@H ]2C1; O1C2(C)CCC(/C(=C)C)CC12 |
D-LIMONENE 1,2-EPOXIDE |
| 32079 | LEP CHEMBL47541 |
0 | C6 H15 N2 O4 P | InChI=1S/C6H15N2O4P/c1-4( 2)3-5(6(7)9)8-13(10,11)12 /h4-5H,3H2,1-2H3,(H2,7,9) (H3,8,10,11,12)/t5-/m0/s1; LHNDGZQCKJAVRF-YFKPBYRVSA-N |
CC(C)CC(C(=O)N)NP(=O)(O)O; CC(C)C[C@@H]( C(=O)N)NP(=O)(O)O; CC(C)C[CH](N[P](O)(O) =O)C(N)=O; CC(C)C[C@H](N[P](O)(O)=O)C(N) =O; O=P(O)(O)NC(C(=O)N)CC(C)C |
N~2~-phosphono-L-leucinamide; P-Leu-NH2 |
| 32080 | LEQ ZINC000040539343 |
1 | C14 H14 N2 O2 S | InChI=1S/C14H14N2O2S/c1-1 5-8-11(2-3-13(15)17)14(18 )16-6-4-12-10(9-16)5-7-19 -12/h2-3,5,7-8H,4,6,9H2,1 H3; PXCRFQLKGNEWBG-UHFFFAOYSA-N |
CN1C=C(C=CC1=O)C(=O)N2CCc3c(ccs3)C2; CN1 C=C(C=CC1=O)C(=O)N2CCc3sccc3C2 |
5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one |
| 32081 | LER ZINC000000901231 |
9 | C4 H8 O4 | InChI=1S/C4H8O4/c5-1-3(7) 4(8)2-6/h3,5-7H,1-2H2/t3- /m0/s1; UQPHVQVXLPRNCX-VKHMYHEASA-N |
C(O)C(C(CO)O)=O; C([C@@H](C(=O)CO)O)O; O C[CH](O)C(=O)CO; C(C(C(=O)CO)O)O; OC[C@H ](O)C(=O)CO |
L-Erythrulose; (3S)-1,3,4-trihydroxybutan-2-one |
| 32082 | LES | 1 | C10 H16 N4 | InChI=1S/C10H16N4/c1-2-5- 11-8-9(4-1)14-10-12-6-3-7 -13-10/h3,6-7,9,11H,1-2,4 -5,8H2,(H,12,13,14)/t9-/m 0/s1; PFXDAYBNPUUKPB-VIFPVBQESA-N |
C1CC[C@@H](CNC1)Nc2ncccn2; C1CC[CH](CNC1 )Nc2ncccn2; c1cnc(nc1)NC2CCCCNC2; N(C1CN CCCC1)c2ncccn2; c1cnc(nc1)N[C@H]2CCCCNC2 |
(3S)-N-(pyrimidin-2-yl)azepan-3-amine |
| 32083 | LET ZINC000058649650 |
0 | C16 H26 N2 O8 | InChI=1S/C16H26N2O8/c17-1 3(16(24)25)3-1-2-8-18-11( 4-6-14(20)21)9-26-10-12(1 9)5-7-15(22)23/h13H,1-10, 17H2,(H,20,21)(H,22,23)(H ,24,25)/b18-11+/t13-/m0/s 1; CAXNMAPFZIWDHX-FHXOWUIVSA-N |
C(CC/N=C(\CCC(=O)O)/COCC(=O)CCC(=O)O)C[C @@H](C(=O)O)N; N[CH](CCCCN=C(CCC(O)=O)CO CC(=O)CCC(O)=O)C(O)=O; N[C@@H](CCCCN=C(C CC(O)=O)COCC(=O)CCC(O)=O)C(O)=O; C(CCN=C (CCC(=O)O)COCC(=O)CCC(=O)O)CC(C(=O)O)N; O=C(COC/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CCC (=O)O |
(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE; 2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID |
| 32084 | LEU CHEMBL291962 DB00149 ZINC000003645145 |
255 | C6 H13 N O2 | InChI=1S/C6H13NO2/c1-4(2) 3-5(7)6(8)9/h4-5H,3,7H2,1 -2H3,(H,8,9)/t5-/m0/s1; ROHFNLRQFUQHCH-YFKPBYRVSA-N |
CC(C)C[C@@H](C(=O)O)N; CC(C)C[C@H](N)C(O )=O; CC(C)CC(C(=O)O)N; O=C(O)C(N)CC(C)C; CC(C)C[CH](N)C(O)=O |
LEUCINE |
| 32085 | LEV CHEMBL1289601 DB09078 ZINC000003816292 |
3 | C21 H19 Cl N4 O4 | InChI=1S/C21H19ClN4O4/c1- 29-19-10-17-13(9-14(19)20 (23)27)18(6-7-24-17)30-12 -4-5-16(15(22)8-12)26-21( 28)25-11-2-3-11/h4-11H,2- 3H2,1H3,(H2,23,27)(H2,25, 26,28); WOSKHXYHFSIKNG-UHFFFAOYSA-N |
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3) c2cc1C(N)=O; COc1cc2c(cc1C(=O)N)c(ccn2)O c3ccc(c(c3)Cl)NC(=O)NC4CC4; COc2cc1nccc( c1cc2C(N)=O)Oc3cc(c(cc3)NC(=O)NC4CC4)Cl |
4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide; lenvatinib |
| 32086 | LEW CHEMBL600202 ZINC000045373802 |
1 | C18 H19 N3 O5 | InChI=1S/C18H19N3O5/c22-9 -14-15(23)16(24)17(25)18( 26-14)21-8-13(19-20-21)12 -7-3-5-10-4-1-2-6-11(10)1 2/h1-8,14-18,22-25H,9H2/t 14-,15-,16+,17-,18-/m1/s1; ZQSWMZLNZOWSSB-UYTYNIKBSA-N |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O )n2cc(nn2)c3cccc4ccccc34; n1nn(cc1c3c2cc ccc2ccc3)C4OC(C(O)C(O)C4O)CO; c1ccc2c(c1 )cccc2c3cn(nn3)C4C(C(C(C(O4)CO)O)O)O; c1 ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H ]([C@@H]([C@H](O4)CO)O)O)O; OC[CH]1O[CH] ([CH](O)[CH](O)[CH]1O)n2cc(nn2)c3cccc4cc ccc34 |
1-beta-D-glucopyranosyl-4-naphthalen-1-yl-1H-1,2,3-triazole |
| 32087 | LEX | 0 | C7 H15 N O2 | InChI=1S/C7H15NO2/c1-5(2) 3-6(8)7(10)4-9/h5-6,9H,3- 4,8H2,1-2H3/t6-/m0/s1; VEROGSXUMLPXMN-LURJTMIESA-N |
CC(C)C[C@H](N)C(=O)CO; CC(C)C[CH](N)C(=O )CO; O=C(C(N)CC(C)C)CO; CC(C)CC(C(=O)CO) N; CC(C)C[C@@H](C(=O)CO)N |
(3S)-3-amino-1-hydroxy-5-methylhexan-2-one |
| 32088 | LEY CHEMBL4921316 |
1 | C14 H16 F N3 O | InChI=1S/C14H16FN3O/c1-9( 2)13-16-8-12(18-13)14(19) 17-7-10-3-5-11(15)6-4-10/ h3-6,8-9H,7H2,1-2H3,(H,16 ,18)(H,17,19); TURNDZZBBPNUCW-UHFFFAOYSA-N |
CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F; CC( C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2; n2c(C( NCc1ccc(cc1)F)=O)cnc2C(C)C |
N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide |
| 32089 | LEZ | 1 | C21 H24 Cl N3 | InChI=1S/C21H24ClN3/c22-1 8-5-3-4-16(12-18)13-23-19 -8-10-25(11-9-19)15-17-14 -24-21-7-2-1-6-20(17)21/h 1-7,12,14,19,23-24H,8-11, 13,15H2; ZBFRXMWMJAMISF-UHFFFAOYSA-N |
Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c 1; c1ccc2c(c1)c(c[nH]2)CN3CCC(CC3)NCc4cc cc(c4)Cl |
~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine |
| 32090 | LF0 CHEMBL3287908 ZINC000095921378 |
16 | C25 H27 N O4 | InChI=1S/C25H27NO4/c1-15- 21(23(24(27)28)30-25(2,3) 4)22(18-9-5-6-10-19(18)26 -15)17-11-12-20-16(14-17) 8-7-13-29-20/h5-6,9-12,14 ,23H,7-8,13H2,1-4H3,(H,27 ,28)/t23-/m0/s1; ZFERZAMPQIXCPM-QHCPKHFHSA-N |
Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)C(C(= O)O)OC(C)(C)C; Cc1c(c(c2ccccc2n1)c3ccc4c (c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C; O=C(O )C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCC c2c3)C; Cc1nc2ccccc2c(c3ccc4OCCCc4c3)c1[ C@H](OC(C)(C)C)C(O)=O; Cc1nc2ccccc2c(c3c cc4OCCCc4c3)c1[CH](OC(C)(C)C)C(O)=O |
(2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid |
| 32091 | LF1 CHEMBL3828191 ZINC000575623806 |
5 | C22 H27 N5 O3 | InChI=1S/C22H27N5O3/c1-14 -13-23-9-10-27(14)17-12-1 9-18(25(2)22(29)26(19)3)1 1-16(17)24-21(28)15-7-5-6 -8-20(15)30-4/h5-8,11-12, 14,23H,9-10,13H2,1-4H3,(H ,24,28)/t14-/m1/s1; FQWDVNSBYDXPIO-CQSZACIVSA-N |
CC1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C( =O)N3C)C; COc1ccccc1C(=O)Nc2cc3N(C)C(=O) N(C)c3cc2N4CCNC[C@H]4C; COc1ccccc1C(=O)N c2cc3N(C)C(=O)N(C)c3cc2N4CCNC[CH]4C; C[C @@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N( C(=O)N3C)C |
N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxidanylidene-benzimidazol-5-yl]-2-methoxy-benzamide |
| 32092 | LF2 CHEMBL3259895 ZINC000098209106 |
2 | C22 H21 Br Cl N O3 | InChI=1S/C22H21BrClNO3/c1 -12-18(20(21(26)27)28-22( 2,3)4)19(13-5-8-15(24)9-6 -13)16-11-14(23)7-10-17(1 6)25-12/h5-11,20H,1-4H3,( H,26,27)/t20-/m0/s1; UXIVWMINNPGARX-FQEVSTJZSA-N |
Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)C(C(= O)O)OC(C)(C)C; Cc1c(c(c2cc(ccc2n1)Br)c3c cc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C; O=C(O )C(OC(C)(C)C)c1c(c2cc(Br)ccc2nc1C)c3ccc( Cl)cc3; Cc1nc2ccc(Br)cc2c(c3ccc(Cl)cc3)c 1[C@H](OC(C)(C)C)C(O)=O; Cc1nc2ccc(Br)cc 2c(c3ccc(Cl)cc3)c1[CH](OC(C)(C)C)C(O)=O |
(2S)-[6-bromo-4-(4-chlorophenyl)-2-methylquinolin-3-yl](tert-butoxy)ethanoic acid |
| 32093 | LF3 | 1 | C16 H14 Cl N3 O3 | InChI=1S/C16H14ClN3O3/c1- 10-4-5-18-7-12(10)19-15(2 1)8-20-13-6-11(17)2-3-14( 13)23-9-16(20)22/h2-7H,8- 9H2,1H3,(H,19,21); SHDRXRMTUQTXFE-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)CN2c3cc(ccc3OCC2=O)Cl; Cc 1ccncc1NC(=O)CN2C(=O)COc3ccc(Cl)cc23; Cc 1ccncc1NC(=O)CN1c2cc(Cl)ccc2OCC1=O |
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 32094 | LF4 | 1 | C14 H16 F N3 O | InChI=1S/C14H16FN3O/c1-9( 2)12-7-13(18-17-12)14(19) 16-8-10-3-5-11(15)6-4-10/ h3-7,9H,8H2,1-2H3,(H,16,1 9)(H,17,18); JIIFDIPYTRJFHZ-UHFFFAOYSA-N |
n1c(cc(n1)C(C)C)C(NCc2ccc(cc2)F)=O; CC(C )c1cc([nH]n1)C(=O)NCc2ccc(F)cc2; CC(C)c1 cc([nH]n1)C(=O)NCc2ccc(cc2)F |
N-[(4-fluorophenyl)methyl]-3-(propan-2-yl)-1H-pyrazole-5-carboxamide |
| 32095 | LF5 | 5 | C12 H13 Cl N2 O S | InChI=1S/C12H13ClN2OS/c1- 6(2)16-9-4-3-8(13)7-5-10( 12(14)15)17-11(7)9/h3-6H, 1-2H3,(H3,14,15); RFZOPKHHJPMIJW-UHFFFAOYSA-N |
[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N; C C(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl; CC(C)Oc1 ccc(Cl)c2cc(sc12)C(N)=N |
4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
| 32096 | LF6 ZINC000195531027 |
3 | C9 H15 N3 O S | InChI=1S/C9H15N3OS/c1-6-1 0-9(14-12-6)11-8-4-2-3-7( 8)5-13/h7-8,13H,2-5H2,1H3 ,(H,10,11,12)/t7-,8+/m0/s 1; QUKZXHGECCPEIZ-JGVFFNPUSA-N |
CC1=NC(SN1)=N[C@@H]2CCC[C@H]2CO; CC1=N/C (=N/[C@@H]2CCC[C@H]2CO)/SN1; CC1=NC(SN1) =N[CH]2CCC[CH]2CO; CC1=NC(=NC2CCCC2CO)SN 1; CC1=N\C(=N\C2CCCC2CO)SN1 |
{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol |
| 32097 | LF7 | 4 | C17 H27 N3 O2 | InChI=1S/C17H27N3O2/c18-9 -14-2-1-3-20(14)15(21)10- 19-16-5-12-4-13(6-16)8-17 (22,7-12)11-16/h9,12-14,1 8-19,22H,1-8,10-11H2/b18- 9+/t12-,13+,14-,16+,17-/m 0/s1; LUWVSODOPBYGON-FEZPVXCISA-N |
[H]/N=C/[C@@H]1CCCN1C(=O)CNC23C[C@H]4C[C @@H](C2)CC(C4)(C3)O; OC12C[C@H]3C[C@@H]( C1)CC(C3)(C2)NCC(=O)N4CCC[C@H]4C=N; C1CC (N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C=N ; OC12C[CH]3C[CH](C1)CC(C3)(C2)NCC(=O)N4 CCC[CH]4C=N; O=C(N1C(CCC1)\C=N)CNC24CC3C C(C2)CC(C3)(O)C4 |
2-{[(1r,3s,5R,7S)-3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl]amino}-1-{(2S)-2-[(E)-iminomethyl]pyrrolidin-1-yl}ethan-1-o ne; Vildagliptin, bound form |
| 32098 | LF8 CHEMBL3287924 ZINC000098209107 |
1 | C27 H30 Cl N O3 | InChI=1S/C27H30ClNO3/c1-1 5-8-9-20(14-16(15)2)24-17 (3)22(19-10-12-21(28)13-1 1-19)23(18(4)29-24)25(26( 30)31)32-27(5,6)7/h8-14,2 5H,1-7H3,(H,30,31)/t25-/m 0/s1; DQQCEFPUGHRAEE-VWLOTQADSA-N |
Cc1ccc(cc1C)c2c(c(c(c(n2)C)C(C(=O)O)OC(C )(C)C)c3ccc(cc3)Cl)C; O=C(O)C(OC(C)(C)C) c1c(c(c(nc1C)c2ccc(c(c2)C)C)C)c3ccc(Cl)c c3; Cc1ccc(cc1C)c2nc(C)c([C@H](OC(C)(C)C )C(O)=O)c(c2C)c3ccc(Cl)cc3; Cc1ccc(cc1C) c2nc(C)c([CH](OC(C)(C)C)C(O)=O)c(c2C)c3c cc(Cl)cc3; Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C @@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C |
(2S)-tert-butoxy[4-(4-chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethylpyridin-3-yl]ethanoic acid |
| 32099 | LF9 ZINC000098209108 |
2 | C26 H26 Cl N3 O3 | InChI=1S/C26H26ClN3O3/c1- 14-20(16-9-7-6-8-10-16)21 (23(25(31)32)33-26(3,4)5) 15(2)28-22(14)24-29-18-12 -11-17(27)13-19(18)30-24/ h6-13,23H,1-5H3,(H,29,30) (H,31,32)/t23-/m0/s1; CTTJHLOYHQRQKO-QHCPKHFHSA-N |
Cc1nc(c(C)c(c2ccccc2)c1[CH](OC(C)(C)C)C( O)=O)c3[nH]c4ccc(Cl)cc4n3; O=C(O)C(OC(C) (C)C)c2c(c1ccccc1)c(c(nc2C)c4nc3cc(Cl)cc c3n4)C; Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl )C)C(C(=O)O)OC(C)(C)C)c4ccccc4; Cc1c(c(c (nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O )OC(C)(C)C)c4ccccc4; Cc1nc(c(C)c(c2ccccc 2)c1[C@H](OC(C)(C)C)C(O)=O)c3[nH]c4ccc(C l)cc4n3 |
(2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid |
| 32100 | LFA ZINC000015638542 |
0 | C20 H42 | InChI=1S/C20H42/c1-3-5-7- 9-11-13-15-17-19-20-18-16 -14-12-10-8-6-4-2/h3-20H2 ,1-2H3; CBFCDTFDPHXCNY-UHFFFAOYSA-N |
C(CCCCCCCCCCCCCCCCC)CC; CCCCCCCCCCCCCCCC CCCC |
EICOSANE; LIPID FRAGMENT |
| 32101 | LFB | 1 | C10 H10 N2 O S | InChI=1S/C10H10N2OS/c1-13 -7-4-2-3-6-5-8(10(11)12)1 4-9(6)7/h2-5H,1H3,(H3,11, 12); ZWUNRCDOCDRURS-UHFFFAOYSA-N |
COc1cccc2c1sc(c2)C(=N)N; COc1cccc2cc(sc1 2)C(N)=N; [H]/N=C(\c1cc2cccc(c2s1)OC)/N |
7-methoxy-1-benzothiophene-2-carboximidamide |
| 32102 | LFC ZINC000000901090 |
3 | C6 H12 O6 | InChI=1S/C6H12O6/c1-2(7)3 (8)4(9)5(10)6(11)12/h2-5, 7-10H,1H3,(H,11,12)/t2-,3 +,4+,5-/m0/s1; NBFWIISVIFCMDK-RSJOWCBRSA-N |
C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O; CC( C(C(C(C(=O)O)O)O)O)O; C[C@H](O)[C@@H](O) [C@@H](O)[C@H](O)C(O)=O; C[C@@H]([C@H]([ C@H]([C@@H](C(=O)O)O)O)O)O; O=C(O)C(O)C( O)C(O)C(O)C |
6-deoxy-L-galactonic acid |
| 32103 | LFD CHEMBL3318325 ZINC000098209109 |
2 | C28 H25 Cl4 N5 O2 | InChI=1S/C28H25Cl4N5O2/c2 9-19-1-7-23(25(31)15-19)2 7(17-35-10-9-33-18-35)39- 28(38)34-20-2-4-21(5-3-20 )36-11-13-37(14-12-36)22- 6-8-24(30)26(32)16-22/h1- 10,15-16,18,27H,11-14,17H 2,(H,34,38)/t27-/m0/s1; RKYWJGOKHMLHHS-MHZLTWQESA-N |
c1cc(ccc1NC(=O)OC(Cn2ccnc2)c3ccc(cc3Cl)C l)N4CCN(CC4)c5ccc(c(c5)Cl)Cl; Clc1ccc([C @H](Cn2ccnc2)OC(=O)Nc3ccc(cc3)N4CCN(CC4) c5ccc(Cl)c(Cl)c5)c(Cl)c1; Clc1ccc(cc1Cl) N5CCN(c2ccc(cc2)NC(=O)OC(c3ccc(Cl)cc3Cl) Cn4ccnc4)CC5; c1cc(ccc1NC(=O)O[C@@H](Cn2 ccnc2)c3ccc(cc3Cl)Cl)N4CCN(CC4)c5ccc(c(c 5)Cl)Cl; Clc1ccc([CH](Cn2ccnc2)OC(=O)Nc3 ccc(cc3)N4CCN(CC4)c5ccc(Cl)c(Cl)c5)c(Cl) c1 |
(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl {4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phenyl}carbamate |
| 32104 | LFE | 4 | C54 H70 Cl N9 O11 S2 | InChI=1S/C54H70ClN9O11S2/ c1-31-33(3)77-53-46(31)47 (35-10-12-38(55)13-11-35) 59-41(50-62-61-34(4)64(50 )53)24-44(66)58-39-27-72- 17-14-70-16-19-74-29-45(6 7)60-49(54(5,6)7)52(69)63 -26-40(65)23-42(63)51(68) 56-25-37-9-8-36(48-32(2)5 7-30-76-48)22-43(37)75-21 -20-71-15-18-73-28-39/h8- 13,22,30,39-42,47,49,59,6 5H,14-21,23-29H2,1-7H3,(H ,56,68)(H,58,66)(H,60,67) /t39-,40+,41-,42-,47-,49+ /m0/s1; VFKKFUVFBVEDJY-NXSSZGKESA-N |
Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NC4COC COCCOCC(=O)NC(C(=O)N5CC(CC5C(=O)NCc6ccc( cc6OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc (cc8)Cl)C; Cc1c(sc-2c1[C@@H](N[C@H](c3n2 c(nn3)C)CC(=O)N[C@H]4COCCOCCOCC(=O)N[C@H ](C(=O)N5C[C@@H](C[C@H]5C(=O)NCc6ccc(cc6 OCCOCCOC4)c7c(ncs7)C)O)C(C)(C)C)c8ccc(cc 8)Cl)C; Cc1sc2n3c(C)nnc3[CH](CC(=O)N[CH] 4COCCOCCOCC(=O)N[CH](C(=O)N5C[CH](O)C[CH ]5C(=O)NCc6ccc(cc6OCCOCCOC4)c7scnc7C)C(C )(C)C)N[CH](c8ccc(Cl)cc8)c2c1C; Cc1sc2n3 c(C)nnc3[C@H](CC(=O)N[C@H]4COCCOCCOCC(=O )N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)NCc6 ccc(cc6OCCOCCOC4)c7scnc7C)C(C)(C)C)N[C@@ H](c8ccc(Cl)cc8)c2c1C |
~{N}-[(5~{S},7~{R},11~{S},23~{S})-11-~{tert}-butyl-34-(4-methyl-1,3-thiazol-5-yl)-7-oxidanyl-4,10,13-tris(oxidanylidene)-15,18,21,25,28,31-hexaoxa-3,9,12-triazatricyclo[30.4.0.0^{5,9}]hexatriaconta-1(32),33,35-trien-23-yl]-2-[(7~{S},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide |
| 32105 | LFF ZINC000014976267 |
2 | C26 H35 N2 O6 P | InChI=1S/C26H35N2O6P/c1-1 8(2)14-23(27-19(3)29)25(3 0)28-24(16-21-12-8-5-9-13 -21)35(33,34)17-22(26(31) 32)15-20-10-6-4-7-11-20/h 4-13,18,22-24H,14-17H2,1- 3H3,(H,27,29)(H,28,30)(H, 31,32)(H,33,34)/t22-,23+, 24-/m1/s1; GRMCSCYPDCPNRA-TZRRMPRUSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O )(C[C@@H](Cc2ccccc2)C(=O)O)O)NC(=O)C; CC (C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[P ](O)(=O)C[CH](Cc2ccccc2)C(O)=O; CC(C)CC( C(=O)NC(Cc1ccccc1)P(=O)(CC(Cc2ccccc2)C(= O)O)O)NC(=O)C; CC(C)C[C@H](NC(C)=O)C(=O) N[C@@H](Cc1ccccc1)[P](O)(=O)C[C@@H](Cc2c cccc2)C(O)=O; O=C(O)C(Cc1ccccc1)CP(=O)(O )C(NC(=O)C(NC(=O)C)CC(C)C)Cc2ccccc2 |
(2S)-3-[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]-2-phenylethyl}(hydroxy)phosphoryl]-2-benzylpropanoic acid; ACETYL-LEU-PHE-Y(PO2CH2)-PHE-OH |
| 32106 | LFG | 2 | C12 H19 N3 O | InChI=1S/C12H19N3O/c1-2-4 -6-10(5-3-1)13-12-15-14-1 1(16-12)9-7-8-9/h9-10H,1- 8H2,(H,13,15); JVKMRHJNTQEBIV-UHFFFAOYSA-N |
C1CCCC(CC1)Nc2nnc(o2)C3CC3; C1CCCC(CC1)N c2oc(nn2)C3CC3; n2nc(NC1CCCCCC1)oc2C3CC3 |
N-cycloheptyl-5-cyclopropyl-1,3,4-oxadiazol-2-amine |
| 32107 | LFH | 2 | C7 H5 Fe2 N3 O3 S3 | InChI=1S/C2H6NS2.2CN.3CO. 2Fe.H2S/c4-1-3-2-5;5*1-2; ;;/h3-4H,1-2H2;;;;;;;;1H2 /q;;;;2*+1;;+1;/p-2; VVXMKEXCTCBOII-UHFFFAOYSA-L |
S.O=C1[Fe](C#N)(C#[O+])[S-]2CNCS[Fe]12(C #N)C#[O+]; C1NC[S]2[Fe]3([S-]1[Fe]2(C3=O )(C#N)(C#[O+])[S])(C#N)C#[O+] |
dicarbonyl[bis(cyanide-kappaC)]-mu-(iminodimethanethiolatato-1kappaS:2kappaS)-mu-(oxomethylidene)diiron(2+) sulphide |
| 32108 | LFI | 3 | C12 H18 Br3 N3 O3 | InChI=1S/C12H18Br3N3O3/c1 3-4-1-10(19)16-7-17(11(20 )2-5-14)9-18(8-16)12(21)3 -6-15/h1-9H2; UYNTZRFVDTZUQI-UHFFFAOYSA-N |
C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr; BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr |
1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one; Chemical crosslinker |
| 32109 | LFJ | 1 | C15 H16 N2 O4 | InChI=1S/C15H16N2O4/c1-11 (18)16-5-2-6-17(8-7-16)15 (19)12-3-4-13-14(9-12)21- 10-20-13/h2-5,9H,6-8,10H2 ,1H3; BVVWUNAJSHTQLD-UHFFFAOYSA-N |
CC(=O)N1CCN(CC=C1)C(=O)c2ccc3c(c2)OCO3; CC(=O)N1CCN(CC=C1)C(=O)c2ccc3OCOc3c2; N1 (CCN(C=CC1)C(C)=O)C(=O)c2cc3c(cc2)OCO3 |
1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one |
| 32110 | LFK | 2 | C14 H10 O5 | InChI=1S/C14H10O5/c15-11- 5-1-4-10(7-11)14(18)19-12 -6-2-3-9(8-12)13(16)17/h1 -8,15H,(H,16,17); IZVHEBMVWHVUFW-UHFFFAOYSA-N |
c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O; OC( =O)c1cccc(OC(=O)c2cccc(O)c2)c1 |
3-(3-hydroxyphenyl)carbonyloxybenzoic acid |
| 32111 | LFL CHEMBL3039507 DB12713 ZINC000095641922 |
1 | C21 H25 Cl O5 S | InChI=1S/C21H25ClO5S/c1-3 -26-15-7-4-12(5-8-15)10-1 4-11-13(6-9-16(14)22)20-1 8(24)17(23)19(25)21(27-20 )28-2/h4-9,11,17-21,23-25 H,3,10H2,1-2H3/t17-,18-,1 9+,20+,21-/m1/s1; QKDRXGFQVGOQKS-CRSSMBPESA-N |
CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([ C@H]([C@@H]([C@H](O3)SC)O)O)O; CCOc1ccc( Cc2cc(ccc2Cl)[C@@H]3O[C@H](SC)[C@@H](O)[ C@H](O)[C@H]3O)cc1; CCOc1ccc(cc1)Cc2cc(c cc2Cl)C3C(C(C(C(O3)SC)O)O)O; CCOc1ccc(Cc 2cc(ccc2Cl)[CH]3O[CH](SC)[CH](O)[CH](O)[ CH]3O)cc1 |
(2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyl-oxane-3,4,5-triol; Sotagliflozin |
| 32112 | LFM CHEMBL4961169 |
1 | C14 H14 F N3 O2 | InChI=1S/C14H14FN3O2/c15- 11-4-2-10(3-5-11)8-16-13( 19)12-9-17-18-6-1-7-20-14 (12)18/h2-5,9H,1,6-8H2,(H ,16,19); GWOXVNOLEPNQGX-UHFFFAOYSA-N |
c1cc(ccc1CNC(=O)c2cnn3c2OCCC3)F; N(Cc1cc c(F)cc1)C(=O)c2cnn3c2OCCC3; Fc1ccc(CNC(= O)c2cnn3CCCOc23)cc1 |
N-[(4-fluorophenyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide |
| 32113 | LFN CHEMBL1233985 DB04726 ZINC000000391159 |
3 | C13 H12 N4 O2 | InChI=1S/C13H12N4O2/c1-6- 4-8-9(5-7(6)2)17(3)11-10( 14-8)12(18)16-13(19)15-11 /h4-5H,1-3H3,(H,16,18,19); KPDQZGKJTJRBGU-UHFFFAOYSA-N |
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C; C N1c2cc(C)c(C)cc2N=C3C(=O)NC(=O)N=C13; O= C2N=C1N(c3cc(c(cc3N=C1C(=O)N2)C)C)C |
LUMIFLAVIN; 7,8,10-TRIMETHYLBENZO[G]PTERIDINE-2,4(3H,10H)-DIONE |
| 32114 | LFO ZINC000004054174 |
7 | C11 H12 N2 O | InChI=1S/C11H12N2O/c1-12- 11(14)9-7-13(2)10-6-4-3-5 -8(9)10/h3-7H,1-2H3,(H,12 ,14); OHXYWSIWHXTWCT-UHFFFAOYSA-N |
CNC(=O)c1cn(c2c1cccc2)C; CNC(=O)c1cn(C)c 2ccccc12; CNC(=O)c1cn(C)c2ccccc21 |
N,1-dimethyl-1H-indole-3-carboxamide |
| 32115 | LFP | 1 | C12 H11 Cl F N3 O | InChI=1S/C12H11ClFN3O/c1- 17-11(13)10(7-16-17)12(18 )15-6-8-2-4-9(14)5-3-8/h2 -5,7H,6H2,1H3,(H,15,18); HYVAEYATDXVPMU-UHFFFAOYSA-N |
Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl; Cn1ncc (C(=O)NCc2ccc(F)cc2)c1Cl; n2(c(c(C(NCc1c cc(cc1)F)=O)cn2)Cl)C |
5-chloro-N-[(4-fluorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
| 32116 | LFQ | 2 | C12 H12 N2 S | InChI=1S/C12H12N2S/c1-8-1 0(7-11(15-8)12(13)14)9-5- 3-2-4-6-9/h2-7H,1H3,(H3,1 3,14); HUQORXRDKCJHHJ-UHFFFAOYSA-N |
Cc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(/c1cc( c(s1)C)c2ccccc2)\N; Cc1c(cc(s1)C(=N)N)c2 ccccc2 |
5-methyl-4-phenyl-thiophene-2-carboximidamide |
| 32117 | LFR DB04173 |
3 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4-,5+,6 -/m0/s1; RFSUNEUAIZKAJO-AZGQCCRYSA-N |
OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)(CO) [CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O)O; OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O; C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O) O |
beta-L-fructofuranose; beta-L-fructose; L-fructose; fructose; BETA-L-FRUCTO-FURANOSE |
| 32118 | LFS CHEMBL3318310 ZINC000073387306 |
1 | C21 H22 F N3 O2 | InChI=1S/C21H22FN3O2/c1-1 5(2)16-5-9-19(10-6-16)24- 21(26)27-20(13-25-12-11-2 3-14-25)17-3-7-18(22)8-4- 17/h3-12,14-15,20H,13H2,1 -2H3,(H,24,26)/t20-/m1/s1; OMXCIRVMHPGVCD-HXUWFJFHSA-N |
CC(C)c1ccc(NC(=O)O[CH](Cn2ccnc2)c3ccc(F) cc3)cc1; CC(C)c1ccc(NC(=O)O[C@H](Cn2ccnc 2)c3ccc(F)cc3)cc1; CC(C)c1ccc(cc1)NC(=O) O[C@H](Cn2ccnc2)c3ccc(cc3)F; CC(C)c1ccc( cc1)NC(=O)OC(Cn2ccnc2)c3ccc(cc3)F; Fc1cc c(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3ccnc3 |
(1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 4-isopropylphenylcarbamate |
| 32119 | LFT CHEMBL2385091 ZINC000073199308 |
1 | C21 H22 Cl N3 O2 | InChI=1S/C21H22ClN3O2/c1- 15(2)16-5-9-19(10-6-16)24 -21(26)27-20(13-25-12-11- 23-14-25)17-3-7-18(22)8-4 -17/h3-12,14-15,20H,13H2, 1-2H3,(H,24,26)/t20-/m1/s 1; JBMGTRUHKILUNG-HXUWFJFHSA-N |
CC(C)c1ccc(cc1)NC(=O)O[C@H](Cn2ccnc2)c3c cc(cc3)Cl; CC(C)c1ccc(NC(=O)O[CH](Cn2ccn c2)c3ccc(Cl)cc3)cc1; CC(C)c1ccc(cc1)NC(= O)OC(Cn2ccnc2)c3ccc(cc3)Cl; CC(C)c1ccc(N C(=O)O[C@H](Cn2ccnc2)c3ccc(Cl)cc3)cc1; C lc1ccc(cc1)C(OC(=O)Nc2ccc(cc2)C(C)C)Cn3c cnc3 |
(1S)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl [4-(propan-2-yl)phenyl]carbamate |
| 32120 | LFU ZINC000013511460 |
1 | C5 H12 N2 O | InChI=1S/C5H12N2O/c1-5(8) 7-4-2-3-6/h2-4,6H2,1H3,(H ,7,8); YFZBPSXRYCOKCW-UHFFFAOYSA-N |
CC(=O)NCCCN | ~{N}-(3-azanylpropyl)ethanamide |
| 32121 | LFV CHEMBL4128885 |
2 | C28 H19 Cl2 F4 N5 O3 | InChI=1S/C28H19Cl2F4N5O3/ c29-18-5-7-20(22(30)11-18 )24(13-39-10-9-35-15-39)3 6-25(40)16-1-3-17(4-2-16) 26-37-38-27(42-26)21-8-6- 19(12-23(21)31)41-14-28(3 2,33)34/h1-12,15,24H,13-1 4H2,(H,36,40)/t24-/m0/s1; PFDAIZREODDAGQ-DEOSSOPVSA-N |
Fc1cc(OCC(F)(F)F)ccc1c2oc(nn2)c3ccc(cc3) C(=O)N[C@@H](Cn4ccnc4)c5ccc(Cl)cc5Cl; c1 cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C( =O)NC(Cn4ccnc4)c5ccc(cc5Cl)Cl; c5(ccc(c1 oc(nn1)c4ccc(C(=O)NC(c2ccc(Cl)cc2Cl)Cn3c cnc3)cc4)c(c5)F)OCC(F)(F)F; Fc1cc(OCC(F) (F)F)ccc1c2oc(nn2)c3ccc(cc3)C(=O)N[CH](C n4ccnc4)c5ccc(Cl)cc5Cl; c1cc(ccc1c2nnc(o 2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4 ccnc4)c5ccc(cc5Cl)Cl |
N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide |
| 32122 | LFW | 13 | C17 H11 I O4 | InChI=1S/C17H11IO4/c1-10- 5-6-15-11(7-10)8-14(17(20 )22-15)16(19)21-13-4-2-3- 12(18)9-13/h2-9H,1H3; OUKFXYLCMXELAC-UHFFFAOYSA-N |
Cc1ccc2c(c1)C=C(C(=O)O2)C(=O)Oc3cccc(c3) I; Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I) c3 |
(3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
| 32123 | LFX CHEMBL33 DB01137 ZINC000000538273 |
3 | C18 H20 F N3 O4 | InChI=1S/C18H20FN3O4/c1-1 0-9-26-17-14-11(16(23)12( 18(24)25)8-22(10)14)7-13( 19)15(17)21-5-3-20(2)4-6- 21/h7-8,10H,3-6,9H2,1-2H3 ,(H,24,25)/t10-/m0/s1; GSDSWSVVBLHKDQ-JTQLQIEISA-N |
C[CH]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=C N1c24)C(O)=O; C[C@H]1COc2c(N3CCN(C)CC3)c (F)cc4C(=O)C(=CN1c24)C(O)=O; CC1COc2c3c( cc(c2N4CCN(CC4)C)F)C(=O)C(=CN31)C(=O)O; O=C(O)C=1C(=O)c4c2N(C=1)C(COc2c(N3CCN(C) CC3)c(F)c4)C; C[C@H]1COc2c3c(cc(c2N4CCN( CC4)C)F)C(=O)C(=CN31)C(=O)O |
(3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; Levofloxacin |
| 32124 | LFY CHEMBL5027263 |
1 | C13 H14 F N3 O | InChI=1S/C13H14FN3O/c1-2- 17-8-12(16-9-17)13(18)15- 7-10-3-5-11(14)6-4-10/h3- 6,8-9H,2,7H2,1H3,(H,15,18 ); IQYMOCPZCUBALG-UHFFFAOYSA-N |
CCn1cc(nc1)C(=O)NCc2ccc(cc2)F; n2(cnc(C( NCc1ccc(F)cc1)=O)c2)CC; CCn1cnc(c1)C(=O) NCc2ccc(F)cc2 |
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-imidazole-4-carboxamide |
| 32125 | LFZ CHEMBL4451817 |
1 | C16 H10 F6 O2 | InChI=1S/C16H10F6O2/c17-1 5(18,19)12-6-11(7-13(8-12 )16(20,21)22)10-3-1-9(2-4 -10)5-14(23)24/h1-4,6-8H, 5H2,(H,23,24); QXUJSELRLOECDC-UHFFFAOYSA-N |
OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F )(F)F; c1cc(ccc1CC(=O)O)c2cc(cc(c2)C(F)( F)F)C(F)(F)F |
2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid |
| 32126 | LG CHEMBL1229579 |
0 | C10 H14 N5 O8 P | InChI=1/C10H14N5O8P/c11-1 0-13-7-4(8(18)14-10)12-2- 15(7)9-6(17)5(16)3(23-9)1 -22-24(19,20)21/h2-3,5-6, 9,16-17H,1H2,(H2,19,20,21 )(H3,11,13,14,18)/t3-,5-, 6-,9-/m0/s1/f/h14,19-20H, 11H2; RQFCJASXJCIDSX-XJTIDQAEDL |
c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)CO P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2 C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O) [CH]3O; NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@ H](CO[P](O)(O)=O)[C@H](O)[C@@H]3O; O=C1c 2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O ; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N= C(NC2=O)N |
L-GUANOSINE-5'-MONOPHOSPHATE |
| 32127 | LG0 CHEMBL461091 ZINC000024980026 |
1 | C28 H29 F3 N4 O2 | InChI=1S/C28H29F3N4O2/c1- 37-22-10-8-21(9-11-22)35- 24-23(25(32-35)28(29,30)3 1)12-17-34(26(24)36)20-6- 4-19(5-7-20)27(13-14-27)1 8-33-15-2-3-16-33/h4-11H, 2-3,12-18H2,1H3; VNHRSGCBTKUBAX-UHFFFAOYSA-N |
COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O )c4ccc(cc4)C5(CC5)CN6CCCC6; COc1ccc(cc1) n2nc(c3CCN(C(=O)c23)c4ccc(cc4)C5(CC5)CN6 CCCC6)C(F)(F)F; FC(F)(F)c6nn(c1ccc(OC)cc 1)c5C(=O)N(c2ccc(cc2)C3(CC3)CN4CCCC4)CCc 56 |
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one |
| 32128 | LG1 CHEMBL1181174 ZINC000001551456 |
0 | C22 H17 F2 N2 | InChI=1S/C22H17F2N2/c1-12 -8-16-15-10-13(23)4-6-18( 15)26(3)22-17-11-14(24)5- 7-19(17)25(2)20(9-12)21(1 6)22/h4-11H,1-3H3/q+1; FJUYVGXXNUNWDT-UHFFFAOYSA-N |
CN1c2ccc(F)cc2c3c4c1cc(C)cc4c5cc(F)ccc5[ n+]3C; Cc1cc2c3cc(ccc3[n+](c-4c2c(c1)N(c 5c4cc(cc5)F)C)C)F; Fc5cc4c2c1c(cc(cc1c3c ([n+]2C)ccc(F)c3)C)N(c4cc5)C |
3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM |
| 32129 | LG2 CHEMBL288436 DB01941 ZINC000003873121 |
8 | C24 H29 N O2 | InChI=1S/C24H29NO2/c1-15- 12-18-19(23(4,5)9-8-22(18 ,2)3)13-17(15)24(10-11-24 )20-7-6-16(14-25-20)21(26 )27/h6-7,12-14H,8-11H2,1- 5H3,(H,26,27); SLXTWXQUEZSSTJ-UHFFFAOYSA-N |
Cc1cc2c(cc1C3(CC3)c4ccc(cn4)C(=O)O)C(CCC 2(C)C)(C)C; Cc1cc2c(cc1C3(CC3)c4ccc(cn4) C(O)=O)C(C)(C)CCC2(C)C; O=C(O)c1cnc(cc1) C4(c2cc3c(cc2C)C(C)(C)CCC3(C)C)CC4 |
6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID |
| 32130 | LG3 CHEMBL1233987 ZINC000001661391 |
13 | C4 H6 N4 | InChI=1S/C4H6N4/c5-3-1-2- 7-4(6)8-3/h1-2H,(H4,5,6,7 ,8); YAAWASYJIRZXSZ-UHFFFAOYSA-N |
c1cnc(nc1N)N; n1c(N)ccnc1N; Nc1ccnc(N)n1 | PYRIMIDINE-2,4-DIAMINE |
| 32131 | LG4 CHEMBL61990 ZINC000000164623 |
3 | C6 H8 N2 | InChI=1S/C6H8N2/c1-5-2-3- 6(7)8-4-5/h2-4H,1H3,(H2,7 ,8); CMBSSVKZOPZBKW-UHFFFAOYSA-N |
Cc1ccc(N)nc1; Cc1ccc(nc1)N; n1cc(ccc1N)C | 5-METHYLPYRIDIN-2-AMINE; 2-AMINO-5-PICOLINE |
| 32132 | LG5 ZINC000103548388 |
2 | C6 H10 N2 | InChI=1S/C6H10N2/c1-8-4-2 -3-6(7)5-8/h2-3,5H,4,7H2, 1H3; NJIDBKRVRJXCLL-UHFFFAOYSA-N |
NC=1C=CCN(C=1)C; CN1CC=CC(=C1)N | 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE; 1-METHYL-1-LAMBDA-5-PYRIDIN-3-YL-AMINE |
| 32133 | LG6 DB01655 ZINC000002047359 |
4 | C6 H13 O10 P | InChI=1S/C6H13O10P/c7-2(1 -16-17(13,14)15)3(8)4(9)5 (10)6(11)12/h2-5,7-10H,1H 2,(H,11,12)(H2,13,14,15)/ t2-,3+,4-,5-/m0/s1; BIRSGZKFKXLSJQ-QTBDOELSSA-N |
C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O) O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C(O)C(O)C (O)C(=O)O; C(C(C(C(C(C(=O)O)O)O)O)O)OP(= O)(O)O; O[C@@H](CO[P](O)(O)=O)[C@@H](O)[ C@H](O)[C@H](O)C(O)=O; O[CH](CO[P](O)(O) =O)[CH](O)[CH](O)[CH](O)C(O)=O |
L-GULURONIC ACID 6-PHOSPHATE |
| 32134 | LG7 CHEMBL425646 DB08087 ZINC000014967191 |
1 | C17 H13 N3 O3 | InChI=1S/C17H13N3O3/c18-9 -10-5-6-13(12-4-2-1-3-11( 10)12)20-16(22)15-14(21)7 -8-19(15)17(20)23/h1-6,14 -15,21H,7-8H2/t14-,15+/m1 /s1; NHBIWLQQJPSMNP-CABCVRRESA-N |
O[C@@H]1CCN2[C@@H]1C(=O)N(C2=O)c3ccc(C#N )c4ccccc34; N#Cc1c4c(c(cc1)N2C(=O)C3N(C2 =O)CCC3O)cccc4; c1ccc2c(c1)c(ccc2N3C(=O) [C@@H]4[C@@H](CCN4C3=O)O)C#N; O[CH]1CCN2 [CH]1C(=O)N(C2=O)c3ccc(C#N)c4ccccc34; c1 ccc2c(c1)c(ccc2N3C(=O)C4C(CCN4C3=O)O)C#N |
4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE |
| 32135 | LG8 ZINC000103548401 |
2 | C28 H28 N4 O2 | InChI=1S/C28H27N4O2/c1-30 (2)15-17-12-13-32-22-11-7 -5-9-19(22)24(23(32)14-17 )26-25(27(33)29-28(26)34) 20-16-31(3)21-10-6-4-8-18 (20)21/h4-11,16-17H,12-15 H2,1-3H3/q+1/p+1/b25-20+, 26-24+/t17-/m1/s1; OYDDKWPGAIBVKO-JQQWWDHGSA-O |
C[N+]1=CC(=C2C(=C3c4ccccc4[N+]5=C3C[C@@H ](CC5)CN(C)C)C(=O)NC2=O)c6c1cccc6; O=C3C (=C1\C=[N+](c2ccccc12)C)C(\C(=O)N3)=C5\c 4ccccc4[N+]6=C5CC(CN(C)C)CC6; C[N+]1=CC( =C2C(=C3c4ccccc4[N+]5=C3CC(CC5)CN(C)C)C( =O)NC2=O)c6c1cccc6; CN(C)C[CH]1CC[N+]2=C (C1)C(c3ccccc23)=C4C(=O)NC(=O)C4=C5C=[N+ ](C)c6ccccc56; CN(C)C[C@@H]1CC[N+]2=C(C1 )\C(c3ccccc23)=C/4C(=O)NC(=O)C/4=C5/C=[N +](C)c6ccccc56 |
3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE |
| 32136 | LG9 ZINC000058649776 |
4 | C9 H17 N O5 | InChI=1S/C9H17NO5/c11-2-4 -6(13)1-10-5(3-12)8(14)9( 15)7(4)10/h4-9,11-15H,1-3 H2/t4-,5-,6+,7-,8-,9-/m1/ s1; WQQQECZSNNTNJJ-FJYMVOSHSA-N |
OC[CH]1[CH](O)CN2[CH](CO)[CH](O)[CH](O)[ CH]12; C1C(C(C2N1C(C(C2O)O)CO)CO)O; C1[C @@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@ H]2O)O)CO)CO)O; OC2C(C1N(C(C(O)C1O)CO)C2 )CO; OC[C@@H]1[C@@H](O)CN2[C@H](CO)[C@@H ](O)[C@H](O)[C@@H]12 |
(1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL; CASUARINE ANALOGUE |
| 32137 | LGA CHEMBL88580 ZINC000000967472 |
14 | C4 H5 N3 | InChI=1S/C4H5N3/c5-4-6-2- 1-3-7-4/h1-3H,(H2,5,6,7); LJXQPZWIHJMPQQ-UHFFFAOYSA-N |
Nc1ncccn1; n1cccnc1N; c1cnc(nc1)N | PYRIMIDIN-2-AMINE |
| 32138 | LGB CHEMBL484726 DB08088 ZINC000013982536 |
1 | C15 H13 Cl F3 N3 O2 | InChI=1S/C15H13ClF3N3O2/c 1-7-9(3-2-8(6-20)11(7)16) 21-14-22-5-4-10(23)12(22) 13(24-14)15(17,18)19/h2-3 ,10,12-13,23H,4-5H2,1H3/b 21-14-/t10-,12-,13+/m0/s1; KALFKWQLCWAXJO-RNSKTZJQSA-N |
Cc1c(ccc(c1Cl)C#N)N=C2N3CCC(C3C(O2)C(F)( F)F)O; Cc1c(Cl)c(ccc1N=C2O[CH]([CH]3[CH] (O)CCN23)C(F)(F)F)C#N; Cc1c(Cl)c(ccc1N=C 2O[C@H]([C@@H]3[C@@H](O)CCN23)C(F)(F)F)C #N; N#Cc3ccc(/N=C1\OC(C(F)(F)F)C2N1CCC2O )c(c3Cl)C; Cc1c(ccc(c1Cl)C#N)/N=C\2/N3CC [C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O |
2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile; 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM |
| 32139 | LGC CHEMBL1200829 DB04564 ZINC000002539702 |
26 | C6 H10 O6 | InChI=1S/C6H10O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 5,7-10H,1H2/t2-,3-,4+,5-/ m1/s1; PHOQVHQSTUBQQK-SQOUGZDYSA-N |
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O) O)O; OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@ H]1O; OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O; O=C1OC(CO)C(O)C(O)C1O; C(C1C(C(C(C(=O)O 1)O)O)O)O |
D-glucono-1,5-lactone; (3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE; GLUCONOLACTONE |
| 32140 | LGD CHEMBL436784 DB08089 ZINC000014968232 |
1 | C14 H9 F9 N2 O | InChI=1S/C14H9F9N2O/c15-1 2(16,17)5-25(6-13(18,19)2 0)7-1-2-10-8(3-7)9(14(21, 22)23)4-11(26)24-10/h1-4H ,5-6H2,(H,24,26); ULBPQWIGZUGPHU-UHFFFAOYSA-N |
c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O )N2)C(F)(F)F; FC(F)(F)CN(CC(F)(F)F)c1ccc 2NC(=O)C=C(c2c1)C(F)(F)F; FC(F)(F)CN(c2c cc1c(C(=CC(=O)N1)C(F)(F)F)c2)CC(F)(F)F |
6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-ONE; 1,2-DIHYDRO-6-N,N-BIS(2,2,2-TRIFLUOROETHYL)AMINO-4-TRIFLUOROMETHYL-2-QUINOLINONE |
| 32141 | LGE CHEMBL1910111 ZINC000034804610 |
2 | C18 H17 Cl2 N3 O3 | InChI=1S/C18H17Cl2N3O3/c1 -9-12(6-21)16(11-4-3-10(1 9)5-14(11)20)13-7-23(8-15 (24)26-2)18(25)17(13)22-9 /h3-5H,6-8,21H2,1-2H3; ZPJLWUGRTVIDEI-UHFFFAOYSA-N |
Cc1c(c(c2c(n1)C(=O)N(C2)CC(=O)OC)c3ccc(c c3Cl)Cl)CN; COC(=O)CN1Cc2c(nc(C)c(CN)c2c 3ccc(Cl)cc3Cl)C1=O; Clc3ccc(c1c(c(nc2C(= O)N(Cc12)CC(=O)OC)C)CN)c(Cl)c3 |
methyl [3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]acetate |
| 32142 | LGF ZINC000016052434 |
1 | C27 H24 F2 N6 O5 | InChI=1S/C27H24F2N6O5/c1- 40-25-19(9-18-20(11-30-23 (18)32-25)22(37)27(39)33- 5-4-16(36)13-33)26(38)34- 6-7-35-15(12-34)10-31-24( 35)17-3-2-14(28)8-21(17)2 9/h2-3,8-11,16,36H,4-7,12 -13H2,1H3,(H,30,32)/t16-/ m1/s1; GRRHHDRNCLEFSY-MRXNPFEDSA-N |
COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H] (C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4; COc1nc2[nH]cc(C(=O)C(=O)N3CC[C@@H](O)C3) c2cc1C(=O)N4CCn5c(C4)cnc5c6ccc(F)cc6F; C Oc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CCC(C3)O )C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4; COc1n c2[nH]cc(C(=O)C(=O)N3CC[CH](O)C3)c2cc1C( =O)N4CCn5c(C4)cnc5c6ccc(F)cc6F |
1-[5-[[3-[2,4-bis(fluoranyl)phenyl]-6,8-dihydro-5~{H}-imidazo[1,5-a]pyrazin-7-yl]carbonyl]-6-methoxy-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethane-1,2-dione; 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM |
| 32143 | LGG ZINC000024903829 |
2 | C34 H51 N7 O11 | InChI=1S/C34H51N7O11/c1-1 9(2)17-25(33(51)38-22(9-1 3-27(35)43)10-15-29(45)46 )40-32(50)24(11-14-28(36) 44)39-34(52)26(18-21-7-5- 4-6-8-21)41-31(49)23(37-2 0(3)42)12-16-30(47)48/h4- 8,19,22-26H,9-18H2,1-3H3, (H2,35,43)(H2,36,44)(H,37 ,42)(H,38,51)(H,39,52)(H, 40,50)(H,41,49)(H,45,46)( H,47,48)/t22-,23-,24-,25- ,26-/m0/s1; IDWPNCOZKNRFJZ-LROMGURASA-N |
CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)CCC(= O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc1 ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)C; CC( C)C[CH](NC(=O)[CH](CCC(N)=O)NC(=O)[CH](C c1ccccc1)NC(=O)[CH](CCC(O)=O)NC(C)=O)C(= O)N[CH](CCC(N)=O)CCC(O)=O; CC(C)CC(C(=O) NC(CCC(=O)N)CCC(=O)O)NC(=O)C(CCC(=O)N)NC (=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C ; CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O )[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC (C)=O)C(=O)N[C@@H](CCC(N)=O)CCC(O)=O; O= C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C( NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C )C)CCC(=O)O |
N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE |
| 32144 | LGH ZINC000098209110 |
4 | C22 H21 Cl N4 O5 | InChI=1S/C22H21ClN4O5/c1- 14-20(21(24-32-14)16-5-3- 4-6-19(16)31-2)22(28)26-1 1-9-25(10-12-26)18-8-7-15 (27(29)30)13-17(18)23/h3- 8,13H,9-12H2,1-2H3; OQYUKAFYGKRXTK-UHFFFAOYSA-N |
Cc1c(c(no1)c2ccccc2OC)C(=O)N3CCN(CC3)c4c cc(cc4Cl)[N+](=O)[O-]; [O-][N+](=O)c1ccc (c(Cl)c1)N4CCN(C(=O)c3c(onc3c2c(OC)cccc2 )C)CC4; COc1ccccc1c2noc(C)c2C(=O)N3CCN(C C3)c4ccc(cc4Cl)[N+]([O-])=O |
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl][3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone |
| 32145 | LGJ CHEMBL591955 ZINC000001551487 |
1 | C26 H18 F4 N6 O4 S | InChI=1S/C26H18F4N6O4S/c1 -41(39,40)21-8-3-2-7-17(2 1)14-9-10-19(18(27)12-14) 31-24(37)20-13-22(26(28,2 9)30)35-36(20)16-6-4-5-15 (11-16)23-32-25(38)34-33- 23/h2-13H,1H3,(H,31,37)(H 2,32,33,34,38); YIHPFOJBRPDMES-UHFFFAOYSA-N |
CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3c c(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F; C[ S](=O)(=O)c1ccccc1c2ccc(NC(=O)c3cc(nn3c4 cccc(c4)C5=NNC(=O)N5)C(F)(F)F)c(F)c2 |
N-(3-FLUORO-2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE |
| 32146 | LGK CHEMBL578474 ZINC000001494451 |
1 | C28 H21 F3 N6 O4 S | InChI=1S/C28H21F3N6O4S/c1 -42(40,41)22-8-3-2-7-20(2 2)16-9-11-18(12-10-16)36- 14-13-21-23(26(36)38)37(3 5-24(21)28(29,30)31)19-6- 4-5-17(15-19)25-32-27(39) 34-33-25/h2-12,15H,13-14H 2,1H3,(H2,32,33,34,39); LOIQROHBNJYIKB-UHFFFAOYSA-N |
C[S](=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n( nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O; CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(n c4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O |
6-(2'-(METHYLSULFONYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE |
| 32147 | LGL CHEMBL578098 ZINC000001494449 |
1 | C32 H28 F3 N7 O2 | InChI=1S/C32H28F3N7O2/c33 -32(34,35)28-26-14-17-41( 23-12-10-20(11-13-23)25-9 -2-1-6-22(25)19-40-15-3-4 -16-40)30(43)27(26)42(39- 28)24-8-5-7-21(18-24)29-3 6-31(44)38-37-29/h1-2,5-1 3,18H,3-4,14-17,19H2,(H2, 36,37,38,44); QNPOXJFBWDKXGC-UHFFFAOYSA-N |
c1ccc(c(c1)CN2CCCC2)c3ccc(cc3)N4CCc5c(n( nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O; FC(F)(F)c1nn(c2cccc(c2)C3=NNC(=O)N3)c4C (=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7 |
1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE |
| 32148 | LGM CHEMBL578906 ZINC000049710357 |
1 | C32 H31 N7 O2 | InChI=1S/C32H31N7O2/c1-21 -27-15-18-38(25-13-11-22( 12-14-25)28-10-3-2-7-24(2 8)20-37-16-4-5-17-37)31(4 0)29(27)39(36-21)26-9-6-8 -23(19-26)30-33-32(41)35- 34-30/h2-3,6-14,19H,4-5,1 5-18,20H2,1H3,(H2,33,34,3 5,41); DBOPERRYUICVTA-UHFFFAOYSA-N |
Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O) N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7; Cc1nn( c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5 ccc(cc5)c6ccccc6CN7CCCC7 |
3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE |
| 32149 | LGN CHEMBL413472 |
4 | C62 H117 N O18 | InChI=1S/C62H117NO18/c1-3 -5-7-9-11-13-15-17-18-19- 20-21-22-23-24-25-26-28-3 0-32-34-36-38-40-50(68)63 -45(46(67)39-37-35-33-31- 29-27-16-14-12-10-8-6-4-2 )44-76-60-56(74)54(72)58( 49(43-66)79-60)80-62-57(7 5)59(52(70)48(42-65)78-62 )81-61-55(73)53(71)51(69) 47(41-64)77-61/h37,39,45- 49,51-62,64-67,69-75H,3-3 6,38,40-44H2,1-2H3,(H,63, 68)/b39-37+/t45-,46+,47+, 48+,49+,51-,52-,53-,54+,5 5+,56+,57+,58+,59-,60+,61 +,62-/m0/s1; JMENXJYBCQFIRK-KRJDXUSZSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO [C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C O)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O )[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O )[C@H](O)\C=C\CCCCCCCCCCCCC; O=C(NC(COC3 OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O )C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)C CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCC CCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[C H](O[CH]2O[CH](CO)[CH](O)[CH](O[CH]3O[CH ](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O) [CH]1O)[CH](O)C=CCCCCCCCCCCCCC; CCCCCCCC CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1) CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O )O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O; CCCCCCC CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[ C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C @@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[ C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O) O)[C@@H](/C=C/CCCCCCCCCCCCC)O |
N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide; Isoglobotrihexosylceramide |
| 32150 | LGO | 1 | C22 H20 N6 O5 S2 | InChI=1S/C22H20N6O5S2/c23 -34(30,31)18-10-6-16(7-11 -18)26-22(29)27-20-14-25- 28(21(20)15-4-2-1-3-5-15) 17-8-12-19(13-9-17)35(24, 32)33/h1-14H,(H2,23,30,31 )(H2,24,32,33)(H2,26,27,2 9); ZOOBJKVJHXVCFM-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(NC(=O)Nc2cnn(c3ccc(cc3 )[S](N)(=O)=O)c2c4ccccc4)cc1; c1ccc(cc1) c2c(cnn2c3ccc(cc3)S(=O)(=O)N)NC(=O)Nc4cc c(cc4)S(=O)(=O)N; NS(=O)(=O)c1ccc(cc1)NC (=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1cccc c1 |
4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide |
| 32151 | LGP | 4 | C9 H14 N5 O7 P | InChI=1S/C9H14N5O7P/c10-9 -12-7-6(8(16)13-9)11-3-14 (7)4-20-5(1-15)2-21-22(17 ,18)19/h3,5,15H,1-2,4H2,( H2,17,18,19)(H3,10,12,13, 16)/t5-/m0/s1; LSJIZCGOXSEZNF-YFKPBYRVSA-N |
NC1=Nc2n(CO[C@@H](CO)CO[P](O)(O)=O)cnc2C (=O)N1; c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O )N=C(NC2=O)N; c1nc2c(n1COC(CO)COP(=O)(O) O)N=C(NC2=O)N; NC1=Nc2n(CO[CH](CO)CO[P]( O)(O)=O)cnc2C(=O)N1; O=P(O)(O)OCC(OCn1c2 N=C(NC(=O)c2nc1)N)CO |
N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE; LINEAR DECARBON-C2* GUANOSINE-5'-MONOPHOSPHATE |
| 32152 | LGQ CHEMBL4469987 |
1 | C18 H13 F3 N6 | InChI=1S/C18H13F3N6/c19-1 8(20,21)11-6-8-12(9-7-11) 23-16-13-14(22)24-15(25-1 7(13)27-26-16)10-4-2-1-3- 5-10/h1-9H,(H4,22,23,24,2 5,26,27); HYUDDHSPJFCULQ-UHFFFAOYSA-N |
Nc1nc(nc2[nH]nc(Nc3ccc(cc3)C(F)(F)F)c12) c4ccccc4; c1ccc(cc1)c2nc(c3c(n2)[nH]nc3N c4ccc(cc4)C(F)(F)F)N |
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine |
| 32153 | LGR ZINC000000294875 |
1 | C10 H11 N O3 | InChI=1S/C10H11NO3/c1-7(1 2)11(2)9-6-4-3-5-8(9)10(1 3)14/h3-6H,1-2H3,(H,13,14 ); VCOQVAJFXPHUAM-UHFFFAOYSA-N |
CN(C(C)=O)c1ccccc1C(O)=O; CC(=O)N(C)c1cc ccc1C(=O)O; CN(C(C)=O)c1ccccc1C(=O)O |
2-[acetyl(methyl)amino]benzoic acid |
| 32154 | LGS DB08090 ZINC000053683362 |
6 | C15 H28 N2 O5 | InChI=1S/C15H28N2O5/c1-2- 3-4-5-6-7-8-16-15-17-10(9 -22-15)11(18)12(19)13(20) 14(17)21/h10-14,18-21H,2- 9H2,1H3/b16-15-/t10-,11-, 12+,13-,14+/m1/s1; QJILQIWQVOAQBB-KRIYVDMXSA-N |
CCCCCCCC/N=C\1/N2[C@H](CO1)[C@H]([C@@H]( [C@H]([C@@H]2O)O)O)O; N(=C1\OCC2N1C(O)C( O)C(O)C2O)\CCCCCCCC; CCCCCCCCN=C1OC[CH]2 [CH](O)[CH](O)[CH](O)[CH](O)N12; CCCCCCC CN=C1OC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O) [C@H](O)N12; CCCCCCCCN=C1N2C(CO1)C(C(C(C 2O)O)O)O |
(3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol |
| 32155 | LGT ZINC000013533920 |
7 | C6 H10 O8 | InChI=1S/C6H10O8/c7-1(3(9 )5(11)12)2(8)4(10)6(13)14 /h1-4,7-10H,(H,11,12)(H,1 3,14)/t1-,2-,3-,4+/m1/s1; DSLZVSRJTYRBFB-AJSXGEPRSA-N |
C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O; O=C(O)C( O)C(O)C(O)C(O)C(=O)O; O[C@H]([C@@H](O)[C @@H](O)C(O)=O)[C@H](O)C(O)=O; O[CH]([CH] (O)[CH](O)C(O)=O)[CH](O)C(O)=O; [C@@H]([ C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O |
L-GLUCARIC ACID |
| 32156 | LGU ZINC000004097166 |
88 | C6 H10 O7 | InChI=1S/C6H10O7/c7-1-2(8 )4(5(10)11)13-6(12)3(1)9/ h1-4,6-9,12H,(H,10,11)/t1 -,2-,3-,4+,6+/m0/s1; AEMOLEFTQBMNLQ-AZLKCVHYSA-N |
C1(C(C(OC(C1O)O)C(=O)O)O)O; O[CH]1O[CH]( [CH](O)[CH](O)[CH]1O)C(O)=O; [C@@H]1([C@ @H]([C@@H](O[C@H]([C@H]1O)O)C(=O)O)O)O; O=C(O)C1OC(O)C(O)C(O)C1O; O[C@@H]1O[C@H] ([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O |
alpha-L-gulopyranuronic acid; alpha-L-guluronic acid; L-guluronic acid; guluronic acid; ALPHA-L-GULURONATE |
| 32157 | LGV CHEMBL1222855 ZINC000058591398 |
1 | C19 H17 F N8 O | InChI=1S/C19H17FN8O/c20-1 5-6-5-12(9-21-15)19(29)22 -10-17-24-18(14-2-1-7-28( 14)27-17)23-16-8-13(25-26 -16)11-3-4-11/h1-2,5-9,11 H,3-4,10H2,(H,22,29)(H2,2 3,24,25,26,27); FQECDJFBKXFTIW-UHFFFAOYSA-N |
Fc1ncc(cc1)C(=O)NCc3nn2c(ccc2)c(n3)Nc4cc (nn4)C5CC5; c1cc2c(nc(nn2c1)CNC(=O)c3ccc (nc3)F)Nc4cc(n[nH]4)C5CC5; Fc1ccc(cn1)C( =O)NCc2nn3cccc3c(Nc4[nH]nc(c4)C5CC5)n2 |
N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide |
| 32158 | LGW CHEMBL1222710 ZINC000043200503 |
1 | C22 H21 F N8 O | InChI=1S/C22H21FN8O/c23-1 8-8-7-14(12-24-18)22(32)3 0-9-1-3-16(30)21-26-20(17 -4-2-10-31(17)29-21)25-19 -11-15(27-28-19)13-5-6-13 /h2,4,7-8,10-13,16H,1,3,5 -6,9H2,(H2,25,26,27,28,29 )/t16-/m0/s1; XXGADWBTSMHVDF-INIZCTEOSA-N |
Fc1ccc(cn1)C(=O)N2CCC[C@H]2c3nn4cccc4c(N c5cc([nH]n5)C6CC6)n3; Fc1ccc(cn1)C(=O)N2 CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n 3; Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc(c2 )C3CC3)c5cccn5n4; c1cc2c(nc(nn2c1)C3CCCN 3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6; c1 cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4 )F)Nc5cc([nH]n5)C6CC6 |
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2S)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| 32159 | LGX CHEMBL1222711 ZINC000058592424 |
1 | C22 H21 F N8 O | InChI=1S/C22H21FN8O/c23-1 8-8-7-14(12-24-18)22(32)3 0-9-1-3-16(30)21-26-20(17 -4-2-10-31(17)29-21)25-19 -11-15(27-28-19)13-5-6-13 /h2,4,7-8,10-13,16H,1,3,5 -6,9H2,(H2,25,26,27,28,29 )/t16-/m1/s1; XXGADWBTSMHVDF-MRXNPFEDSA-N |
c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc 4)F)Nc5cc([nH]n5)C6CC6; Fc1ccc(cn1)C(=O) N2CCC[CH]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6 )n3; Fc1ncc(cc1)C(=O)N6CCCC6c4nc(Nc2nnc( c2)C3CC3)c5cccn5n4; Fc1ccc(cn1)C(=O)N2CC C[C@@H]2c3nn4cccc4c(Nc5cc([nH]n5)C6CC6)n 3; c1cc2c(nc(nn2c1)C3CCCN3C(=O)c4ccc(nc4 )F)Nc5cc([nH]n5)C6CC6 |
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-{(2R)-1-[(6-fluoropyridin-3-yl)carbonyl]pyrrolidin-2-yl}pyrrolo[2,1-f][1,2,4]triazin-4-amine |
| 32160 | LGY ZINC000098209111 |
0 | C10 H18 N2 O3 | InChI=1S/C10H18N2O3/c11-9 (10(14)15)5-1-2-6-12-7-3- 4-8-13/h7-9H,1-6,11H2,(H, 14,15)/b12-7+/t9-/m0/s1; QHNKFGZIDRMVOP-SZUMLMDFSA-N |
C(CC/N=C/CCC=O)C[C@@H](C(=O)O)N; O=C(O)C (N)CCCC/N=C/CCC=O; N[CH](CCCCN=CCCC=O)C( O)=O; N[C@@H](CCCCN=CCCC=O)C(O)=O; C(CCN =CCCC=O)CC(C(=O)O)N |
(E)-N~6~-(4-oxobutylidene)-L-lysine |
| 32161 | LGZ ZINC000103548459 |
2 | C36 H39 N3 O7 | InChI=1S/C36H39N3O7/c37-3 4(42)46-31-18-25-13-7-8-1 4-27(25)32(31)28-21-38-36 (33(28)41,19-24-11-5-2-6- 12-24)20-30(40)29(17-23-9 -3-1-4-10-23)39-35(43)45- 26-15-16-44-22-26/h1-14,2 1,26,29-32,38,40H,15-20,2 2H2,(H2,37,42)(H,39,43)/t 26-,29+,30+,31-,32-,36+/m 1/s1; LIIUTXFOEDWJEK-HQJNJJHVSA-N |
c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=C N2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc 5)O)NC(=O)OC6CCOC6; NC(=O)O[CH]1Cc2ccccc 2[CH]1C3=CN[C](C[CH](O)[CH](Cc4ccccc4)NC (=O)O[CH]5CCOC5)(Cc6ccccc6)C3=O; NC(=O)O [C@@H]1Cc2ccccc2[C@@H]1C3=CN[C@](C[C@H]( O)[C@H](Cc4ccccc4)NC(=O)O[C@@H]5CCOC5)(C c6ccccc6)C3=O; O=C(OC1CCOC1)NC(Cc2ccccc2 )C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O) N)Cc6ccccc6; c1ccc(cc1)CC(C(CC2(C(=O)C(= CN2)C3c4ccccc4CC3OC(=O)N)Cc5ccccc5)O)NC( =O)OC6CCOC6 |
CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER; LGZ479 INHIBITOR |
| 32162 | LH0 CHEMBL2141887 ZINC000072232826 |
5 | C17 H14 Cl2 F2 N4 O S | InChI=1S/C17H14Cl2F2N4OS/ c1-8(2)16(26)23-17-22-7-1 3(27-17)12-6-11(15(20)21) 24-25(12)14-9(18)4-3-5-10 (14)19/h3-8,15H,1-2H3,(H, 22,23,26); IVUGBSGLHRJSSP-UHFFFAOYSA-N |
CC(C)C(=O)Nc1sc(cn1)c2cc(nn2c3c(Cl)cccc3 Cl)C(F)F; CC(C)C(=O)Nc1ncc(s1)c2cc(nn2c3 c(cccc3Cl)Cl)C(F)F |
~{N}-[5-[2-[2,6-bis(chloranyl)phenyl]-5-[bis(fluoranyl)methyl]pyrazol-3-yl]-1,3-thiazol-2-yl]-2-methyl-propanamide |
| 32163 | LH2 | 2 | C16 H18 B N3 O2 | InChI=1S/C16H18BN3O2/c18- 16(19)11-5-7-13(8-6-11)20 -10-14-9-12-3-1-2-4-15(12 )17(21)22-14/h1-8,14,20-2 1H,9-10H2,(H3,18,19)/t14- /m0/s1; GGBMYYYFHLXGRH-AWEZNQCLSA-N |
[H]/N=C(\c1ccc(cc1)NC[C@@H]2Cc3ccccc3B(O 2)O)/N; B1(c2ccccc2CC(O1)CNc3ccc(cc3)C(= N)N)O; NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O 2)cc1; NC(=N)c1ccc(NC[C@@H]2Cc3ccccc3B(O )O2)cc1 |
4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide |
| 32164 | LH3 ZINC000098209113 |
1 | C32 H34 N4 O6 S | InChI=1S/C32H34N4O6S/c1-4 1-30(38)21-14-10-19(11-15 -21)23-6-5-7-24(20-12-16- 22(17-13-20)31(39)42-2)28 (23)36-35-27(37)9-4-3-8-2 6-29-25(18-43-26)33-32(40 )34-29/h5-7,10-17,25-26,2 9,36H,3-4,8-9,18H2,1-2H3, (H,35,37)(H2,33,34,40)/t2 5-,26-,29-/m0/s1; LVYKNIDQFONGOK-ZEZDXWPOSA-N |
COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[CH ]3SC[CH]4NC(=O)N[CH]34)c5ccc(cc5)C(=O)OC ; COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[ C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c5ccc(cc5) C(=O)OC; O=C1NC2C(SCC2N1)CCCCC(=O)NNc5c( c3ccc(C(=O)OC)cc3)cccc5c4ccc(C(=O)OC)cc4 ; COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[ C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5 )C(=O)OC; COC(=O)c1ccc(cc1)c2cccc(c2NNC( =O)CCCCC3C4C(CS3)NC(=O)N4)c5ccc(cc5)C(=O )OC |
methyl 4-(2-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H- thieno[3,4-d]imidazolidin-4-yl]pentanehydrazido}-3- [4-(methoxycarbonyl)phenyl]phenyl)benzoate |
| 32165 | LH4 ZINC000098209114 |
6 | C36 H44 N6 O8 S3 | InChI=1S/C36H44N6O8S3/c43 -33(7-2-1-6-32-35-31(24-5 1-32)37-36(44)38-35)39-40 -34-29(25-8-12-27(13-9-25 )52(45,46)41-16-20-49-21- 17-41)4-3-5-30(34)26-10-1 4-28(15-11-26)53(47,48)42 -18-22-50-23-19-42/h3-5,8 -15,31-32,35,40H,1-2,6-7, 16-24H2,(H,39,43)(H2,37,3 8,44)/t31-,32-,35-/m0/s1; VJIGZSIHTAESLS-QVXXBSHFSA-N |
O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NNc3c( cccc3c4ccc(cc4)[S](=O)(=O)N5CCOCC5)c6ccc (cc6)[S](=O)(=O)N7CCOCC7; c1cc(c(c(c1)c2 ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@ H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S (=O)(=O)N7CCOCC7; c1cc(c(c(c1)c2ccc(cc2) S(=O)(=O)N3CCOCC3)NNC(=O)CCCCC4C5C(CS4)N C(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7; O=C (CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNc3 c(cccc3c4ccc(cc4)[S](=O)(=O)N5CCOCC5)c6c cc(cc6)[S](=O)(=O)N7CCOCC7; O=C1NC2C(SCC 2N1)CCCCC(=O)NNc7c(c3ccc(cc3)S(=O)(=O)N4 CCOCC4)cccc7c5ccc(cc5)S(=O)(=O)N6CCOCC6 |
5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N'-{2,6-bis[4-(morpholine-4- sulfonyl)phenyl]phenyl}pentanehydrazide |
| 32166 | LH5 | 3 | C21 H20 B N3 O3 | InChI=1S/C21H20BN3O3/c23- 21(24)17-8-7-16(11-20(17) 27-13-14-4-3-9-25-12-14)1 9-10-15-5-1-2-6-18(15)22( 26)28-19/h1-9,11-12,19,26 H,10,13H2,(H3,23,24)/t19- /m0/s1; YENXZRUMZHNJKP-IBGZPJMESA-N |
NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4 B(O)O3; [H]/N=C(/c1ccc(cc1OCc2cccnc2)[C@ @H]3Cc4ccccc4B(O3)O)\N; NC(=N)c1ccc(cc1O Cc2cccnc2)[C@@H]3Cc4ccccc4B(O)O3; B1(c2c cccc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N) O |
4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
| 32167 | LH6 | 2 | C17 H20 N2 O2 | InChI=1S/C17H20N2O2/c1-11 (2)7-8-12-5-4-6-14-16(12) 13(10-19-14)9-15(18-3)17( 20)21/h4-8,10,15,18-19H,1 ,9H2,2-3H3,(H,20,21)/b8-7 +/t15-/m0/s1; SSFGPAKLEHOKFT-KIUWMYQTSA-N |
CC(=C)/C=C/c1cccc2c1c(c[nH]2)C[C@@H](C(= O)O)NC; CN[CH](Cc1c[nH]c2cccc(C=CC(C)=C) c12)C(O)=O; CC(=C)C=Cc1cccc2c1c(c[nH]2)C C(C(=O)O)NC; CN[C@@H](Cc1c[nH]c2cccc(/C= C/C(C)=C)c12)C(O)=O |
(2~{S})-2-(methylamino)-3-[4-[(1~{E})-3-methylbuta-1,3-dienyl]-1~{H}-indol-3-yl]propanoic acid |
| 32168 | LH7 CHEMBL4906424 |
1 | C16 H18 F N3 O3 S | InChI=1S/C16H18FN3O3S/c1- 11-15(9-19-20(11)14-6-7-2 4(22,23)10-14)16(21)18-8- 12-2-4-13(17)5-3-12/h2-5, 9,14H,6-8,10H2,1H3,(H,18, 21)/t14-/m0/s1; CCMSFWYJLMKKKU-AWEZNQCLSA-N |
Cc1c(cnn1C2CCS(=O)(=O)C2)C(=O)NCc3ccc(cc 3)F; Cc1n(ncc1C(=O)NCc2ccc(F)cc2)[C@H]3C C[S](=O)(=O)C3; Cc1c(cnn1[C@H]2CCS(=O)(= O)C2)C(=O)NCc3ccc(cc3)F; Cc1n(ncc1C(=O)N Cc2ccc(F)cc2)[CH]3CC[S](=O)(=O)C3; n2n(C 1CCS(C1)(=O)=O)c(C)c(c2)C(NCc3ccc(cc3)F) =O |
1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide |
| 32169 | LH8 | 1 | C15 H15 B N2 O2 | InChI=1S/C15H15BN2O2/c17- 15(18)11-7-5-10(6-8-11)14 -9-12-3-1-2-4-13(12)16(19 )20-14/h1-8,14,19H,9H2,(H 3,17,18)/t14-/m0/s1; CSHJPLOWTAYIGQ-AWEZNQCLSA-N |
[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2) O)\N; B1(c2ccccc2CC(O1)c3ccc(cc3)C(=N)N) O; NC(=N)c1ccc(cc1)[CH]2Cc3ccccc3B(O)O2; NC(=N)c1ccc(cc1)[C@@H]2Cc3ccccc3B(O)O2 |
4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]benzenecarboximidamide |
| 32170 | LH9 | 16 | C20 H38 O4 | InChI=1S/C20H38O4/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-20(23)24-18-19(22 )17-21/h8-9,19,21-22H,2-7 ,10-18H2,1H3/t19-/m0/s1; NXAQGVNJNZDCNZ-IBGZPJMESA-N |
CCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO; CCCCC CC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO; CCCCCC CC=CCCCCCCCC(=O)OCC(CO)O; CCCCCCCC=CCCCC CCCC(=O)OC[C@H](CO)O |
[(2~{S})-2,3-bis(oxidanyl)propyl] heptadec-9-enoate |
| 32171 | LHA ZINC000263620646 |
0 | C37 H65 N7 O16 | InChI=1S/C37H65N7O16/c38- 8-6-19(47)34(53)44-18-12- 17(40)30(58-36-24(42)29(5 2)27(50)21(14-45)56-36)32 (25(18)48)60-37-33(54-11- 10-43-9-7-16-4-2-1-3-5-16 )31(22(15-46)57-37)59-35- 23(41)28(51)26(49)20(13-3 9)55-35/h1-5,17-33,35-37, 43,45-52H,6-15,38-42H2,(H ,44,53)/t17-,18+,19-,20-, 21+,22+,23+,24+,25-,26+,2 7+,28+,29+,30+,31+,32+,33 +,35+,36+,37-/m0/s1; KITFYJSEQIOMTC-AFTVZRPJSA-N |
c1ccc(cc1)CCNCCO[C@@H]2[C@@H]([C@H](O[C@ H]2O[C@@H]3[C@H]([C@@H](C[C@@H]([C@H]3O[ C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O) O)N)N)NC(=O)[C@H](CCN)O)O)CO)O[C@@H]5[C@ @H]([C@H]([C@@H]([C@@H](O5)CN)O)O)N; NCC [CH](O)C(=O)N[CH]1C[CH](N)[CH](O[CH]2O[C H](CO)[CH](O)[CH](O)[CH]2N)[CH](O[CH]3O[ CH](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O )[CH]4N)[CH]3OCCNCCc5ccccc5)[CH]1O; NCC[ C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@ H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C @H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@ @H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3OC CNCCc5ccccc5)[C@H]1O; c1ccc(cc1)CCNCCOC2 C(C(OC2OC3C(C(CC(C3OC4C(C(C(C(O4)CO)O)O) N)N)NC(=O)C(CCN)O)O)CO)OC5C(C(C(C(O5)CN) O)O)N; O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O )C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO) C(O)C(O)C4N)C(N)C5)C(O)CCN |
DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162; (2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO XY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA NAMIDE |
| 32172 | LHB | 4 | C17 H23 N9 O5 | InChI=1S/C17H23N9O5/c1-30 -7-25-4-8(13(18)24-17(25) 29)2-20-3-9-11(27)12(28)1 6(31-9)26-6-23-10-14(19)2 1-5-22-15(10)26/h4-6,9,11 -12,16,20,27-28H,2-3,7H2, 1H3,(H2,18,24,29)(H2,19,2 1,22)/t9-,11-,12-,16-/m1/ s1; XNIWXZNBHJGVPA-UBEDBUPSSA-N |
COCN1C=C(C(=NC1=O)N)CNCC2C(C(C(O2)n3cnc4 c3ncnc4N)O)O; COCN1C=C(CNC[C@H]2O[C@H]([ C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC1= O)N; COCN1C=C(C(=NC1=O)N)CNC[C@@H]2[C@H] ([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; COC N1C=C(CNC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4 c(N)ncnc34)C(=NC1=O)N |
5-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]methyl]-4-azanyl-1-(methoxymethyl)pyrimidin-2-one |
| 32173 | LHC ZINC000058639014 |
0 | C8 H12 N4 O3 | InChI=1S/C8H12N4O3/c9-5(7 (13)14)1-3-12-4-2-6(10)11 -8(12)15/h2,4-5H,1,3,9H2, (H,13,14)(H2,10,11,15)/t5 -/m0/s1; FKWFMIJKLRYFAG-YFKPBYRVSA-N |
C1=CN(C(=O)N=C1N)CCC(C(=O)O)N; N[CH](CCN 1C=CC(=NC1=O)N)C(O)=O; N[C@@H](CCN1C=CC( =NC1=O)N)C(O)=O; O=C1N=C(C=CN1CCC(C(=O)O )N)N; C1=CN(C(=O)N=C1N)CC[C@@H](C(=O)O)N |
(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid |
| 32174 | LHD | 4 | C18 H26 N9 O5 | InChI=1S/C18H25N9O5/c1-31 -8-26-5-9(14(19)25-18(26) 30)4-21-3-2-10-12(28)13(2 9)17(32-10)27-7-24-11-15( 20)22-6-23-16(11)27/h5-7, 10,12-13,17,21,28-29H,2-4 ,8H2,1H3,(H2,19,25,30)(H2 ,20,22,23)/p+1/t10-,12-,1 3-,17-/m1/s1; YHTQXGJBVFZAQM-CNEMSGBDSA-O |
COCN1C=C(C(=NC1=O)N)C[NH2+]CC[C@@H]2[C@H ]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; CO CN1C=C(C[NH2+]CC[CH]2O[CH]([CH](O)[CH]2O )n3cnc4c(N)ncnc34)C(=NC1=O)N; COCN1C=C(C (=NC1=O)N)C[NH2+]CCC2C(C(C(O2)n3cnc4c3nc nc4N)O)O; COCN1C=C(C[NH2+]CC[C@H]2O[C@H] ([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34)C(=NC 1=O)N |
2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]azanium |
| 32175 | LHE ZINC000263621173 |
0 | C12 H26 N2 O3 | InChI=1S/C12H26N2O3/c1-4- 5-10(12(16)17)14-7-11(15) 9(13)6-8(2)3/h8-11,14-15H ,4-7,13H2,1-3H3,(H,16,17) /t9-,10-,11+/m0/s1; WENKKRZBAKQUEN-GARJFASQSA-N |
CCC[CH](NC[CH](O)[CH](N)CC(C)C)C(O)=O; C CCC(C(=O)O)NCC(C(CC(C)C)N)O; O=C(O)C(NCC (O)C(N)CC(C)C)CCC; CCC[C@@H](C(=O)O)NC[C @H]([C@H](CC(C)C)N)O; CCC[C@H](NC[C@@H]( O)[C@@H](N)CC(C)C)C(O)=O |
N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline |
| 32176 | LHF | 2 | C24 H28 Br N9 O5 | InChI=1S/C24H28BrN9O5/c25 -14-1-3-15(4-2-14)38-8-7- 33-10-13(20(26)32-24(33)3 7)9-28-6-5-16-18(35)19(36 )23(39-16)34-12-31-17-21( 27)29-11-30-22(17)34/h1-4 ,10-12,16,18-19,23,28,35- 36H,5-9H2,(H2,26,32,37)(H 2,27,29,30)/t16-,18-,19-, 23-/m1/s1; AFEXDGZCVHONJJ-DYVMYPEFSA-N |
NC1=NC(=O)N(CCOc2ccc(Br)cc2)C=C1CNCC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45; c 1cc(ccc1OCCN2C=C(C(=NC2=O)N)CNCCC3C(C(C( O3)n4cnc5c4ncnc5N)O)O)Br; c1cc(ccc1OCCN2 C=C(C(=NC2=O)N)CNCC[C@@H]3[C@H]([C@H]([C @@H](O3)n4cnc5c4ncnc5N)O)O)Br; NC1=NC(=O )N(CCOc2ccc(Br)cc2)C=C1CNCC[C@H]3O[C@H]( [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45 |
5-[[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethylamino]methyl]-4-azanyl-1-[2-(4-bromanylphenoxy)ethyl]pyrimidin-2-one |
| 32177 | LHG ZINC000032838271 |
0 | C38 H75 O10 P | InChI=1S/C38H75O10P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-37(41)45-33-36 (34-47-49(43,44)46-32-35( 40)31-39)48-38(42)30-28-2 6-24-22-20-18-16-14-12-10 -8-6-4-2/h35-36,39-40H,3- 34H2,1-2H3,(H,43,44)/t35- ,36+/m0/s1; BIABMEZBCHDPBV-MPQUPPDSSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO )O)OC(=O)CCCCCCCCCCCCCCC; O=C(OC(COP(=O) (OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCC CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H]( CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC CCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[ P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCC CC; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O )(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC |
1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE |
| 32178 | LHH | 0 | C12 H18 N3 O9 P | InChI=1S/C12H18N3O9P/c1-6 (16)13-8-3-4-15(12(18)14- 8)11-10(22-2)9(17)7(24-11 )5-23-25(19,20)21/h3-4,7, 9-11,17H,5H2,1-2H3,(H2,19 ,20,21)(H,13,14,16,18)/t7 -,9-,10-,11-/m1/s1; XSIWUOJELZFTTR-QCNRFFRDSA-N |
CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N 2C=CC(=NC2=O)NC(C)=O; CO[C@@H]1[C@H](O)[ C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=NC2=O )NC(C)=O; CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C (O2)COP(=O)(O)O)O)OC; CC(=O)NC1=NC(=O)N( C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O )(O)O)O)OC |
[(2~{R},3~{R},4~{R},5~{R})-5-(4-acetamido-2-oxidanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
| 32179 | LHI | 1 | C93 H155 N7 O23 P2 S | InChI=1S/C93H155N7O23P2S/ c1-62(2)29-19-30-63(3)31- 20-32-64(4)33-21-34-65(5) 35-22-36-66(6)37-23-38-67 (7)39-24-40-68(8)41-25-42 -69(9)43-26-44-70(10)45-2 7-46-71(11)47-28-48-72(12 )51-54-117-124(111,112)12 3-125(113,114)122-92-84(9 8-76(16)104)88(87(79(60-1 02)120-92)121-91-83(97-75 (15)103)86(107)85(106)78( 59-101)119-91)118-74(14)9 0(109)96-73(13)89(108)95- 53-56-116-58-57-115-55-52 -94-81(105)50-18-17-49-80 -82-77(61-126-80)99-93(11 0)100-82/h29,31,33,35,37, 39,41,43,45,47,51,73-74,7 7-80,82-88,91-92,101-102, 106-107H,17-28,30,32,34,3 6,38,40,42,44,46,48-50,52 -61H2,1-16H3,(H,94,105)(H ,95,108)(H,96,109)(H,97,1 03)(H,98,104)(H,111,112)( H,113,114)(H2,99,100,110) /b63-31-,64-33?,65-35?,66 -37?,67-39-,68-41-,69-43- ,70-45?,71-47?,72-51-/t73 -,74+,77-,78+,79+,80-,82- ,83+,84+,85-,86+,87+,88+, 91-,92+/m0/s1; WLFSVWBINOGDFX-PARYEQGPSA-N |
CC(C(=O)NCCOCCOCCNC(=O)CCCCC1C2C(CS1)NC( =O)N2)NC(=O)C(C)OC3C(C(OC(C3OC4C(C(C(C(O 4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OC C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC C=C(C)C)NC(=O)C; C[C@H](NC(=O)[C@@H](C)O [C@@H]1[C@@H](NC(C)=O)[C@H](O[C@H](CO)[C @H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C @H]2NC(C)=O)O[P](O)(=O)O[P](O)(=O)OC\C=C (C)/CC/C=C(C)/CC/C=C(C)/CC\C=C(C)/CC\C=C (C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C (C)/CC\C=C(C)/CCC=C(C)C)C(=O)NCCOCCOCCNC (=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34; C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[C H](O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[ CH](O)[CH]2NC(C)=O)O[P](O)(=O)O[P](O)(=O )OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C )CCC=C(C)C)C(=O)NCCOCCOCCNC(=O)CCCC[CH]3 SC[CH]4NC(=O)N[CH]34; C[C@@H](C(=O)NCCOC COCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC( =O)N2)NC(=O)[C@@H](C)O[C@@H]3[C@H]([C@H] (O[C@@H]([C@H]3O[C@H]4[C@@H]([C@H]([C@H] ([C@H](O4)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP( =O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC C=C(C)CCC=C(C)C)NC(=O)C |
[(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate |
| 32180 | LHJ CHEMBL1091199 ZINC000043200944 |
1 | C24 H20 F2 N4 O2 | InChI=1S/C24H20F2N4O2/c1- 13-3-4-14(22(31)28-17-6-7 -17)9-18(13)19-10-15-12-2 7-30(23(15)29(2)24(19)32) 21-8-5-16(25)11-20(21)26/ h3-5,8-12,17H,6-7H2,1-2H3 ,(H,28,31); XQRUWZMHPKNIDA-UHFFFAOYSA-N |
Cc1ccc(cc1C2=Cc3cnn(c3N(C2=O)C)c4ccc(cc4 F)F)C(=O)NC5CC5; CN1C(=O)C(=Cc2cnn(c3ccc (F)cc3F)c12)c4cc(ccc4C)C(=O)NC5CC5 |
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide |
| 32181 | LHK | 1 | C9 H14 N2 O10 S | InChI=1S/C9H14N2O10S/c12- 6(13)2-1-4(8(16)17)10-22( 20,21)11-5(9(18)19)3-7(14 )15/h4-5,10-11H,1-3H2,(H, 12,13)(H,14,15)(H,16,17)( H,18,19)/t4-,5-/m0/s1; YMLMAINCBMGBCN-WHFBIAKZSA-N |
C(CC(=O)O)[C@@H](C(=O)O)NS(=O)(=O)N[C@@H ](CC(=O)O)C(=O)O; OC(=O)CC[C@H](N[S](=O) (=O)N[C@@H](CC(O)=O)C(O)=O)C(O)=O; C(CC( =O)O)C(C(=O)O)NS(=O)(=O)NC(CC(=O)O)C(=O) O; OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)= O)C(O)=O)C(O)=O |
(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid |
| 32182 | LHL CHEMBL1234002 ZINC000058639016 |
3 | C25 H28 Cl2 N6 O2 | InChI=1S/C25H28Cl2N6O2/c1 -4-32(5-2)13-14-35-19-11- 9-18(10-12-19)29-24-28-15 -17-16-33(25(34)31(3)23(1 7)30-24)22-20(26)7-6-8-21 (22)27/h6-12,15H,4-5,13-1 4,16H2,1-3H3,(H,28,29,30); LQYPBKQMDVWUGO-UHFFFAOYSA-N |
CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N (C3)c4c(cccc4Cl)Cl)C; CCN(CC)CCOc1ccc(Nc 2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1 |
3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
| 32183 | LHM | 1 | C15 H16 F N3 O | InChI=1S/C15H16FN3O/c16-1 2-6-4-11(5-7-12)9-17-15(2 0)13-10-18-19-8-2-1-3-14( 13)19/h4-7,10H,1-3,8-9H2, (H,17,20); HVMSJMIBUMLXDJ-UHFFFAOYSA-N |
c1cc(ccc1CNC(=O)c2cnn3c2CCCC3)F; Fc1ccc( CNC(=O)c2cnn3CCCCc23)cc1; N(Cc1ccc(cc1)F )C(=O)c2cnn3c2CCCC3 |
N-[(4-fluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide |
| 32184 | LHO ZINC000098209115 |
0 | C15 H18 N O6 P S | InChI=1S/C15H18NO6PS/c1-9 -2-3-11-10(6-9)4-5-16(15( 11)24)14-7-12(17)13(22-14 )8-21-23(18,19)20/h2-6,12 -14,17H,7-8H2,1H3,(H2,18, 19,20)/t12-,13+,14+/m0/s1; VWYVWCCRRCEFQM-BFHYXJOUSA-N |
O=P(O)(O)OCC3OC(N2C(=S)c1c(cc(cc1)C)C=C2 )CC3O; Cc1ccc2C(=S)N(C=Cc2c1)[CH]3C[CH]( O)[CH](CO[P](O)(O)=O)O3; Cc1ccc2C(=S)N(C =Cc2c1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O) =O)O3; Cc1ccc2c(c1)C=CN(C2=S)C3CC(C(O3)C OP(=O)(O)O)O; Cc1ccc2c(c1)C=CN(C2=S)[C@H ]3C[C@@H]([C@H](O3)COP(=O)(O)O)O |
2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione |
| 32185 | LHP ZINC000095921179 |
1 | C27 H44 O4 | InChI=1S/C27H44O4/c1-5-25 (30)31-19-12-14-26(3)18(1 6-19)7-8-20-22-10-9-21(17 (2)6-11-24(28)29)27(22,4) 15-13-23(20)26/h17-23H,5- 16H2,1-4H3,(H,28,29)/t17- ,18-,19-,20+,21-,22+,23+, 26+,27-/m1/s1; RDIKLWFVJHJCMN-RMXYKXGFSA-N |
CCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C )CCC(=O)O)C)C; CCC(=O)O[C@@H]1CC[C@]2([C @@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC [C@@H]4[C@H](C)CCC(=O)O)C)C; O=C(O)CCC(C 4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)C C4)C)C; CCC(=O)O[C@@H]1CC[C@@]2(C)[C@H]( CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(O)=O) [C@@]4(C)CC[C@H]23)C1; CCC(=O)O[CH]1CC[C ]2(C)[CH](CC[CH]3[CH]4CC[CH]([CH](C)CCC( O)=O)[C]4(C)CC[CH]23)C1 |
(3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid; Lithocholic acid propionate |
| 32186 | LHQ | 7 | C29 H44 N7 O18 P3 S | InChI=1S/C29H44N7O18P3S/c 1-29(2,24(40)27(41)32-8-7 -19(37)31-9-11-58-20(38)1 2-17-6-4-3-5-10-49-17)14- 51-57(47,48)54-56(45,46)5 0-13-18-23(53-55(42,43)44 )22(39)28(52-18)36-16-35- 21-25(30)33-15-34-26(21)3 6/h3,5-6,15-16,18,22-24,2 8,39-40H,4,7-14H2,1-2H3,( H,31,37)(H,32,41)(H,45,46 )(H,47,48)(H2,30,33,34)(H 2,42,43,44)/t18-,22-,23-, 24+,28-/m1/s1; GQJGZLQATBGDEV-CECATXLMSA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]( [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)( O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4=CCC= CCO4)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O) n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)N CCSC(=O)CC4=CCC=CCO4; CC(C)(CO[P](O)(=O) O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P] (O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NC CC(=O)NCCSC(=O)CC4=CCC=CCO4; CC(C)(COP(= O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3 N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C C4=CCC=CCO4)O |
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate |
| 32187 | LHR ZINC000005291601 |
4 | C9 H9 N3 O | InChI=1S/C9H9N3O/c1-6(13) 11-8-3-2-7-5-10-12-9(7)4- 8/h2-5H,1H3,(H,10,12)(H,1 1,13); HOQHKYACTYMRFK-UHFFFAOYSA-N |
CC(=O)Nc1ccc2cn[NH]c2c1; CC(=O)Nc1ccc2cn [nH]c2c1 |
N-(1H-indazol-6-yl)acetamide |
| 32188 | LHS | 1 | C12 H12 F N3 O3 | InChI=1S/C12H12FN3O3/c1-1 8-7-10-15-11(16-19-10)12( 17)14-6-8-2-4-9(13)5-3-8/ h2-5H,6-7H2,1H3,(H,14,17); ABEBQQLGINUBLA-UHFFFAOYSA-N |
n2c(C(NCc1ccc(F)cc1)=O)noc2COC; COCc1nc( no1)C(=O)NCc2ccc(cc2)F; COCc1onc(n1)C(=O )NCc2ccc(F)cc2 |
N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide |
| 32189 | LHT | 3 | C22 H27 N3 O8 S | InChI=1S/C22H27N3O8S/c1-9 -16(15(10(2)26)21(30)31)2 5-17(22(32)33)18(9)34-13- 7-14(23-8-13)19(27)24-12- 5-3-4-11(6-12)20(28)29/h3 -6,9-10,13-16,23,25-26H,7 -8H2,1-2H3,(H,24,27)(H,28 ,29)(H,30,31)(H,32,33)/t9 -,10-,13+,14+,15-,16-/m1/ s1; LMDXYCKWMWUYCV-ANEDZVCMSA-N |
C[C@@H](O)[C@H]([C@@H]1NC(=C(S[C@@H]2CN[ C@@H](C2)C(=O)Nc3cccc(c3)C(O)=O)[C@@H]1C )C(O)=O)C(O)=O; C[C@@H]1[C@@H](NC(=C1S[C @H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C( =O)O)[C@@H]([C@@H](C)O)C(=O)O; CC1C(NC(= C1SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O) O)C(C(C)O)C(=O)O; C[CH](O)[CH]([CH]1NC(= C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O )[CH]1C)C(O)=O)C(O)=O |
hydrolysed ertapenem |
| 32190 | LHU CHEMBL1229591 |
0 | C9 H13 N2 O9 P | InChI=1/C9H13N2O9P/c12-5- 1-2-11(9(15)10-5)8-7(14)6 (13)4(20-8)3-19-21(16,17) 18/h1-2,4,6-8,13-14H,3H2, (H,10,12,15)(H2,16,17,18) /t4-,6-,7-,8-/m0/s1/f/h10 ,16-17H; DJJCXFVJDGTHFX-BNODKPKQDS |
O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O) O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O )N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)C2C(C (C(O2)COP(=O)(O)O)O)O; C1=CN(C(=O)NC1=O) [C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O )O)O; O[C@@H]1[C@H](O)[C@H](O[C@H]1CO[P] (O)(O)=O)N2C=CC(=O)NC2=O |
L-URIDINE-5'-MONOPHOSPHATE |
| 32191 | LHV CHEMBL1162480 ZINC000000389853 |
6 | C5 H10 O3 | InChI=1S/C5H10O3/c1-3(2)4 (6)5(7)8/h3-4,6H,1-2H3,(H ,7,8)/t4-/m0/s1; NGEWQZIDQIYUNV-BYPYZUCNSA-N |
CC(C)[C@H](O)C(O)=O; CC(C)C(C(=O)O)O; CC (C)[CH](O)C(O)=O; CC(C)[C@@H](C(=O)O)O; O=C(O)C(O)C(C)C |
(2S)-2-hydroxy-3-methylbutanoic acid |
| 32192 | LHW | 6 | H16 Mo10 O35 | InChI=1S/10Mo.16H2O.19O/h ;;;;;;;;;;16*1H2;;;;;;;;; ;;;;;;;;;;/q4*+1;6*+2;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;3*+1;+2/p-16; QLJDKXQFXYWLGK-UHFFFAOYSA-A |
O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+] 1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[M o]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3( O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O) O)(O)O; O[Mo]123[O+]4[Mo]56(O)(O)O[Mo]47 (O)(O)O[Mo]89(O)(O)O[Mo]%10(O)(O)(O[Mo]% 11%12(O)(O)O[Mo](O)(O)(O5)(O[Mo]%13%14(O )(O6)O[Mo]%15(O)(O7)(O8)O[Mo](O)(O%11)(O %10)(O%13)[O++]1%14%15)[O+]2%12)[O+]39 |
MO(10)-O(35) Cluster |
| 32193 | LHX CHEMBL592378 |
1 | C17 H20 O6 | InChI=1S/C17H20O6/c1-22-1 5-7-10(3-5-13(15)19)12(9- 18)17(21)11-4-6-14(20)16( 8-11)23-2/h3-8,12,17-21H, 9H2,1-2H3/t12-,17-/m0/s1; DFUOJBWSSSODTR-SJCJKPOMSA-N |
COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC )c2; COc1cc(ccc1O)[C@H](CO)[C@H](c2ccc(c (c2)OC)O)O; COc1cc(ccc1O)C(CO)C(c2ccc(c( c2)OC)O)O; COc1cc(ccc1O)[C@H](O)[C@@H](C O)c2ccc(O)c(OC)c2 |
(1R,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
| 32194 | LHY DB02652 ZINC000003581318 |
12 | C10 H12 N2 O4 | InChI=1S/C10H12N2O4/c13-9 (14)8(11-10(15)12-16)6-7- 4-2-1-3-5-7/h1-5,8,16H,6H 2,(H,13,14)(H2,11,12,15)/ t8-/m0/s1; IOFPEOPOAMOMBE-QMMMGPOBSA-N |
c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO; c1ccc (cc1)CC(C(=O)O)NC(=O)NO; ONC(=O)N[C@@H]( Cc1ccccc1)C(O)=O; ONC(=O)N[CH](Cc1ccccc1 )C(O)=O; O=C(O)C(NC(=O)NO)Cc1ccccc1 |
L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE |
| 32195 | LHZ CHEMBL4482864 DB21296 |
1 | C24 H24 F2 N8 O2 | InChI=1S/C24H24F2N8O2/c1- 14-9-27-24(30-20-6-7-28-3 2(20)2)31-21(14)19-12-33- 11-16(13-36-3)34(23(35)22 (33)29-19)10-15-4-5-17(25 )18(26)8-15/h4-9,12,16H,1 0-11,13H2,1-3H3,(H,27,30, 31)/t16-/m1/s1; HVIGNZUDBVLTLU-MRXNPFEDSA-N |
COC[C@H]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c(F)c3 )c4nc(Nc5ccnn5C)ncc4C; Cc1cnc(nc1c2cn3c( n2)C(=O)N(C(C3)COC)Cc4ccc(c(c4)F)F)Nc5cc nn5C; COC[CH]1Cn2cc(nc2C(=O)N1Cc3ccc(F)c (F)c3)c4nc(Nc5ccnn5C)ncc4C; Cc1cnc(nc1c2 cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4) F)F)Nc5ccnn5C |
(6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one; AZD0364 |
| 32196 | LI CHEMBL1234004 DB01356 |
5 | Li | InChI=1S/Li/q+1; HBBGRARXTFLTSG-UHFFFAOYSA-N |
[Li+] | LITHIUM ION |
| 32197 | LI0 CHEMBL218222 ZINC000049942337 |
2 | C36 H40 N4 O6 S2 | InChI=1S/C36H40N4O6S2/c1- 35(2,26-47-30-12-8-5-9-13 -30)37-32-19-18-31(24-33( 32)40(42)43)48(44,45)38-3 4(41)28-14-16-29(17-15-28 )39-22-20-36(46-3,21-23-3 9)25-27-10-6-4-7-11-27/h4 -19,24,37H,20-23,25-26H2, 1-3H3,(H,38,41); REQAXYXBBHHBCA-UHFFFAOYSA-N |
COC1(CCN(CC1)c2ccc(cc2)C(=O)N[S](=O)(=O) c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([O-]) =O)Cc5ccccc5; [O-][N+](=O)c2cc(ccc2NC(C) (C)CSc1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N 4CCC(OC)(CC4)Cc5ccccc5; CC(C)(CSc1ccccc1 )Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c 3ccc(cc3)N4CCC(CC4)(Cc5ccccc5)OC |
4-(4-BENZYL-4-METHOXYPIPERIDIN-1-YL)-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE |
| 32198 | LI1 | 0 | C42 H86 O3 | InChI=1S/C42H86O3/c1-35(2 )19-13-11-10-12-14-21-37( 5)23-17-28-41(9)30-32-45- 42(33-43)34-44-31-29-40(8 )27-18-26-39(7)25-16-24-3 8(6)22-15-20-36(3)4/h35-4 3H,10-34H2,1-9H3/t37-,38+ ,39?,40+,41-,42-/m1/s1; YERVUJAKCNBGCR-BIHSMRAKSA-N |
CC(C)CCCCCCCC(C)CCCC(C)CCOC(CO)COCCC(C)C CCC(C)CCCC(C)CCCC(C)C; OCC(OCCC(CCCC(CCC CCCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC (C)C; CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)C CO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C @@H](C)CCCC(C)C; CC(C)CCCCCCC[CH](C)CCC[ CH](C)CCO[CH](CO)COCC[CH](C)CCC[CH](C)CC C[CH](C)CCCC(C)C |
1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL; LIPID FRAGMENT |
| 32199 | LI2 CHEMBL365776 DB08091 ZINC000003818635 |
1 | C26 H25 F N4 O2 | InChI=1S/C26H25FN4O2/c27- 21-13-20(14-23(15-21)31-9 -11-33-12-10-31)26(32)30- 22-3-4-25-24(16-22)19(17- 29-25)2-1-18-5-7-28-8-6-1 8/h3-8,13-17,29H,1-2,9-12 H2,(H,30,32); HIUFYIOMUILESI-UHFFFAOYSA-N |
O=C(Nc2cc1c(cnc1cc2)CCc3ccncc3)c4cc(cc(F )c4)N5CCOCC5; c1cc2c(cc1NC(=O)c3cc(cc(c3 )F)N4CCOCC4)c(c[nH]2)CCc5ccncc5; Fc1cc(c c(c1)C(=O)Nc2ccc3[nH]cc(CCc4ccncc4)c3c2) N5CCOCC5 |
3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE |
| 32200 | LI3 CHEMBL195450 DB08092 |
1 | C19 H18 F N3 O2 | InChI=1S/C19H18FN3O2/c20- 15-9-14(11-17(12-15)23-5- 7-25-8-6-23)19(24)22-16-1 -2-18-13(10-16)3-4-21-18/ h1-4,9-12,21H,5-8H2,(H,22 ,24); VMLSXFMXUNVCSK-UHFFFAOYSA-N |
Fc1cc(cc(c1)C(=O)Nc2ccc3[nH]ccc3c2)N4CCO CC4; O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4C COCC4; c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c 3)F)N4CCOCC4 |
3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE |