Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 32401 | LNT ZINC000058649584 |
0 | C10 H22 N2 O5 | InChI=1S/C10H22N2O5/c1-5( 2)4-7(11)10(16,17)12-8(6( 3)13)9(14)15/h5-8,12-13,1 6-17H,4,11H2,1-3H3,(H,14, 15)/t6-,7+,8+/m1/s1; JUVAHRIWFDXYGV-CSMHCCOUSA-N |
CC(C)C[C@H](N)C(O)(O)N[C@@H]([C@@H](C)O) C(O)=O; C[C@H]([C@@H](C(=O)O)NC([C@H](CC (C)C)N)(O)O)O; O=C(O)C(NC(O)(O)C(N)CC(C) C)C(O)C; CC(C)C[CH](N)C(O)(O)N[CH]([CH]( C)O)C(O)=O; CC(C)CC(C(NC(C(C)O)C(=O)O)(O )O)N |
N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine |
| 32402 | LNU CHEMBL4747905 |
2 | C22 H24 N2 O5 | InChI=1S/C22H24N2O5/c1-4- 28-22(25)19-10-15-6-5-7-1 6-12-23-29-21(16)20(15)24 (19)13-14-8-17(26-2)11-18 (9-14)27-3/h8-12H,4-7,13H 2,1-3H3; YNGBQIFIRITUMH-UHFFFAOYSA-N |
CCOC(=O)c1cc2c(n1Cc3cc(cc(c3)OC)OC)-c4c( cno4)CCC2; CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc 4cc(OC)cc(OC)c4 |
ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate |
| 32403 | LNV CHEMBL466246 DB12791 ZINC000003985629 |
13 | C13 H22 N4 O7 | InChI=1S/C13H22N4O7/c1-5( 19)16-9-6(17-13(14)15)3-8 (12(21)22)24-11(9)10(23-2 )7(20)4-18/h3,6-7,9-11,18 ,20H,4H2,1-2H3,(H,16,19)( H,21,22)(H4,14,15,17)/t6- ,7+,9+,10+,11+/m0/s1; QNRRHYPPQFELSF-CNYIRLTGSA-N |
CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC( =N)N; O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C) C(C=1)NC(=[N@H])N; CO[CH]([CH](O)CO)[CH] 1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O; [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC( =O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O; CO[C@ H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N) [C@H]1NC(C)=O)C(O)=O |
5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid; 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid; Laninamivir |
| 32404 | LNW CHEMBL3808465 ZINC000584905621 |
2 | C16 H14 O4 | InChI=1S/C16H14O4/c17-15( 18)9-11-6-12(10-16(19)20) 8-14(7-11)13-4-2-1-3-5-13 /h1-8H,9-10H2,(H,17,18)(H ,19,20); VAGQJIBPPQRDCK-UHFFFAOYSA-N |
OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2; c1cc c(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; C(C(O) =O)c1cc(CC(=O)O)cc(c1)c2ccccc2 |
2,2'-biphenyl-3,5-diyldiacetic acid |
| 32405 | LNX CHEMBL3809104 ZINC000584905618 |
2 | C14 H12 O4 S | InChI=1S/C14H12O4S/c15-13 (16)7-9-4-10(8-14(17)18)6 -11(5-9)12-2-1-3-19-12/h1 -6H,7-8H2,(H,15,16)(H,17, 18); KZPRFEGRESQBAV-UHFFFAOYSA-N |
c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; OC( =O)Cc1cc(CC(O)=O)cc(c1)c2sccc2; C(C(O)=O )c1cc(cc(c1)c2cccs2)CC(=O)O |
2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid |
| 32406 | LNY CHEMBL3810161 ZINC000584905616 |
1 | C17 H14 O5 S | InChI=1S/C17H14O5S/c18-5- 1-2-14-3-4-15(23-14)13-7- 11(9-16(19)20)6-12(8-13)1 0-17(21)22/h3-4,6-8,18H,5 ,9-10H2,(H,19,20)(H,21,22 ); GUHLJLFVRKYNRL-UHFFFAOYSA-N |
OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2 ; c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O )O; C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)C C(O)=O |
2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid |
| 32407 | LNZ CHEMBL3808396 ZINC000584905612 |
1 | C17 H17 N O5 S2 | InChI=1S/C17H17NO5S2/c1-1 1-9-15(23-2)14(10-13(11)1 7(20)18-25(3,21)22)16-7-6 -12(24-16)5-4-8-19/h6-7,9 -10,19H,8H2,1-3H3,(H,18,2 0); BQEHLOAHCIMXML-UHFFFAOYSA-N |
Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#C CO)OC; c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2c cc(s2)C#CCO)OC; COc1cc(C)c(cc1c2sc(cc2)C #CCO)C(=O)N[S](C)(=O)=O |
5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide |
| 32408 | LO0 | 1 | C15 H16 N2 O4 | InChI=1S/C15H16N2O4/c1-20 -12-4-2-3-5-13(12)21-9-8- 17-15(19)11-6-7-16-14(18) 10-11/h2-7H,8-10H2,1H3,(H ,17,19); NGQXLOHCACFSJS-UHFFFAOYSA-N |
COc1ccccc1OCCNC(=O)C2=CC=NC(=O)C2; O=C(N CCOc1ccccc1OC)C1=CC=NC(=O)C1 |
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide |
| 32409 | LO1 CHEMBL426815 DB02420 |
1 | C9 H10 N2 O3 | InChI=1S/C9H10N2O3/c10-5- 6-1-3-7(4-2-6)11-8(12)9(1 3)14/h1-4H,5,10H2,(H,11,1 2)(H,13,14); RKILOCCSAVHHJT-UHFFFAOYSA-N |
NCc1ccc(NC(=O)C(O)=O)cc1; O=C(Nc1ccc(cc1 )CN)C(=O)O; c1cc(ccc1CN)NC(=O)C(=O)O |
[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID, |
| 32410 | LO2 CHEMBL493033 ZINC000013982505 |
2 | C22 H24 Cl F6 N O3 | InChI=1S/C22H24ClF6NO3/c1 -4-5-10-30(13-14-11-17(23 )19(33-3)18(12-14)32-2)16 -8-6-15(7-9-16)20(31,21(2 4,25)26)22(27,28)29/h6-9, 11-12,31H,4-5,10,13H2,1-3 H3; QKFWYOZIIUVZRC-UHFFFAOYSA-N |
CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2 )C(C(F)(F)F)(C(F)(F)F)O; CCCCN(Cc1cc(Cl) c(OC)c(OC)c1)c2ccc(cc2)C(O)(C(F)(F)F)C(F )(F)F; CCCCN(Cc1cc(c(c(c1)Cl)OC)OC)c2ccc (cc2)C(C(F)(F)F)(C(F)(F)F)O; Clc1cc(cc(O C)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F )F)CCCC |
2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol; 2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol |
| 32411 | LO3 ZINC000098209124 |
4 | C42 H70 O12 | InChI=1S/C42H70O12/c1-25- 14-17-39(44)54-41(29(5)40 (45)26(2)15-16-32-20-33(4 6-6)19-27(3)52-32)28(4)35 (47-7)23-38(50-10)42(24-5 1-42)37(49-9)22-31-13-11- 12-30(53-31)21-36(48-8)34 (43)18-25/h11-12,14,17-18 ,26-38,40-41,43,45H,13,15 -16,19-24H2,1-10H3/b17-14 +,25-18+/t26-,27-,28-,29- ,30-,31-,32-,33+,34+,35+, 36+,37-,38-,40-,41-,42-/m 0/s1; YPLVKLZVFQFTLN-NNZJXHHNSA-N |
CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H ](O)[C@H](C)[C@H]2OC(=O)\C=C\C(=C\[C@@H] (O)[C@@H](C[C@H]3O[C@@H](CC=C3)C[C@H](OC )[C@@]4(CO4)[C@H](C[C@@H](OC)[C@@H]2C)OC )OC)C)C1; C[C@H]1C[C@H](C[C@@H](O1)CC[C@ H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H]( C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H ](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C) O)OC)OC)OC)OC)C)O)OC; CO[CH]1C[CH](C)O[C H](CC[CH](C)[CH](O)[CH](C)[CH]2OC(=O)C=C C(=C[CH](O)[CH](C[CH]3O[CH](CC=C3)C[CH]( OC)[C]4(CO4)[CH](C[CH](OC)[CH]2C)OC)OC)C )C1; CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C3 (CO3)C(CC4CC=CC(O4)CC(C(C=C(C=CC(=O)O2)C )O)OC)OC)OC)OC)C)O)OC; O=C3OC(C(C)C(OC)C C(OC)C1(OC1)C(OC)CC2OC(C=CC2)CC(OC)C(O)C =C(C=C3)C)C(C)C(O)C(CCC4OC(CC(OC)C4)C)C |
(1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one |
| 32412 | LO4 | 1 | C18 H23 N O3 S | InChI=1S/C18H23NO3S/c1-18 (9-3-2-4-10-18)12-22-14-7 -5-13(6-8-14)11-15-16(20) 19-17(21)23-15/h5-8,23H,2 -4,9-12H2,1H3,(H,19,20,21 ); VYHNBSGGAFFFLO-UHFFFAOYSA-N |
CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O; c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3 )=O; CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3 =O)cc2 |
Ciglitazone; 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione |
| 32413 | LO5 ZINC000000299710 |
3 | C13 H17 N O3 | InChI=1S/C13H17NO3/c1-2-1 1(15-5-1)8-14-7-10-3-4-12 -13(6-10)17-9-16-12/h3-4, 6,11,14H,1-2,5,7-9H2/t11- /m1/s1; GSKKKMLEVJZIAD-LLVKDONJSA-N |
C1CO[CH](C1)CNCc2ccc3OCOc3c2; c1cc2c(cc1 CNCC3CCCO3)OCO2; c1cc2c(cc1CNC[C@H]3CCCO 3)OCO2; C1CO[C@H](C1)CNCc2ccc3OCOc3c2 |
1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
| 32414 | LO6 ZINC000334254755 |
1 | C9 H15 F2 N O3 | InChI=1S/C9H15F2NO3/c1-6- 3-12(4-7(2)15-6)8(13)5-14 -9(10)11/h6-7,9H,3-5H2,1- 2H3/t6-,7+; KVTKFHLTYQIGCM-KNVOCYPGSA-N |
CC1CN(CC(O1)C)C(=O)COC(F)F; C[CH]1CN(C[C H](C)O1)C(=O)COC(F)F; O=C(COC(F)F)N1CC(C )OC(C)C1; C[C@@H]1CN(C[C@@H](O1)C)C(=O)C OC(F)F; C[C@@H]1CN(C[C@H](C)O1)C(=O)COC( F)F |
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one |
| 32415 | LO7 ZINC000001482950 |
3 | C19 H18 N2 O4 S | InChI=1S/C19H18N2O4S/c1-2 -12-5-8-15(20-10-12)16(22 )11-25-14-6-3-13(4-7-14)9 -17-18(23)21-19(24)26-17/ h3-8,10,17H,2,9,11H2,1H3, (H,21,23,24)/t17-/m0/s1; IRNJSRAGRIZIHD-KRWDZBQOSA-N |
CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3 =O)cc2; CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C @H]3C(=O)NC(=O)S3; CCc1ccc(nc1)C(=O)COc2 ccc(C[C@@H]3SC(=O)NC3=O)cc2; c2(OCC(c1cc c(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O; CCc1 ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S 3 |
Mitoglitazone; (5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione |
| 32416 | LO8 | 1 | C16 H23 N3 O2 | InChI=1S/C16H23N3O2/c1-16 (12-19(8-7-18-16)14-10-21 -11-14)15(20)17-9-13-5-3- 2-4-6-13/h2-6,14,18H,7-12 H2,1H3,(H,17,20)/t16-/m0/ s1; IRKRQLZUELHGGZ-INIZCTEOSA-N |
CC1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C] 1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C@]1 (CN(CCN1)C2COC2)C(=O)NCc3ccccc3 |
(2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide |
| 32417 | LO9 | 4 | C18 H16 N2 O3 | InChI=1S/C18H16N2O3/c1-21 -15-5-12(6-16(7-15)22-2)9 -20-10-14-4-3-13-8-19-23- 18(13)17(14)11-20/h3-8,10 -11H,9H2,1-2H3; GVTUEXALHVXNOH-UHFFFAOYSA-N |
COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1; COc 1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2 |
7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole |
| 32418 | LOA CHEMBL272041 ZINC000028536877 |
1 | C26 H42 O4 | InChI=1S/C26H42O4/c1-16(5 -10-24(28)29)21-8-9-22-20 -7-6-18-15-19(30-17(2)27) 11-13-25(18,3)23(20)12-14 -26(21,22)4/h16,18-23H,5- 15H2,1-4H3,(H,28,29)/t16- ,18-,19-,20+,21-,22+,23+, 25+,26-/m1/s1; FCQRLHQHKFKTQE-HCTDMSSWSA-N |
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC [C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC (=O)C)C)C; C[C@H](CCC(O)=O)[C@H]1CC[C@H] 2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H] 3CC[C@]12C)OC(C)=O; CC(CCC(=O)O)C1CCC2C1 (CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C; C[CH]( CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](C C[C]4(C)[CH]3CC[C]12C)OC(C)=O; O=C(O)CCC (C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3) CC4)C)C |
(3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid; Lithocholic acid acetate |
| 32419 | LOB ZINC000000156931 |
20 | C22 H27 N O2 | InChI=1S/C22H27NO2/c1-23- 19(15-21(24)17-9-4-2-5-10 -17)13-8-14-20(23)16-22(2 5)18-11-6-3-7-12-18/h2-7, 9-12,19-21,24H,8,13-16H2, 1H3/t19-,20+,21-/m1/s1; MXYUKLILVYORSK-QHAWAJNXSA-N |
C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C @H](c3ccccc3)O; O=C(c1ccccc1)CC3N(C)C(CC (O)c2ccccc2)CCC3; CN1[C@H](CCC[C@H]1CC(= O)c2ccccc2)C[C@@H](O)c3ccccc3; CN1C(CCCC 1CC(=O)c2ccccc2)CC(c3ccccc3)O; CN1[CH](C CC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3 |
LOBELINE; 2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE |
| 32420 | LOC CHEMBL107 DB01394 ZINC000000621853 |
57 | C22 H25 N O6 | InChI=1S/C22H25NO6/c1-12( 24)23-16-8-6-13-10-19(27- 3)21(28-4)22(29-5)20(13)1 4-7-9-18(26-2)17(25)11-15 (14)16/h7,9-11,16H,6,8H2, 1-5H3,(H,23,24)/t16-/m0/s 1; IAKHMKGGTNLKSZ-INIZCTEOSA-N |
O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(O C)c2OC)CC3)C; CC(=O)NC1CCc2cc(c(c(c2C3=C C=C(C(=O)C=C13)OC)OC)OC)OC; CC(=O)N[C@H] 1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)O C)OC; COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC) c(OC)c(OC)c23)NC(C)=O; COC1=CC=C2C(=CC1= O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O |
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide; COLCHICINE |
| 32421 | LOD CHEMBL4449176 |
2 | C23 H24 Cl N O3 | InChI=1S/C23H24ClNO3/c24- 18-5-6-19-16(10-18)8-9-23 (19)13-25(12-15-2-1-3-15) 20-11-17(22(26)27)4-7-21( 20)28-14-23/h4-7,10-11,15 H,1-3,8-9,12-14H2,(H,26,2 7)/t23-/m0/s1; YLXRDIJLTBHLLJ-QHCPKHFHSA-N |
c1cc2c(cc1C(=O)O)N(CC3(CCc4c3ccc(c4)Cl)C O2)CC5CCC5; c1cc2c(cc1C(=O)O)N(C[C@@]3(C Cc4c3ccc(c4)Cl)CO2)CC5CCC5; OC(=O)c1ccc2 OC[C@]3(CCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1; OC(=O)c1ccc2OC[C]3(CCc4cc(Cl)ccc34)CN(C C5CCC5)c2c1; c5c(Cl)cc4CCC2(COc1ccc(cc1N (C2)CC3CCC3)C(O)=O)c4c5 |
(3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid |
| 32422 | LOE ZINC000000238636 |
1 | C14 H25 N O2 | InChI=1S/C14H25NO2/c1-3-7 -14(8-4-1)16-12-13(17-14) 11-15-9-5-2-6-10-15/h13H, 1-12H2/t13-/m0/s1; QYPMYEBDZRSXPG-ZDUSSCGKSA-N |
C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3; C1CCC2 (CC1)OCC(O2)CN3CCCCC3; C1CCN(CC1)C[CH]2C OC3(CCCCC3)O2; C1CCN(CC1)C[C@H]2COC3(CCC CC3)O2 |
1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine |
| 32423 | LOF DB02494 |
0 | C9 H10 O3 | InChI=1/C9H10O3/c10-8(9(1 1)12)6-7-4-2-1-3-5-7/h1-5 ,8,10H,6H2,(H,11,12)/t8-/ m0/s1/f/h11H; VOXXWSYKYCBWHO-KMJKUPBBDH |
c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H] (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H]( Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O |
3-PHENYL-LACTIC ACID |
| 32424 | LOG CHEMBL402605 ZINC000005167376 |
10 | C8 H14 N2 O6 | InChI=1S/C8H14N2O6/c1-3(1 2)9-5-7(14)6(13)4(2-11)16 -8(5)10-15/h4-7,11,13-15H ,2H2,1H3,(H,9,12)/b10-8-/ t4-,5-,6-,7-/m1/s1; NJBKCLCEXIDHDR-OANDGCGGSA-N |
CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO ; O=C(NC1C(=N\O)\OC(CO)C(O)C1O)C; CC(=O) N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO) O)O; CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@ @H](CO)OC\1=N\O; CC(=O)NC1C(C(C(OC1=NO)C O)O)O |
N-acetylglucosaminono-1,5-lactone (Z)-oxime; LOGNAC |
| 32425 | LOH | 0 | C6 H14 N2 O4 | InChI=1S/C6H14N2O4/c7-2-1 -3(9)5(10)4(8)6(11)12/h3- 5,9-10H,1-2,7-8H2,(H,11,1 2)/t3-,4-,5+/m0/s1; ALWBRQWTMGZSIM-VAYJURFESA-N |
C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O; N CC[CH](O)[CH](O)[CH](N)C(O)=O; NCC[C@H]( O)[C@@H](O)[C@H](N)C(O)=O; C(CN)C(C(C(C( =O)O)N)O)O |
3,4-dihydroxylysine |
| 32426 | LOI CHEMBL490961 DB08118 ZINC000039277809 |
1 | C15 H16 N6 O S2 | InChI=1S/C15H16N6OS2/c1-9 -7-23-14(18-9)19-13(22)11 -6-10(4-5-12(11)16-2)24-1 5-20-17-8-21(15)3/h4-8,16 H,1-3H3,(H,18,19,22); XRJAKERBMMBUGR-UHFFFAOYSA-N |
Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C; C Nc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3; O= C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC |
2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide |
| 32427 | LOJ CHEMBL4533049 |
1 | C21 H21 Cl2 N O3 | InChI=1S/C21H21Cl2NO3/c22 -16-5-6-17(18(23)9-16)15- 11-24(10-13-2-1-3-13)19-8 -14(21(25)26)4-7-20(19)27 -12-15/h4-9,13,15H,1-3,10 -12H2,(H,25,26)/t15-/m0/s 1; FLTAOBQLOVJBJL-HNNXBMFYSA-N |
c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3 Cl)Cl)CC4CCC4; OC(=O)c1ccc2OC[C@H](CN(CC 3CCC3)c2c1)c4ccc(Cl)cc4Cl; OC(=O)c1ccc2O C[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl; c1 cc2c(cc1C(=O)O)N(CC(CO2)c3ccc(cc3Cl)Cl)C C4CCC4; c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2) C(O)=O)ccc4Cl)Cl |
(3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid |
| 32428 | LOK ZINC000000476364 |
1 | C10 H12 N2 O4 | InChI=1S/C10H12N2O4/c1-15 -9(13)11-7-4-3-5-8(6-7)12 -10(14)16-2/h3-6H,1-2H3,( H,11,13)(H,12,14); BQFREXSKWBUSAP-UHFFFAOYSA-N |
COC(=O)Nc1cccc(c1)NC(=O)OC; COC(=O)Nc1cc cc(NC(=O)OC)c1 |
methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate |
| 32429 | LOL | 0 | C6 H15 N O2 | InChI=1S/C6H15NO2/c1-4(2) 3-5(7)6(8)9/h4-6,8-9H,3,7 H2,1-2H3/t5-/m0/s1; MUGBTWHZSATDPU-YFKPBYRVSA-N |
CC(C)C[C@@H](C(O)O)N; CC(C)C[C@H](N)C(O) O; OC(O)C(N)CC(C)C; CC(C)CC(C(O)O)N; CC( C)C[CH](N)C(O)O |
(2S)-2-amino-4-methylpentane-1,1-diol |
| 32430 | LOM CHEMBL15605 ZINC000001484626 |
0 | C3 H3 N S | InChI=1S/C3H3NS/c1-2-5-3- 4-1/h1-3H; FZWLAAWBMGSTSO-UHFFFAOYSA-N |
s1ccnc1; c1cscn1; n1ccsc1 | THIAZOLE |
| 32431 | LON CHEMBL312862 DB13318 ZINC000003872132 |
2 | C21 H25 N O5 | InChI=1S/C21H25NO5/c1-22- 15-8-6-12-10-18(25-3)20(2 6-4)21(27-5)19(12)13-7-9- 17(24-2)16(23)11-14(13)15 /h7,9-11,15,22H,6,8H2,1-5 H3/t15-/m0/s1; NNJPGOLRFBJNIW-HNNXBMFYSA-N |
CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13) OC)OC)OC)OC; CN[CH]1CCc2cc(OC)c(OC)c(OC) c2C3=CC=C(OC)C(=O)C=C13; CN[C@H]1CCc2cc( OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13; CN C1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC) OC)OC |
(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one |
| 32432 | LOO CHEMBL5417169 |
2 | C23 H23 F3 N2 O5 | InChI=1S/C23H23F3N2O5/c1- 13-9-15(10-14(2)19(13)33- 22(3,4)20(30)31)11-28-18( 29)12-27(21(28)32)17-7-5- 16(6-8-17)23(24,25)26/h5- 10H,11-12H2,1-4H3,(H,30,3 1); BIIFAYFKMQRXPQ-UHFFFAOYSA-N |
Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F )cc(C)c1OC(C)(C)C(O)=O; Cc1cc(cc(c1OC(C) (C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C( F)(F)F |
2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid |
| 32433 | LOP ZINC000064437180 |
86 | C35 H68 N O8 P | InChI=1S/C35H68NO8P/c1-3- 5-7-9-11-13-14-15-16-17-1 8-20-22-24-26-28-35(38)44 -33(32-43-45(39,40)42-30- 29-36)31-41-34(37)27-25-2 3-21-19-12-10-8-6-4-2/h15 -16,33H,3-14,17-32,36H2,1 -2H3,(H,39,40)/b16-15-/t3 3-/m1/s1; FUUNMZKPCMPCHT-ILGKRYBBSA-N |
CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC N)OC(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCC CC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)C CCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCC(=O)OCC (COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC ; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP (=O)(OCCN)O)CCCCCCCCCCC; CCCCCCCCCCCC(=O )OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC= CCCCCCCCC |
(1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE; LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE |
| 32434 | LOQ CHEMBL1078597 ZINC000000069314 |
1 | C11 H11 N O2 | InChI=1S/C11H11NO2/c1-8-2 -4-9(5-3-8)12-10(13)6-7-1 1(12)14/h2-5H,6-7H2,1H3; IDSFKFXFMNGXCK-UHFFFAOYSA-N |
Cc1ccc(cc1)N2C(=O)CCC2=O | 1-(4-methylphenyl)pyrrolidine-2,5-dione |
| 32435 | LOR ZINC000015529318 |
2 | C16 H18 Cl N3 O4 | InChI=1S/C16H18ClN3O4/c17 -10-6-7-11(19-14(10)16(23 )24)12(8-21)20-15(22)13(1 8)9-4-2-1-3-5-9/h1-5,8,10 -13H,6-7,18H2,(H,20,22)(H ,23,24)/t10-,11+,12+,13+/ m0/s1; DRTWKGBDHBOYMS-UMSGYPCISA-N |
N[CH](C(=O)N[CH](C=O)[CH]1CC[CH](Cl)C(=N 1)C(O)=O)c2ccccc2; c1ccc(cc1)C(C(=O)NC(C =O)C2CCC(C(=N2)C(=O)O)Cl)N; O=C(O)C2=NC( C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl; c1ccc(c c1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2 )C(=O)O)Cl)N; N[C@@H](C(=O)N[C@H](C=O)[C @H]1CC[C@H](Cl)C(=N1)C(O)=O)c2ccccc2 |
LORACABEF (Open form); (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid |
| 32436 | LOS DB03492 |
1 | C23 H19 N6 Os | InChI=1S/2C10H8N2.C3H3N2. Os/c2*1-3-7-11-9(5-1)10-6 -2-4-8-12-10;1-2-5-3-4-1; /h2*1-8H;1-3H;/q;;-1;+3; LHAHECCJWGXHOW-UHFFFAOYSA-N |
[Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc 5c6ccccn|26)n7ccnc7; n1ccn(c1)[Os+2]73(n 4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67; c1 cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC= [N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37 |
LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II) |
| 32437 | LOT | 5 | C9 H9 N3 O4 S | InChI=1S/C9H9N3O4S/c10-17 (15,16)6-1-2-7(11-5-6)12- 8(13)3-4-9(12)14/h1-2,5H, 3-4H2,(H2,10,15,16); LBSDOHDMKVMJLR-UHFFFAOYSA-N |
c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O; N[S]( =O)(=O)c1ccc(nc1)N2C(=O)CCC2=O |
6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide |
| 32438 | LOU | 0 | C13 H16 N2 O7 | InChI=1S/C13H16N2O7/c14-5 (12(20)21)3-13-2-1-6(22-1 3)8-9(13)11(19)15(10(8)18 )4-7(16)17/h5-6,8-9H,1-4, 14H2,(H,16,17)(H,20,21)/t 5-,6-,8+,9-,13-/m0/s1; IYFGLSSJYCLPBF-BNVRWGGXSA-N |
C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O )(=O)O; N[CH](C[C]12CC[CH](O1)[CH]3[CH]2 C(=O)N(CC(O)=O)C3=O)C(O)=O; N[C@@H](C[C@ ]12CC[C@H](O1)[C@@H]3[C@H]2C(=O)N(CC(O)= O)C3=O)C(O)=O; C1CC2(C3C(C1O2)C(=O)N(C3= O)CC(=O)O)CC(C(=O)O)N; C1C[C@@]2([C@H]3[ C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@ H](C(=O)O)N |
3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine |
| 32439 | LOV ZINC000006364559 |
0 | C12 H25 N O3 | InChI=1S/C12H25NO3/c1-7(2 )5-10(13)11(14)6-9(8(3)4) 12(15)16/h7-11,14H,5-6,13 H2,1-4H3,(H,15,16)/t9-,10 -,11-/m0/s1; MDQDVSMXVRRCRT-DCAQKATOSA-N |
CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O) O)N; O=C(O)C(C(C)C)CC(O)C(N)CC(C)C; CC(C )C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(O)=O; CC(C)CC(C(CC(C(C)C)C(=O)O)O)N; CC(C)C[C H](N)[CH](O)C[CH](C(C)C)C(O)=O |
5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID |
| 32440 | LOW ZINC000100009324 |
4 | C10 H17 N O | InChI=1S/C10H17NO/c11-9-2 -7-1-8(3-9)5-10(12,4-7)6- 9/h7-8,12H,1-6,11H2/t7-,8 +,9+,10-; DWPIPTNBOVJYAD-FIRGSJFUSA-N |
C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N; NC12C [CH]3C[CH](C1)CC(O)(C3)C2; C1C2CC3(CC1CC (C2)(C3)O)N; NC12C[C@@H]3C[C@H](C1)CC(O) (C3)C2 |
(5~{S},7~{R})-3-azanyladamantan-1-ol |
| 32441 | LOX DB01921 ZINC000036766387 |
1 | C5 H10 N2 O4 | InChI=1S/C5H10N2O4/c8-2-1 -6-5(7-11)4(10)3(2)9/h2-4 ,8-11H,1H2,(H,6,7)/t2-,3+ ,4-/m1/s1; JDBSITHMKSTORG-FLRLBIABSA-N |
ON=C1NC[CH](O)[CH](O)[CH]1O; O/N=C/1NC[C @@H](O)[C@H](O)[C@H]/1O; C1C(C(C(C(=NO)N 1)O)O)O; OC1C(=N\O)\NCC(O)C1O; C1[C@H]([ C@@H]([C@H](/C(=N/O)/N1)O)O)O |
(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol; 3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME |
| 32442 | LOY | 0 | C27 H44 N9 O11 P S2 | InChI=1S/C27H44N9O11PS2/c 1-27(2,12-46-48(42)43)22( 40)25(41)31-7-5-18(37)30- 8-9-49-17(15-4-3-6-29-15) 11-50(44,45)35-10-16-20(3 8)21(39)26(47-16)36-14-34 -19-23(28)32-13-33-24(19) 36/h13-17,20-22,26,29,35, 38-40H,3-12H2,1-2H3,(H,30 ,37)(H,31,41)(H2,28,32,33 )/t15-,16-,17+,20-,21-,22 +,26-/m1/s1; UUZQPBPCNSKBOR-NZQKSRFZSA-N |
CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS( =O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C 4CCCN4)O; CC(C)(COP(=O)=O)[C@H](C(=O)NCC C(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H] ([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H ]4CCCN4)O; CC(C)(CO[P](=O)=O)[CH](O)C(=O )NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[C H]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4C CCN4; N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3 c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)= O)(C)C)O)=O)=O; CC(C)(CO[P](=O)=O)[C@@H] (O)C(=O)NCCC(=O)NCCS[C@@H](C[S](=O)(=O)N C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N )ncnc23)[C@H]4CCCN4 |
5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine |
| 32443 | LOZ ZINC000095920906 |
4 | C22 H24 N2 O5 | InChI=1S/C22H24N2O5/c23-9 -3-6-19(25)24-17-11-13-4- 1-2-5-15(13)16(17)10-14-7 -8-18-21(29-12-28-18)20(1 4)22(26)27/h1-2,4-5,7-8,1 6-17H,3,6,9-12,23H2,(H,24 ,25)(H,26,27)/t16-,17+/m0 /s1; JAXONHRCCIOGKL-DLBZAZTESA-N |
c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O) O)OCO4)NC(=O)CCCN; NCCCC(=O)N[C@@H]1Cc2c cccc2[C@@H]1Cc3ccc4OCOc4c3C(O)=O; c1ccc2 c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)C CCN; NCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc 4OCOc4c3C(O)=O; O=C(NC2Cc1ccccc1C2Cc3ccc 4OCOc4c3C(=O)O)CCCN |
5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
| 32444 | LP0 | 4 | C10 H16 B N4 O9 P S | InChI=1S/C10H16BN4O9PS/c1 -10(2,8(17)18)23-15-6(5-3 -26-9(12)14-5)7(16)13-4-1 1(19)24-25(20,21)22/h3,19 H,4H2,1-2H3,(H2,12,14)(H, 13,16)(H,17,18)(H2,20,21, 22)/b15-6-; NLJWLRKAKQZXHE-UUASQNMZSA-N |
B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)( O)OP(=O)(O)O; B(CNC(=O)/C(=N\OC(C)(C)C(= O)O)/c1csc(n1)N)(O)OP(=O)(O)O; CC(C)(ON= C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O )=O; CC(C)(O\N=C(/C(=O)NCB(O)O[P](O)(O)= O)c1csc(N)n1)C(O)=O; OP(O)(=O)OB(O)CNC(\ C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O |
(7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid |
| 32445 | LP1 ZINC000085533286 |
4 | C45 H58 N6 O7 | InChI=1S/C45H58N6O7/c1-7- 35(43(56)50-37(42(46)55)2 3-31-18-12-16-29-14-8-10- 20-33(29)31)48-40(54)25-3 9(53)36(22-26(2)3)49-45(5 8)41(27(4)5)51-44(57)38(4 7-28(6)52)24-32-19-13-17- 30-15-9-11-21-34(30)32/h8 -21,26-27,35-39,41,53H,7, 22-25H2,1-6H3,(H2,46,55)( H,47,52)(H,48,54)(H,49,58 )(H,50,56)(H,51,57)/t35-, 36-,37-,38-,39-,41-/m0/s1; ACPDNLLISIAERE-ZYWZKTPASA-N |
CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@ @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H] ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(= O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c 3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3 cccc4ccccc34)C(N)=O |
4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE |
| 32446 | LP2 | 0 | C45 H58 N6 O7 | InChI=1/C45H58N6O7/c1-7-3 5(43(56)50-37(42(46)55)23 -31-18-12-16-29-14-8-10-2 0-33(29)31)48-40(54)25-39 (53)36(22-26(2)3)49-45(58 )41(27(4)5)51-44(57)38(47 -28(6)52)24-32-19-13-17-3 0-15-9-11-21-34(30)32/h8- 21,26-27,35-39,41,53H,7,2 2-25H2,1-6H3,(H2,46,55)(H ,47,52)(H,48,54)(H,49,58) (H,50,56)(H,51,57)/t35-,3 6-,37-,38-,39-,41-/m0/s1/ f/h47-51H,46H2; ACPDNLLISIAERE-GQSHMDMSDG |
CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@ @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H] ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(= O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c 3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3 cccc4ccccc34)C(N)=O |
N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALANINYL-VALINYL]-AMINO-[1-[2-METHYL-PROPANYL]-2-HYDROXY-PROPAN-3-YL]-CARBONYL]-3-METHYL-ALANYL]-3-NAPHTYL-ALANYL-AMINE |
| 32447 | LP3 ZINC000032822175 |
12 | C26 H55 N O7 P | InChI=1S/C26H54NO7P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-17-18-19-20-26(29)32- 23-25(28)24-34-35(30,31)3 3-22-21-27(2,3)4/h25,28H, 5-24H2,1-4H3/p+1/t25-/m1/ s1; IHNKQIMGVNPMTC-RUZDIDTESA-O |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O) (O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)(O CC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCC CCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC C[N+](C)(C)C; CCCCCCCCCCCCCCCCCC(=O)OC[C @@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C; CCC CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+] (C)(C)C)O |
(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE |
| 32448 | LP4 ZINC000098209125 |
12 | C34 H66 N O12 P | InChI=1S/C34H66NO12P/c1-3 -5-7-9-11-13-15-17-19-21- 26(37)23-29(39)35-31-33(3 2(47-48(42,43)44)28(25-36 )45-34(31)41)46-30(40)24- 27(38)22-20-18-16-14-12-1 0-8-6-4-2/h26-28,31-34,36 -38,41H,3-25H2,1-2H3,(H,3 5,39)(H2,42,43,44)/t26-,2 7-,28-,31-,32-,33-,34-/m1 /s1; AJRPJFBMHCTNGK-XQJZMFRCSA-N |
CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@ @H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C [C@@H](CCCCCCCCCCC)O)O; CCCCCCCCCCC[C@@H ](O)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H ](O[P](O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCC CCCCCCCC; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC 1O)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O) O; CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O) O[CH](CO)[CH](O[P](O)(O)=O)[CH]1OC(=O)C[ CH](O)CCCCCCCCCCC; O=P(O)(O)OC1C(OC(O)C( NC(=O)CC(O)CCCCCCCCCCC)C1OC(=O)CC(O)CCCC CCCCCCC)CO |
2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose |
| 32449 | LP5 ZINC000058650130 |
36 | C34 H66 N O12 P | InChI=1S/C34H66NO12P/c1-3 -5-7-9-11-13-15-17-19-21- 26(37)23-29(39)35-31-33(3 2(41)28(25-36)45-34(31)47 -48(42,43)44)46-30(40)24- 27(38)22-20-18-16-14-12-1 0-8-6-4-2/h26-28,31-34,36 -38,41H,3-25H2,1-2H3,(H,3 5,39)(H2,42,43,44)/t26-,2 7-,28-,31-,32-,33-,34-/m1 /s1; HEHQDWUWJVPREQ-XQJZMFRCSA-N |
CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O [C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O) CCCCCCCCCCC)O[P](O)(O)=O; CCCCCCCCCCC[C@ H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@ @H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCC CCCCC)O)O; O=P(OC1OC(C(O)C(OC(=O)CC(O)CC CCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O )O; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O )(O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCC CCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO )[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O [P](O)(O)=O |
(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE |
| 32450 | LP6 ZINC000058650291 |
0 | C11 H22 N2 O2 | InChI=1S/C11H22N2O2/c12-1 0(11(14)15)6-2-5-9-13-7-3 -1-4-8-13/h10H,1-9,12H2,( H,14,15)/t10-/m0/s1; UCDGEGRDGSSPQT-JTQLQIEISA-N |
N[C@@H](CCCCN1CCCCC1)C(O)=O; C1CCN(CC1)C CCCC(C(=O)O)N; C1CCN(CC1)CCCC[C@@H](C(=O )O)N; N[CH](CCCCN1CCCCC1)C(O)=O; O=C(O)C (N)CCCCN1CCCCC1 |
6-piperidin-1-yl-L-norleucine |
| 32451 | LP7 ZINC000058650134 |
1 | C11 H12 N2 O5 | InChI=1S/C11H12N2O5/c1-2- 18-11(16)7-8(14)6-4-3-5-1 2-9(6)13(17)10(7)15/h3-5, 7-8,14,17H,2H2,1H3/t7-,8- /m0/s1; MTVPGFFXVTZGIM-YUMQZZPRSA-N |
CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O; CCOC (=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O; CCO C(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O; CCOC( =O)C1C(c2cccnc2N(C1=O)O)O |
ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate |
| 32452 | LP8 ZINC000103548756 |
1 | C13 H14 N2 O3 | InChI=1S/C13H14N2O3/c16-1 1-9-6-3-7-14-12(9)15(18)1 3(17)10(11)8-4-1-2-5-8/h3 ,6-8,16,18H,1-2,4-5H2; QHMJHXXRZXAFLA-UHFFFAOYSA-N |
c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O; ON1C (=O)C(=C(O)c2cccnc12)C3CCCC3 |
3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one |
| 32453 | LP9 ZINC000103548763 |
3 | C21 H23 N3 O6 | InChI=1S/C21H23N3O6/c1-4- 23(5-2)13-7-9-14(10-8-13) 30-15-11-16-18(25)17(21(2 7)29-6-3)20(26)24(28)19(1 6)22-12-15/h7-12,25,28H,4 -6H2,1-3H3; ZAOGVQGDYHKJCT-UHFFFAOYSA-N |
CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C 3O)C(=O)OCC)O; CCOC(=O)C1=C(O)c2cc(Oc3cc c(cc3)N(CC)CC)cnc2N(O)C1=O |
3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium |
| 32454 | LPA CHEMBL134342 DB00166 ZINC000001544807 |
15 | C8 H14 O2 S2 | InChI=1S/C8H14O2S2/c9-8(1 0)4-2-1-3-7-5-6-11-12-7/h 7H,1-6H2,(H,9,10)/t7-/m1/ s1; AGBQKNBQESQNJD-SSDOTTSWSA-N |
C1CSS[C@@H]1CCCCC(=O)O; OC(=O)CCCC[CH]1C CSS1; C1CSSC1CCCCC(=O)O; OC(=O)CCCC[C@@H ]1CCSS1; O=C(O)CCCCC1SSCC1 |
LIPOIC ACID; 5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid |
| 32455 | LPB CHEMBL1234071 ZINC000001532729 |
1 | C8 H14 O2 S2 | InChI=1S/C8H14O2S2/c9-8(1 0)4-2-1-3-7-5-6-11-12-7/h 7H,1-6H2,(H,9,10)/t7-/m0/ s1; AGBQKNBQESQNJD-ZETCQYMHSA-N |
OC(=O)CCCC[CH]1CCSS1; C1CSSC1CCCCC(=O)O; C1CSS[C@H]1CCCCC(=O)O; OC(=O)CCCC[C@H]1 CCSS1; O=C(O)CCCCC1SSCC1 |
5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid |
| 32456 | LPC ZINC000015297567 |
24 | C22 H47 N O7 P | InChI=1S/C22H46NO7P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-22(25)28-19-21(24)20- 30-31(26,27)29-18-17-23(2 ,3)4/h21,24H,5-20H2,1-4H3 /p+1/t21-/m1/s1; VXUOFDJKYGDUJI-OAQYLSRUSA-O |
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]( C)(C)C)O; CCCCCCCCCCCCCC(=O)OC[C@@H](O)C O[P@@](O)(=O)OCC[N+](C)(C)C; CCCCCCCCCCC CCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C )C)O; CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O )(=O)OCC[N+](C)(C)C; O=C(OCC(O)COP(=O)(O CC[N+](C)(C)C)O)CCCCCCCCCCCCC |
[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE |
| 32457 | LPD CHEMBL1222059 ZINC000000391898 |
10 | C5 H10 N2 O | InChI=1S/C5H10N2O/c6-5(8) 4-2-1-3-7-4/h4,7H,1-3H2,( H2,6,8)/t4-/m0/s1; VLJNHYLEOZPXFW-BYPYZUCNSA-N |
NC(=O)[CH]1CCCN1; NC(=O)[C@@H]1CCCN1; C1 CC(NC1)C(=O)N; C1C[C@H](NC1)C(=O)N; O=C( N)C1NCCC1 |
L-PROLINAMIDE |
| 32458 | LPE DB03633 ZINC000008860508 |
260 | C26 H57 N O6 P | InChI=1S/C26H56NO6P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-17-18-19-20-22-31-24- 26(28)25-33-34(29,30)32-2 3-21-27(2,3)4/h26,28H,5-2 5H2,1-4H3/p+1/t26-/m1/s1; XKBJVQHMEXMFDZ-AREMUKBSSA-O |
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]( C)(C)C)O; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P @@](=O)(O)OCC[N+](C)(C)C)O; O=P(OCC(O)CO CCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CC CCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O) OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCCCOC[CH] (O)CO[P](O)(=O)OCC[N+](C)(C)C |
1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE; LPC-ETHER |
| 32459 | LPF DB08119 |
2 | C18 H23 F3 N2 O3 | InChI=1S/C18H23F3N2O3/c1- 11(2)9-15(22-12(3)24)17(2 6)23-14(16(25)18(19,20)21 )10-13-7-5-4-6-8-13/h4-8, 11,14-15H,9-10H2,1-3H3,(H ,22,24)(H,23,26)/t14-,15- /m0/s1; MZNXJCZDQRNGRC-GJZGRUSLSA-N |
CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F) NC(=O)C; CC(C)C[CH](NC(C)=O)C(=O)N[CH](C c1ccccc1)C(=O)C(F)(F)F; FC(F)(F)C(=O)C(N C(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1; CC(C)C[ C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O )C(F)(F)F; CC(C)C[C@@H](C(=O)N[C@@H](Cc1 ccccc1)C(=O)C(F)(F)F)NC(=O)C |
1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) |
| 32460 | LPG DB04217 |
1 | C4 H5 N O2 | InChI=1S/C4H5NO2/c1-2-3(5 )4(6)7/h1,3H,5H2,(H,6,7)/ t3-/m0/s1; DSUAJFIEKRKPEE-VKHMYHEASA-N |
C#CC(C(=O)O)N; N[CH](C#C)C(O)=O; N[C@@H] (C#C)C(O)=O; C#C[C@@H](C(=O)O)N; C#CC(N) C(=O)O |
(2S)-2-aminobut-3-ynoic acid; 2-AMINO-BUT-3-YNOIC ACID; 2-amino-3-butynoic acid |
| 32461 | LPH CHEMBL50483 ZINC000002046243 |
1 | C5 H7 N O2 | InChI=1S/C5H7NO2/c1-2-3-4 (6)5(7)8/h1,4H,3,6H2,(H,7 ,8)/t4-/m0/s1; DGYHPLMPMRKMPD-BYPYZUCNSA-N |
N[C@@H](CC#C)C(O)=O; N[CH](CC#C)C(O)=O; O=C(O)C(N)CC#C; C#CC[C@@H](C(=O)O)N; C#C CC(C(=O)O)N |
L-Propargylglycine; (2S)-2-aminopent-4-ynoic acid |
| 32462 | LPI | 4 | C13 H21 N2 O7 P S | InChI=1S/C13H21N2O7PS/c1- 8-12(16)10(6-15-11(13(17) 18)3-4-24-2)9(5-14-8)7-22 -23(19,20)21/h5,11,15-16H ,3-4,6-7H2,1-2H3,(H,17,18 )(H2,19,20,21)/t11-/m0/s1; TZGVKKRKUOYYOG-NSHDSACASA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCSC)C(=O)O )O; O=P(O)(O)OCc1cnc(c(c1CNC(CCSC)C(O)=O )O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]( CCSC)C(=O)O)O; CSCC[C@H](NCc1c(O)c(C)ncc 1CO[P](O)(O)=O)C(O)=O; CSCC[CH](NCc1c(O) c(C)ncc1CO[P](O)(O)=O)C(O)=O |
N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine |
| 32463 | LPJ | 4 | Fe6 S7 | InChI=1S/6Fe.7S; KLKIXVGTRIXICL-UHFFFAOYSA-N |
S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2; S 1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[ Fe]3S5 |
FE(6)-S(7) CLUSTER |
| 32464 | LPK ZINC000005131823 |
1 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3(9 )5(11)6(12)4(10)2-8/h3,5- 9,11-12H,1-2H2/t3-,5-,6+/ m0/s1; BJHIKXHVCXFQLS-ZXEDONINSA-N |
O=C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O )O)O)O; OC[C@H](O)[C@H](O)[C@H](O)C(=O)C O; OC[CH](O)[CH](O)[CH](O)C(=O)CO; C([C@ @H]([C@@H]([C@@H](C(=O)CO)O)O)O)O |
L-psicose |
| 32465 | LPL ZINC000058638979 |
0 | C13 H27 N O3 | InChI=1S/C13H27NO3/c1-8(2 )5-10(13(16)17)7-12(15)11 (14)6-9(3)4/h8-12,15H,5-7 ,14H2,1-4H3,(H,16,17)/t10 -,11+,12+/m1/s1; VQUMYZBNWKMCTB-WOPDTQHZSA-N |
CC(C)C[C@H](N)[C@@H](O)C[C@@H](CC(C)C)C( O)=O; CC(C)CC(CC(C(CC(C)C)N)O)C(=O)O; CC (C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O) O; O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C; CC(C) C[CH](N)[CH](O)C[CH](CC(C)C)C(O)=O |
LEU-HYDROXYETHYLENE-LEU |
| 32466 | LPM DB08120 ZINC000003869863 |
1 | C8 H17 N O S2 | InChI=1S/C8H17NOS2/c9-8(1 0)4-2-1-3-7(12)5-6-11/h7, 11-12H,1-6H2,(H2,9,10)/t7 -/m1/s1; VLYUGYAKYZETRF-SSDOTTSWSA-N |
NC(=O)CCCC[CH](S)CCS; O=C(N)CCCCC(S)CCS; C(CCC(=O)N)CC(CCS)S; C(CCC(=O)N)C[C@H]( CCS)S; NC(=O)CCCC[C@@H](S)CCS |
6,8-DIMERCAPTO-OCTANOIC ACID AMIDE |
| 32467 | LPN CHEMBL1269671 ZINC000072147637 |
3 | C35 H41 Cl3 N2 O4 | InChI=1S/C35H41Cl3N2O4/c1 -23-18-32(37)34(33(38)19- 23)44-17-16-43-28-10-6-25 (7-11-28)29-13-14-39-21-3 0(29)35(41)40(27-8-9-27)2 2-26-20-24(4-3-15-42-2)5- 12-31(26)36/h5-7,10-12,18 -20,27,29-30,39H,3-4,8-9, 13-17,21-22H2,1-2H3/t29-, 30+/m1/s1; RDCUZWVELSAOBC-IHLOFXLRSA-N |
O=C(N(C1CC1)Cc2cc(ccc2Cl)CCCOC)C5C(c4ccc (OCCOc3c(Cl)cc(cc3Cl)C)cc4)CCNC5; Cc1cc( c(c(c1)Cl)OCCOc2ccc(cc2)C3CCNCC3C(=O)N(C c4cc(ccc4Cl)CCCOC)C5CC5)Cl; Cc1cc(c(c(c1 )Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O) N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl; COCCCc1cc c(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3c4 ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1; COCCCc 1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[CH]3c4 ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1 |
(3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide |
| 32468 | LPO CHEMBL1234078 ZINC000058638981 |
4 | C33 H38 Cl3 N3 O5 | InChI=1S/C33H38Cl3N3O5/c1 -21-15-28(35)31(29(36)16- 21)44-14-13-43-30-8-4-24( 18-38-30)33(41)10-11-37-1 9-26(33)32(40)39(25-5-6-2 5)20-23-17-22(9-12-42-2)3 -7-27(23)34/h3-4,7-8,15-1 8,25-26,37,41H,5-6,9-14,1 9-20H2,1-2H3/t26-,33+/m1/ s1; ACRSSIRQZLKXJN-NYFMKLKXSA-N |
Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3(CCNCC3C (=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl; Cc1c c(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@ H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl; COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[C ]3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1; O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4 ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5; COC Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@] 3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1 |
(3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide; (3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide |
| 32469 | LPP ZINC000008860533 |
0 | C35 H69 O8 P | InChI=1S/C35H69O8P/c1-3-5 -7-9-11-13-15-17-19-21-23 -25-27-29-34(36)41-31-33( 32-42-44(38,39)40)43-35(3 7)30-28-26-24-22-20-18-16 -14-12-10-8-6-4-2/h33H,3- 32H2,1-2H3,(H2,38,39,40)/ t33-/m1/s1; PORPENFLTBBHSG-MGBGTMOVSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O) OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC( =O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCC CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P] (O)(O)=O)OC(=O)CCCCCCCCCCCCCCC; O=P(O)(O CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC CCCCCCC)O; CCCCCCCCCCCCCCCC(=O)OCC(COP(= O)(O)O)OC(=O)CCCCCCCCCCCCCCC |
2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE; 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE; L-B,G-DIPALMITOYL-A-PHOSPHATIDIC ACID DISODIUM SALT; 3-SN-PHOSPHATIDIC ACID; 1,2-DIPALMITOYLDISODIUM SALT |
| 32470 | LPQ ZINC000058638984 |
4 | C34 H39 Cl3 N4 O3 | InChI=1S/C34H39Cl3N4O3/c1 -21-14-30(36)33(31(37)15- 21)44-13-12-43-32-9-3-23( 18-40-32)27-10-11-38-19-2 8(27)34(42)41(26-6-7-26)2 0-24-16-22(2-8-29(24)35)1 7-39-25-4-5-25/h2-3,8-9,1 4-16,18,25-28,38-39H,4-7, 10-13,17,19-20H2,1H3/t27- ,28+/m1/s1; MUNGQQYSICIEKG-IZLXSDGUSA-N |
Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC [C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6 )Cl; Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3CCN CC3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl; Cc1cc(Cl)c(OCCOc2ccc(cn2)[C@H]3CCNC[C@@ H]3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(C l)c1; O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C 6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6 ; Cc1cc(Cl)c(OCCOc2ccc(cn2)[CH]3CCNC[CH] 3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(Cl) c1 |
(3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide; (3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide |
| 32471 | LPR CHEMBL1237 DB00722 ZINC000003812863 |
6 | C21 H31 N3 O5 | InChI=1S/C21H31N3O5/c22-1 3-5-4-9-16(19(25)24-14-6- 10-18(24)21(28)29)23-17(2 0(26)27)12-11-15-7-2-1-3- 8-15/h1-3,7-8,16-18,23H,4 -6,9-14,22H2,(H,26,27)(H, 28,29)/t16-,17-,18-/m0/s1; RLAWWYSOJDYHDC-BZSNNMDCSA-N |
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(= O)N2CCC[C@H]2C(O)=O; NCCCC[CH](N[CH](CCc 1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O; O= C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCC N)CCC2; c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H ](CCCCN)C(=O)N2CCC[C@H]2C(=O)O; c1ccc(cc 1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O |
[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE; LISINOPRIL |
| 32472 | LPS DB04136 ZINC000038377594 |
2 | C21 H44 N O9 P | InChI=1S/C21H44NO9P/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -14-20(24)29-15-18(23)16- 30-32(27,28)31-17-19(22)2 1(25)26/h18-20,23-24H,2-1 7,22H2,1H3,(H,25,26)(H,27 ,28)/t18-,19+,20-/m1/s1; RPZLJDFLPRHXGM-HSALFYBXSA-N |
CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(= O)OC[CH](N)C(O)=O; CCCCCCCCCCCCCC[C@H](O )OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O) =O; CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC( C(=O)O)N)O; O=C(O)C(N)COP(=O)(OCC(O)COC( O)CCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC(O)OC [C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O |
O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE; LYSOPHOSPHOTIDYLSERINE |
| 32473 | LPT | 0 | C6 H16 N2 Pt | InChI=1S/C6H13N.H3N.Pt/c7 -6-4-2-1-3-5-6;;/h6H,1-5, 7H2;1H3;/q;;+2; QJZANKJSFCKQEM-UHFFFAOYSA-N |
C1CCC(CC1)[NH2][Pt+2][NH3]; N.[Pt++].NC1 CCCCC1 |
CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX |
| 32474 | LPU ZINC000019780673 |
7 | C6 H13 N O3 S | InChI=1S/C6H13NO3S/c1-11( 9,10)7-4-2-6(8)3-5-7/h6,8 H,2-5H2,1H3; UPEFDWJLNXWMOW-UHFFFAOYSA-N |
C[S](=O)(=O)N1CCC(O)CC1; CS(=O)(=O)N1CCC (CC1)O; OC1CCN(CC1)S(=O)(C)=O |
1-(methanesulfonyl)piperidin-4-ol |
| 32475 | LPV | 0 | C24 H34 N2 O3 | InChI=1S/C24H34N2O3/c1-3- 4-8-19-11-13-22(14-12-19) 29-16-15-21(17-20-9-6-5-7 -10-20)26-24(28)23(27)18( 2)25/h5-7,9-14,18,21,23,2 7H,3-4,8,15-17,25H2,1-2H3 ,(H,26,28)/t18-,21-,23+/m 0/s1; NJJDDOXTSSONSJ-AVCGJXAMSA-N |
CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O )[CH](C)N)cc1; CCCCc1ccc(cc1)OCC[C@@H](C c2ccccc2)NC(=O)[C@@H]([C@H](C)N)O; CCCCc 1ccc(OCC[C@@H](Cc2ccccc2)NC(=O)[C@H](O)[ C@H](C)N)cc1; CCCCc1ccc(cc1)OCCC(Cc2cccc c2)NC(=O)C(C(C)N)O |
(2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide |
| 32476 | LPW CHEMBL584365 ZINC000045321374 |
2 | C21 H19 N O5 S | InChI=1S/C21H19NO5S/c1-27 -18-10-6-15(7-11-18)16-8- 12-19(13-9-16)28(25,26)20 -5-3-2-4-17(20)14-21(23)2 2-24/h2-13,24H,14H2,1H3,( H,22,23); DJZNIZCARKSSDE-UHFFFAOYSA-N |
COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc 3CC(=O)NO; COc1ccc(cc1)c2ccc(cc2)S(=O)(= O)c3ccccc3CC(=O)NO |
2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide |
| 32477 | LPX ZINC000032840705 |
30 | C21 H44 N O7 P | InChI=1S/C21H44NO7P/c1-2- 3-4-5-6-7-8-9-10-11-12-13 -14-15-21(24)27-18-20(23) 19-29-30(25,26)28-17-16-2 2/h20,23H,2-19,22H2,1H3,( H,25,26)/t20-/m0/s1; YVYMBNSKXOXSKW-FQEVSTJZSA-N |
O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC ; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O )(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OCC(COP( =O)(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OC[C@H ](O)CO[P@@](O)(=O)OCCN; CCCCCCCCCCCCCCCC (=O)OC[CH](O)CO[P](O)(=O)OCCN |
(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate |
| 32478 | LPY ZINC000263620935 |
2 | C22 H43 O12 P | InChI=1S/C22H43O12P/c1-2- 3-4-5-6-7-8-9-10-11-12-16 (24)32-13-15(23)14-33-35( 30,31)34-22-20(28)18(26)1 7(25)19(27)21(22)29/h15,1 7-23,25-29H,2-14H2,1H3,(H ,30,31)/t15-,17-,18-,19+, 20-,21-,22-/m1/s1; QGSQXOJTKFYHRK-FBYKMOGESA-N |
CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C( C(C1O)O)O)O)O)O; CCCCCCCCCCCCC(=O)OC[C@@ H](O)CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O )[C@H](O)[C@@H](O)[C@H]1O; CCCCCCCCCCCCC (=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C( [C@H]([C@H]1O)O)O)O)O)O; CCCCCCCCCCCCC(= O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH] (O)[CH](O)[CH](O)[CH]1O; P(OC1C(O)C(O)C( O)C(O)C1O)(O)(=O)OCC(O)COC(=O)CCCCCCCCCC CC |
(2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate; sn-1-tridecanoyl-phosphatidylinositol |
| 32479 | LPZ | 5 | C14 H21 N2 O2 | InChI=1S/C14H20N2O2/c1-12 -3-5-13(6-4-12)18-11-14(1 7)16-9-7-15(2)8-10-16/h3- 6H,7-11H2,1-2H3/p+1; GIIIJZOPGUFGBF-UHFFFAOYSA-O |
C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2; Cc1cc c(cc1)OCC(=O)N2CC[NH+](CC2)C |
2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
| 32480 | LQ0 | 1 | C16 H14 Cl N3 O | InChI=1S/C16H14ClN3O/c1-1 1-4-6-18-9-14(11)19-16(21 )10-20-7-5-12-2-3-13(17)8 -15(12)20/h2-9H,10H2,1H3, (H,19,21); YPZKHKYPLKRQED-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cn2ccc3ccc(Cl)cc23; Cc1cc ncc1NC(=O)Cn2ccc3c2cc(cc3)Cl; Cc1ccncc1N C(=O)Cn1ccc2ccc(Cl)cc21 |
2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 32481 | LQ2 CHEMBL335258 ZINC000001494945 |
1 | C8 H7 N O3 | InChI=1S/C8H7NO3/c9-7(10) 5-1-3-6(4-2-5)8(11)12/h1- 4H,(H2,9,10)(H,11,12); JMHSCWJIDIKGNZ-UHFFFAOYSA-N |
c1cc(ccc1C(=O)N)C(=O)O; NC(=O)c1ccc(cc1) C(O)=O |
4-aminocarbonylbenzoic acid |
| 32482 | LQ3 | 4 | C6 H5 F2 N O2 | InChI=1S/C6H5F2NO2/c7-6(8 )11-4-1-2-5(10)9-3-4/h1-4 ,6H/t4-/m0/s1; LTVXNUWMTTYHRL-BYPYZUCNSA-N |
FC(F)O[C@H]1C=CC(=O)N=C1; O=C1C=CC(OC(F) F)C=N1; C1=CC(=O)N=CC1OC(F)F; FC(F)O[CH] 1C=CC(=O)N=C1 |
(5S)-5-(difluoromethoxy)pyridin-2(5H)-one |
| 32483 | LQ4 CHEMBL465843 ZINC000000899053 |
8 | C17 H19 N O5 | InChI=1S/C17H19NO5/c1-21- 13-10-12(11-14(22-2)17(13 )23-3)7-8-16(20)18-9-5-4- 6-15(18)19/h4,6-8,10-11H, 5,9H2,1-3H3/b8-7+; VABYUUZNAVQNPG-BQYQJAHWSA-N |
C2C=CC(N(C([C@H]=[C@H]c1cc(OC)c(c(c1)OC) OC)=O)C2)=O; COc1cc(cc(c1OC)OC)/C=C/C(=O )N2CCC=CC2=O; COc1cc(C=CC(=O)N2CCC=CC2=O )cc(OC)c1OC; COc1cc(cc(c1OC)OC)C=CC(=O)N 2CCC=CC2=O; COc1cc(/C=C/C(=O)N2CCC=CC2=O )cc(OC)c1OC |
piperlongumine; 1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-5,6-dihydropyridin-2(1H)-one |
| 32484 | LQ5 CHEMBL4472486 ZINC000139929867 |
2 | C24 H26 F3 N7 O2 | InChI=1S/C24H26F3N7O2/c1- 33-10-12-34(13-11-33)15-1 6-2-3-18(14-20(16)24(25,2 6)27)31-23(35)30-17-4-6-1 9(7-5-17)36-21-8-9-29-22( 28)32-21/h2-9,14H,10-13,1 5H2,1H3,(H2,28,29,32)(H2, 30,31,35); PWDLXPJQFNVTNL-UHFFFAOYSA-N |
CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3c cc(cc3)Oc4ccnc(n4)N; CN1CCN(CC1)Cc2ccc(N C(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F |
1-[4-(2-azanylpyrimidin-4-yl)oxyphenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea |
| 32485 | LQ6 CHEMBL5204987 |
1 | C21 H19 Cl2 N5 O4 S | InChI=1S/C21H19Cl2N5O4S/c 22-14-4-3-12(8-15(14)23)2 8-6-5-27(20(31)16-9-18(29 )26-21(32)25-16)11-17(28) 19(30)24-10-13-2-1-7-33-1 3/h1-4,7-9,17H,5-6,10-11H 2,(H,24,30)(H2,25,26,29,3 2)/t17-/m0/s1; PBLOKSLGZKWIQI-KRWDZBQOSA-N |
c1cc(sc1)CNC(=O)C2CN(CCN2c3ccc(c(c3)Cl)C l)C(=O)C4=CC(=O)NC(=O)N4; c1cc(sc1)CNC(= O)[C@@H]2CN(CCN2c3ccc(c(c3)Cl)Cl)C(=O)C4 =CC(=O)NC(=O)N4; Clc1ccc(cc1Cl)N2CCN(C[C H]2C(=O)NCc3sccc3)C(=O)C4=CC(=O)NC(=O)N4 ; Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sc cc3)C(=O)C4=CC(=O)NC(=O)N4 |
(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
| 32486 | LQ7 CHEMBL1289953 ZINC000035076019 |
8 | C23 H26 N2 O2 S | InChI=1S/C23H26N2O2S/c1-1 8-7-4-8-19(15-18)17-27-22 -11-3-2-10-21(22)23(26)25 (13-6-12-24)16-20-9-5-14- 28-20/h2-5,7-11,14-15H,6, 12-13,16-17,24H2,1H3; LCQJRANJHOEQFG-UHFFFAOYSA-N |
C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3 )CCCN; Cc1cccc(c1)COc2ccccc2C(=O)N(CCCN) Cc3cccs3; Cc1cccc(COc2ccccc2C(=O)N(CCCN) Cc3sccc3)c1 |
N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide |
| 32487 | LQ8 CHEMBL4636738 |
1 | C28 H30 N2 O7 | InChI=1S/C28H30N2O7/c31-1 4-15-37-24-11-5-10-17-18( 24)12-13-29(25(32)21-8-3- 4-9-22(21)28(35)36)23(17) 16-30-26(33)19-6-1-2-7-20 (19)27(30)34/h1-2,5-7,10- 11,21-23,31H,3-4,8-9,12-1 6H2,(H,35,36)/t21-,22+,23 -/m1/s1; OAFSXLXCZSBCHE-XPWALMASSA-N |
c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C (=O)C5CCCCC5C(=O)O)OCCO; OCCOc1cccc2[C@@ H](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[C@ @H]5CCCC[C@@H]5C(O)=O; c1ccc2c(c1)C(=O)N (C2=O)C[C@@H]3c4cccc(c4CCN3C(=O)[C@@H]5C CCC[C@@H]5C(=O)O)OCCO; OCCOc1cccc2[CH](C N3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CC CC[CH]5C(O)=O |
(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid |
| 32488 | LQ9 CHEMBL4788669 |
4 | C16 H15 F3 N6 O3 | InChI=1S/C16H15F3N6O3/c1- 8(21-14(26)10-7-11(16(17, 18)19)23-25(10)2)15-22-13 (24-28-15)9-4-5-20-12(6-9 )27-3/h4-8H,1-3H3,(H,21,2 6)/t8-/m0/s1; HBUQPGAOVFRJMM-QMMMGPOBSA-N |
C[C@@H](c1nc(no1)c2ccnc(c2)OC)NC(=O)c3cc (nn3C)C(F)(F)F; CC(c1nc(no1)c2ccnc(c2)OC )NC(=O)c3cc(nn3C)C(F)(F)F; COc1cc(ccn1)c 2noc(n2)[CH](C)NC(=O)c3cc(nn3C)C(F)(F)F; COc1cc(ccn1)c2noc(n2)[C@H](C)NC(=O)c3cc (nn3C)C(F)(F)F |
~{N}-[(1~{S})-1-[3-(2-methoxypyridin-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide |
| 32489 | LQA | 1 | C25 H23 N3 O4 | InChI=1S/C25H23N3O4/c1-14 (2)32-21-5-4-15(8-22(21)2 9-3)17-10-20-18-11-24-23( 30-13-31-24)9-16(18)6-7-2 8(20)25(27)19(17)12-26/h4 -5,8-11,14,27H,6-7,13H2,1 -3H3/b27-25-; LVLOUZWLCDLTGX-RFBIWTDZSA-N |
COc1cc(ccc1OC(C)C)C2=C(C#N)C(=N)N3CCc4cc 5OCOc5cc4C3=C2; [H]/N=C\1/C(=C(C=C2N1CCc 3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N ; CC(C)Oc1ccc(cc1OC)C2=C(C(=N)N3CCc4cc5c (cc4C3=C2)OCO5)C#N |
4-azanylidene-2-(3-methoxy-4-propan-2-yloxy-phenyl)-6,7-dihydro-[1,3]benzodioxolo[6,5-a]quinolizine-3-carbonitrile |
| 32490 | LQB CHEMBL5282599 ZINC000004117518 |
2 | C20 H20 N4 O2 | InChI=1S/C20H20N4O2/c1-14 -11-15(2)23(21-14)20-12-1 8(7-8-19(20)24(25)26)22-1 0-9-16-5-3-4-6-17(16)13-2 2/h3-8,11-12H,9-10,13H2,1 -2H3; PNNJMGGZMFGNDB-UHFFFAOYSA-N |
Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4c cccc4C3)C; Cc1cc(C)n(n1)c2cc(ccc2[N+]([O -])=O)N3CCc4ccccc4C3 |
2-[3-(3,5-dimethylpyrazol-1-yl)-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline |
| 32491 | LQD CHEMBL4074159 ZINC000584905614 |
3 | C23 H29 N3 O | InChI=1S/C23H29N3O/c1-24( 2)22-16-26(13-17-9-5-8-12 -23(17)27-4)15-20(22)19-1 4-25(3)21-11-7-6-10-18(19 )21/h5-12,14,20,22H,13,15 -16H2,1-4H3/t20-,22+/m1/s 1; CXQQECCQTKSQKN-IRLDBZIGSA-N |
COc1ccccc1CN2C[C@@H]([C@H](C2)c3cn(C)c4c cccc34)N(C)C; Cn1cc(c2c1cccc2)[C@H]3CN(C [C@@H]3N(C)C)Cc4ccccc4OC; Cn1cc(c2c1cccc 2)C3CN(CC3N(C)C)Cc4ccccc4OC; COc1ccccc1C N2C[CH]([CH](C2)c3cn(C)c4ccccc34)N(C)C |
(3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine |
| 32492 | LQE CHEMBL4097892 ZINC000584905620 |
1 | C23 H29 N O2 | InChI=1S/C23H29NO2/c1-24- 15-17(10-16-6-4-8-20(12-1 6)25-2)11-19-13-21-18(14- 22(19)24)7-5-9-23(21)26-3 /h4-9,12,17,19,22H,10-11, 13-15H2,1-3H3/t17-,19-,22 -/m0/s1; QZUPQRHYHMMHGC-JLMWRMLUSA-N |
CN1CC(CC2C1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC ; COc1cccc(C[CH]2C[CH]3Cc4c(C[CH]3N(C)C2 )cccc4OC)c1; COc1cccc(C[C@H]2C[C@H]3Cc4c (C[C@@H]3N(C)C2)cccc4OC)c1; CN1C[C@H](C[ C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4) OC |
(3R,4aS,10aS)-6-methoxy-3-[(3-methoxyphenyl)methyl]-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline |
| 32493 | LQF CHEMBL4096234 ZINC000020676307 |
1 | C22 H20 N6 O | InChI=1S/C22H20N6O/c23-11 -19-18-8-9-27(13-16-5-2-1 -3-6-16)14-20(18)22-26-25 -15-28(22)21(19)24-12-17- 7-4-10-29-17/h1-7,10,15,2 4H,8-9,12-14H2; QBTUKQKTXYTWPD-UHFFFAOYSA-N |
c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5cc co5)C2; N#Cc1c2CCN(Cc3ccccc3)Cc2c4nncn4c 1NCc5occc5 |
5-(furan-2-ylmethylamino)-9-(phenylmethyl)-8,10-dihydro-7H-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile |
| 32494 | LQG CHEMBL4063655 ZINC000584905617 |
2 | C12 H9 N5 O | InChI=1S/C12H9N5O/c13-6-9 -3-4-11-16-15-8-17(11)12( 9)14-7-10-2-1-5-18-10/h1- 5,8,14H,7H2; HNQBUBGQBZCBSB-UHFFFAOYSA-N |
c1cc(oc1)CNc2c(ccc3n2cnn3)C#N; N#Cc1ccc2 nncn2c1NCc3occc3 |
5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile |
| 32495 | LQH CHEMBL310238 ZINC000013740204 |
7 | C17 H13 F N2 | InChI=1S/C17H13FN2/c18-15 -8-4-3-7-14(15)16-11-12-5 -1-2-6-13(12)17-19-9-10-2 0(16)17/h1-8,11H,9-10H2; CRASKXTVWBAFRS-UHFFFAOYSA-N |
c1ccc2c(c1)C=C(N3C2=NCC3)c4ccccc4F; Fc1c cccc1C2=Cc3ccccc3C4=NCCN24 |
5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline |
| 32496 | LQI CHEMBL1326434 ZINC000000620251 |
2 | C15 H17 N O2 | InChI=1S/C15H17NO2/c1-11- 6-8-16(9-7-11)15(17)14-10 -12-4-2-3-5-13(12)18-14/h 2-5,10-11H,6-9H2,1H3; XNQRJSVFBWPVGG-UHFFFAOYSA-N |
CC1CCN(CC1)C(=O)c1cc2ccccc2o1; CC1CCN(CC 1)C(=O)c2cc3ccccc3o2; CC1CCN(CC1)C(=O)c2 oc3ccccc3c2 |
(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone |
| 32497 | LQJ | 28 | C20 H24 N10 O12 P2 | InChI=1S/C20H24N10O12P2/c 21-15-9-17(25-3-23-15)29( 5-27-9)19-11(32)12(7(1-31 )38-19)40-43(33,34)37-2-8 -13-14(42-44(35,36)41-13) 20(39-8)30-6-28-10-16(22) 24-4-26-18(10)30/h3-8,11- 14,19-20,31-32H,1-2H2,(H, 33,34)(H,35,36)(H2,21,23, 25)(H2,22,24,26)/t7-,8+,1 1-,12-,13+,14+,19-,20+/m1 /s1; ZKDCIJKZCQKMKS-RJLGOGMOSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]( [C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H] (O[P](O)(=O)OC[C@@H]4O[C@@H]([C@H]5O[P]( O)(=O)O[C@@H]45)n6cnc7c(N)ncnc67)[C@H]3O ; Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O[P ](O)(=O)OC[CH]4O[CH]([CH]5O[P](O)(=O)O[C H]45)n6cnc7c(N)ncnc67)[CH]3O; c1nc(c2c(n 1)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OCC4C5C(C (O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N; P(O) (OC3C(CO)OC(n2c1c(c(ncn1)N)nc2)C3O)(=O)O CC6OC(n4cnc5c4ncnc5N)C7C6OP(=O)(O)O7 |
3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine |
| 32498 | LQK CHEMBL4648717 |
6 | C26 H27 N3 O6 | InChI=1S/C26H27N3O6/c27-2 3(31)17-8-9-20(17)24(32)2 8-11-10-16-15(6-3-7-22(16 )35-13-12-30)21(28)14-29- 25(33)18-4-1-2-5-19(18)26 (29)34/h1-7,17,20-21,30H, 8-14H2,(H2,27,31)/t17-,20 +,21+/m0/s1; XWMQKSXJPOIISN-IOMROCGXSA-N |
NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc 3[CH]2CN4C(=O)c5ccccc5C4=O; NC(=O)[C@H]1 CC[C@H]1C(=O)N2CCc3c(OCCO)cccc3[C@H]2CN4 C(=O)c5ccccc5C4=O; c1ccc2c(c1)C(=O)N(C2= O)CC3c4cccc(c4CCN3C(=O)C5CCC5C(=O)N)OCCO ; c1ccc2c(c1)C(=O)N(C2=O)C[C@@H]3c4cccc( c4CCN3C(=O)[C@@H]5CC[C@@H]5C(=O)N)OCCO |
(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide |
| 32499 | LQL CHEMBL5174111 |
1 | C22 H20 Cl2 N4 O2 S | InChI=1S/C22H20Cl2N4O2S/c 23-18-6-5-16(11-19(18)24) 28-9-8-27(22(30)15-3-1-7- 25-12-15)14-20(28)21(29)2 6-13-17-4-2-10-31-17/h1-7 ,10-12,20H,8-9,13-14H2,(H ,26,29)/t20-/m0/s1; XEFYJHCPILXFKJ-FQEVSTJZSA-N |
Clc1ccc(cc1Cl)N2CCN(C[C@H]2C(=O)NCc3sccc 3)C(=O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN(C( C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl; Clc1 ccc(cc1Cl)N2CCN(C[CH]2C(=O)NCc3sccc3)C(= O)c4cccnc4; c1cc(cnc1)C(=O)N2CCN([C@@H]( C2)C(=O)NCc3cccs3)c4ccc(c(c4)Cl)Cl |
(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
| 32500 | LQN | 4 | C20 H14 F3 N O Se | InChI=1S/C20H14F3NOSe/c21 -20(22,23)15-10-8-13(9-11 -15)14-4-3-5-16(12-14)24- 19(25)17-6-1-2-7-18(17)26 /h1-12,26H,(H,24,25); KDJGCBCDXDUUBJ-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)c2cccc(NC(=O)c3ccccc3[ SeH])c2; c1ccc(c(c1)C(=O)Nc2cccc(c2)c3cc c(cc3)C(F)(F)F)[SeH] |
2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide |
| 32501 | LQO CHEMBL58323 DB06218 ZINC000000007673 |
2 | C13 H18 N2 O3 | InChI=1S/C13H18N2O3/c1-10 (16)15-12(9-18-2)13(17)14 -8-11-6-4-3-5-7-11/h3-7,1 2H,8-9H2,1-2H3,(H,14,17)( H,15,16)/t12-/m1/s1; VPPJLAIAVCUEMN-GFCCVEGCSA-N |
CC(=O)NC(COC)C(=O)NCc1ccccc1; CC(=O)N[C@ H](COC)C(=O)NCc1ccccc1; COC[CH](NC(C)=O) C(=O)NCc1ccccc1; COC[C@@H](NC(C)=O)C(=O) NCc1ccccc1 |
lacosamide; N~2~-acetyl-N-benzyl-O-methyl-D-serinamide |
| 32502 | LQP ZINC000336116231 |
4 | C10 H15 F2 N O2 | InChI=1S/C10H15F2NO2/c11- 10(12)15-6-9(14)13-4-7-2- 1-3-8(7)5-13/h7-8,10H,1-6 H2/t7-,8+; GFKMUMPBDKROCT-OCAPTIKFSA-N |
C1C[C@@H]2CN(C[C@@H]2C1)C(=O)COC(F)F; FC (F)OCC(=O)N1C[CH]2CCC[CH]2C1; FC(F)OCC(= O)N1CC2CCCC2C1; FC(F)OCC(=O)N1C[C@H]2CCC [C@H]2C1; C1CC2CN(CC2C1)C(=O)COC(F)F |
2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one |
| 32503 | LQQ CHEMBL189963 DB09073 ZINC000003938686 |
3 | C24 H29 N7 O2 | InChI=1S/C24H29N7O2/c1-15 -19-14-27-24(28-20-8-7-18 (13-26-20)30-11-9-25-10-1 2-30)29-22(19)31(17-5-3-4 -6-17)23(33)21(15)16(2)32 /h7-8,13-14,17,25H,3-6,9- 12H2,1-2H3,(H,26,27,28,29 ); AHJRHEGDXFFMBM-UHFFFAOYSA-N |
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCN CC4)C5CCCC5)C(=O)C; CC(=O)C1=C(C)c2cnc(N c3ccc(cn3)N4CCNCC4)nc2N(C5CCCC5)C1=O; O= C2N(c1nc(ncc1C(=C2C(=O)C)C)Nc3ncc(cc3)N4 CCNCC4)C5CCCC5 |
6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; Palbociclib |
| 32504 | LQT CHEMBL4078388 ZINC000263620895 |
2 | C15 H25 N5 O2 | InChI=1S/C15H25N5O2/c1-4- 20(8-7-19(2)3)14(21)11-17 -10-13-9-12(15(16)22)5-6- 18-13/h5-6,9,17H,4,7-8,10 -11H2,1-3H3,(H2,16,22); PNFMVADNCOGWME-UHFFFAOYSA-N |
CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(N)=O; CC N(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N |
2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide; KDOAM25A |
| 32505 | LQU | 1 | C18 H16 N2 O | InChI=1S/C18H16N2O/c1-13( 21)20-11-16-6-2-3-8-17(16 )18(12-20)15-7-4-5-14(9-1 5)10-19/h2-9,18H,11-12H2, 1H3/t18-/m1/s1; HZRMBUYOMGCVMU-GOSISDBHSA-N |
CC(=O)N1Cc2ccccc2C(C1)c3cccc(c3)C#N; CC( =O)N1C[C@H](c2cccc(c2)C#N)c3ccccc3C1; CC (=O)N1C[CH](c2cccc(c2)C#N)c3ccccc3C1; N# Cc1cccc(c1)C1CN(Cc2ccccc21)C(C)=O; CC(=O )N1Cc2ccccc2[C@H](C1)c3cccc(c3)C#N |
3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile |
| 32506 | LQV ZINC000004750341 |
2 | C11 H14 N2 O2 | InChI=1S/C11H14N2O2/c1-8- 4-5-10(12-7-8)13-11(14)9- 3-2-6-15-9/h4-5,7,9H,2-3, 6H2,1H3,(H,12,13,14)/t9-/ m0/s1; BFRXGCPOQMOBHK-VIFPVBQESA-N |
Cc1ccc(nc1)NC(=O)[C@@H]2CCCO2; O=C(Nc1cc c(C)cn1)C1CCCO1; Cc1ccc(NC(=O)[C@@H]2CCC O2)nc1; Cc1ccc(NC(=O)[CH]2CCCO2)nc1; Cc1 ccc(nc1)NC(=O)C2CCCO2 |
(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide |
| 32507 | LQW | 15 | C14 H12 Cl N O Se | InChI=1S/C14H12ClNOSe/c15 -11-7-5-10(6-8-11)9-16-14 (17)12-3-1-2-4-13(12)18/h 1-8,18H,9H2,(H,16,17); ZZXRGWYKGIZVNH-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)NCc2ccc(cc2)Cl)[SeH]; Cl c1ccc(CNC(=O)c2ccccc2[SeH])cc1 |
~{N}-[(4-chlorophenyl)methyl]-2-selanyl-benzamide |
| 32508 | LQX CHEMBL4286938 |
3 | C23 H26 N6 O4 S2 | InChI=1S/C23H26N6O4S2/c1- 14-9-16(27(4)25-14)12-28- 20-6-5-18(35(32,33)26-23( 3)7-8-23)10-19(20)21(30)2 9(22(28)31)13-17-11-24-15 (2)34-17/h5-6,9-11,26H,7- 8,12-13H2,1-4H3; IFWUBRBMMNTBRZ-UHFFFAOYSA-N |
Cn1nc(C)cc1CN2C(=O)N(Cc3sc(C)nc3)C(=O)c4 cc(ccc24)[S](=O)(=O)NC5(C)CC5; Cc1cc(n(n 1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnc(s4)C) S(=O)(=O)NC5(CC5)C |
1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide |
| 32509 | LQY CHEMBL4210475 |
2 | C31 H36 N4 O4 | InChI=1S/C31H36N4O4/c1-39 -27-17-16-22(18-26(27)20- 12-14-21(15-13-20)30(37)3 3-19-28(32)36)29-24-10-6- 7-11-25(24)31(38)35(34-29 )23-8-4-2-3-5-9-23/h6-7,1 2-18,23-25H,2-5,8-11,19H2 ,1H3,(H2,32,36)(H,33,37)/ t24-,25+/m0/s1; VZKJWTFPORBEEH-LOSJGSFVSA-N |
COc1ccc(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN (C4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc 1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C( =O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5; COc1cc c(cc1c2ccc(cc2)C(=O)NCC(N)=O)C3=NN(C4CCC CCC4)C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1c 2ccc(cc2)C(NCC(N)=O)=O)C4=NN(C3CCCCCC3)C (=O)C5CC=CCC45; COc1ccc(cc1c2ccc(cc2)C(= O)NCC(=O)N)C3=NN(C(=O)C4C3CC=CC4)C5CCCCC C5 |
N-(2-amino-2-oxoethyl)-5'-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2'-methoxy[1,1'-biphenyl]-4-carboxamide |
| 32510 | LQZ CHEMBL79 DB00281 ZINC000000020237 |
3 | C14 H22 N2 O | InChI=1S/C14H22N2O/c1-5-1 6(6-2)10-13(17)15-14-11(3 )8-7-9-12(14)4/h7-9H,5-6, 10H2,1-4H3,(H,15,17); NNJVILVZKWQKPM-UHFFFAOYSA-N |
CCN(CC)CC(=O)Nc1c(cccc1C)C; O=C(Nc1c(ccc c1C)C)CN(CC)CC; CCN(CC)CC(=O)Nc1c(C)cccc 1C |
2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide |
| 32511 | LR0 | 1 | C16 H14 F N3 O2 | InChI=1S/C16H14FN3O2/c1-9 (21)19-14-4-5-18-8-15(14) 20-16(22)13-6-10-2-3-11(1 7)7-12(10)13/h2-5,7-8,13H ,6H2,1H3,(H,20,22)(H,18,1 9,21)/t13-/m1/s1; OVXVQSQKNSMPOY-CYBMUJFWSA-N |
CC(=O)Nc1ccncc1NC(=O)C2Cc3c2cc(cc3)F; CC (=O)Nc1ccncc1NC(=O)[C@@H]2Cc3ccc(F)cc23; CC(=O)Nc1ccncc1NC(=O)[CH]2Cc3ccc(F)cc23 ; CC(=O)Nc1ccncc1NC(=O)[C@@H]2Cc3c2cc(cc 3)F; O=C(Nc1cnccc1NC(C)=O)C1Cc2ccc(F)cc2 1 |
(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide |
| 32512 | LR1 ZINC000098209126 |
2 | C13 H18 Br N O4 | InChI=1S/C13H18BrNO4/c14- 8-3-1-7(2-4-8)5-15-10-9(6 -16)11(17)13(19)12(10)18/ h1-4,9-13,15-19H,5-6H2/t9 -,10+,11+,12-,13-/m0/s1; BSQKACVWQISROJ-QWQWKMKNSA-N |
c1cc(ccc1CN[C@@H]2[C@@H]([C@H]([C@@H]([C @H]2O)O)O)CO)Br; Brc1ccc(cc1)CNC2C(C(O)C (O)C2O)CO; OC[C@@H]1[C@@H](O)[C@H](O)[C@ @H](O)[C@@H]1NCc2ccc(Br)cc2; c1cc(ccc1CN C2C(C(C(C2O)O)O)CO)Br; OC[CH]1[CH](O)[CH ](O)[CH](O)[CH]1NCc2ccc(Br)cc2 |
(1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol |
| 32513 | LR2 | 6 | C12 H10 N2 O Se | InChI=1S/C12H10N2OSe/c15- 12(9-5-1-2-6-10(9)16)14-1 1-7-3-4-8-13-11/h1-8,16H, (H,13,14,15); IIISTDSZDJBBTA-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]; [SeH]c1 ccccc1C(=O)Nc2ccccn2 |
~{N}-pyridin-2-yl-2-selanyl-benzamide |
| 32514 | LR4 | 1 | C23 H27 N7 O S | InChI=1S/C23H27N7OS/c1-14 -13-29(3)10-11-30(14)18-8 -4-6-16(26-18)21-27-22(31 -28-21)23(2)9-5-7-17-19(2 3)15(12-24)20(25)32-17/h4 ,6,8,14H,5,7,9-11,13,25H2 ,1-3H3/t14-,23-/m0/s1; YZNVUBRDUJUVPB-PSLXWICFSA-N |
C[C@H]1CN(CCN1c2cccc(n2)c3nc(on3)[C@]4(C CCc5c4c(c(s5)N)C#N)C)C; C[CH]1CN(C)CCN1c 2cccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N )c45; C[C@H]1CN(C)CCN1c2cccc(n2)c3noc(n3 )[C@@]4(C)CCCc5sc(N)c(C#N)c45; CC1CN(CCN 1c2cccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C #N)C)C |
(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile; (4S)-2-azanyl-4-[3-[6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile |
| 32515 | LR5 CHEMBL4065573 ZINC000000053520 |
1 | C8 H6 F3 N O | InChI=1S/C8H6F3NO/c9-8(10 ,11)6-3-1-5(2-4-6)7(12)13 /h1-4H,(H2,12,13); WEJHBEDHLLBJFW-UHFFFAOYSA-N |
c1cc(ccc1C(=O)N)C(F)(F)F; NC(=O)c1ccc(cc 1)C(F)(F)F |
4-(trifluoromethyl)benzamide |
| 32516 | LR6 | 0 | C17 H28 N5 O8 P | InChI=1S/C17H28N5O8P/c1-9 -6-21(15(25)19-12(9)24)13 -10-11(23)17(30-13,8-29-3 1(26,27)28)7-22(10)14(18- 5)20-16(2,3)4/h6,10-11,13 ,23H,7-8H2,1-5H3,(H,18,20 )(H,19,24,25)(H2,26,27,28 )/t10-,11+,13-,17-/m1/s1; VZAHOKWRQQERGL-WYFUGZQLSA-N |
CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CN3C(=NC(C )(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C)N 1C[C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1= O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN3C(=NC( C)(C)C)NC)COP(=O)(O)O)O; CNC(=NC(C)(C)C) N1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH]2O) N3C=C(C)C(=O)NC3=O |
[(1R,3R,4R,7S)-5-(N'-tert-butyl-N-methyl-carbamimidoyl)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate |
| 32517 | LR7 | 6 | C21 H31 N3 O17 P2 | InChI=1S/C21H31N3O17P2/c1 -2-3-4-5-12(26)22-14-17(3 0)15(28)10(8-25)39-20(14) 40-43(35,36)41-42(33,34)3 7-9-11-16(29)18(31)19(38- 11)24-7-6-13(27)23-21(24) 32/h1,6-7,10-11,14-20,25, 28-31H,3-5,8-9H2,(H,22,26 )(H,33,34)(H,35,36)(H,23, 27,32)/t10-,11-,14-,15+,1 6-,17-,18-,19-,20-/m1/s1; SPUYDPWWABYYLH-SSBRDYMUSA-N |
O=C1C=CN(C(N1)=O)C2C(C(C(O2)COP(O)(OP(=O )(O)OC3OC(CO)C(C(O)C3NC(=O)CCCC#C)O)=O)O )O; C#CCCCC(=O)N[C@@H]1[C@H]([C@H]([C@H] (O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H ]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO )O)O; C#CCCCC(=O)NC1C(C(C(OC1OP(=O)(O)OP (=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O) CO)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P](O)( =O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O) NC3=O)[CH](NC(=O)CCCC#C)[CH](O)[CH]1O; O C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C @H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC 3=O)[C@H](NC(=O)CCCC#C)[C@@H](O)[C@H]1O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{R})-3-(hex-5-ynoylamino)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate |
| 32518 | LR8 CHEMBL1720183 ZINC000019932164 |
1 | C10 H13 N3 O2 | InChI=1S/C10H13N3O2/c11-1 0(14)8-1-2-9(12-7-8)13-3- 5-15-6-4-13/h1-2,7H,3-6H2 ,(H2,11,14); WGUWZMKBMLBNEE-UHFFFAOYSA-N |
c1cc(ncc1C(=O)N)N2CCOCC2; NC(=O)c1ccc(nc 1)N2CCOCC2 |
6-morpholin-4-ylpyridine-3-carboxamide |
| 32519 | LR9 ZINC000037078066 |
3 | C10 H14 N2 O | InChI=1S/C10H14N2O/c1-3-1 2(2)10(13)8-5-4-6-9(11)7- 8/h4-7H,3,11H2,1-2H3; URNKFNQWYLXELN-UHFFFAOYSA-N |
CCN(C)C(=O)c1cccc(c1)N; CCN(C)C(=O)c1ccc c(N)c1; O=C(c1cc(N)ccc1)N(C)CC |
3-amino-N-ethyl-N-methylbenzamide |
| 32520 | LRA | 2 | C16 H11 Br O4 | InChI=1S/C16H11BrO4/c17-1 1-6-4-9(5-7-11)13-14(19)1 6(20)21-15(13)10-2-1-3-12 (18)8-10/h1-8,15,18-19H/t 15-/m1/s1; AXUOPMIBBDYMEV-OAHLLOKOSA-N |
c1cc(cc(c1)O)[C@@H]2C(=C(C(=O)O2)O)c3ccc (cc3)Br; Oc1cccc(c1)[CH]2OC(=O)C(=C2c3cc c(Br)cc3)O; c1cc(cc(c1)O)C2C(=C(C(=O)O2) O)c3ccc(cc3)Br; Oc1cccc(c1)[C@H]2OC(=O)C (=C2c3ccc(Br)cc3)O |
(2R)-3-(4-bromophenyl)-2-(3-hydroxyphenyl)-4-oxidanyl-2H-furan-5-one |
| 32521 | LRB DB01663 |
0 | C50 H57 N7 O Ru | InChI=1S/C30H41N3O.2C10H8 N2.Ru/c1-21-10-12-31-27(1 4-21)28-20-22(11-13-32-28 )8-6-4-2-3-5-7-9-29(34)33 -30-25-16-23-15-24(18-25) 19-26(30)17-23;2*1-3-7-11 -9(5-1)10-6-2-4-8-12-10;/ h10-14,20,23-26,30H,2-9,1 5-19H2,1H3,(H,33,34);2*1- 8H;/q3*-2;+8/b28-27-;2*10 -9-;/t23-,24+,25-,26+,30- ;;;; IGSCYCAKHRXAKK-KBBCMHLPSA-N |
CC1=CC2=C3C=C(C=CN3[Ru+2]45(N2C=C1)(N6C= CC=CC6=C7N4C=CC=C7)N8C=CC=CC8=C9N5C=CC=C 9)CCCCCCCCC(=O)NC1C2CC3CC(C2)CC1C3; CC1= CC2=C3C=C(CCCCCCCCC(=O)NC4C5CC6CC(C5)CC4 C6)C=CN3[Ru++]78(N9C=CC=CC9=C%10C=CC=CN7 %10)(N%11C=CC=CC%11=C%12C=CC=CN8%12)N2C= C1; O=C(NC3C1CC2CC(C1)CC3C2)CCCCCCCCc%12 cc%11c4n(ccc(c4)C)[Ru+2]7%10(n5ccccc5c6c cccn67)(n8ccccc8c9ccccn9%10)n%11cc%12 |
LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C9-ADAMANTANE RUTHENIUM (II) |
| 32522 | LRC | 1 | C13 H12 Cl N3 O | InChI=1S/C13H12ClN3O/c1-9 -2-3-15-8-12(9)17-13(18)5 -10-4-11(14)7-16-6-10/h2- 4,6-8H,5H2,1H3,(H,17,18); OCRRKPZGCOGESB-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl; O=C(Nc1cnc cc1C)Cc1cc(Cl)cnc1; Cc1ccncc1NC(=O)Cc2cn cc(Cl)c2 |
2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 32523 | LRD ZINC000016448889 |
11 | C19 H12 Cl2 O5 S | InChI=1S/C19H12Cl2O5S/c20 -14-9-11(5-7-16(14)22)19( 12-6-8-17(23)15(21)10-12) 13-3-1-2-4-18(13)27(24,25 )26/h1-10,22H,(H,24,25,26 )/b19-12+; QXTPRQZMDKBTAI-XDHOZWIPSA-N |
c1ccc(c(c1)/C(=C/2\C=CC(=O)C(=C2)Cl)/c3c cc(c(c3)Cl)O)S(=O)(=O)O; Oc1ccc(cc1Cl)C( =C2C=CC(=O)C(=C2)Cl)c3ccccc3[S](O)(=O)=O ; Oc1ccc(cc1Cl)C(=C\2C=CC(=O)C(=C\2)Cl)/ c3ccccc3[S](O)(=O)=O; c1ccc(c(c1)C(=C2C= CC(=O)C(=C2)Cl)c3ccc(c(c3)Cl)O)S(=O)(=O) O; ClC3=CC(=C(/c1ccc(O)c(Cl)c1)c2ccccc2S (=O)(=O)O)\C=CC3=O |
2-[(E)-(3-chloro-4-hydroxyphenyl)(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid; Chlorophenol Red |
| 32524 | LRF ZINC000253415400 |
6 | C8 H10 N4 O S | InChI=1S/C8H10N4OS/c1-5-6 (3-9)8(14-11-5)12(2)4-7(1 0)13/h4H2,1-2H3,(H2,10,13 ); BCFQGXBWVPWHCV-UHFFFAOYSA-N |
N#Cc1c(snc1C)N(C)CC(N)=O; Cc1c(c(sn1)N(C )CC(=O)N)C#N; CN(CC(N)=O)c1snc(C)c1C#N |
N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide |
| 32525 | LRG CHEMBL191275 DB08121 ZINC000013671695 |
9 | C21 H18 O3 | InChI=1S/C21H18O3/c22-21( 23)20(15-16-7-3-1-4-8-16) 24-19-13-11-18(12-14-19)1 7-9-5-2-6-10-17/h1-14,20H ,15H2,(H,22,23)/t20-/m0/s 1; TZTPJJNNACUQQR-FQEVSTJZSA-N |
O=C(O)C(Oc1ccc(cc1)c2ccccc2)Cc3ccccc3; O C(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3ccccc3 ; c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3ccccc 3; c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c 3ccccc3; OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2 )c3ccccc3 |
(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid |
| 32526 | LRH | 5 | C6 H12 O5 | InChI=1S/C6H12O5/c1-3-4(8 )5(9)6(10,2-7)11-3/h3-5,7 -10H,2H2,1H3/t3-,4-,5+,6- /m0/s1; CJJCPDZKQKUXSS-AZGQCCRYSA-N |
C[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O; C[ CH]1O[C](O)(CO)[CH](O)[CH]1O; CC1C(C(C(O 1)(CO)O)O)O; OC1C(O)C(OC1(O)CO)C; C[C@H] 1[C@@H]([C@H]([C@@](O1)(CO)O)O)O |
6-deoxy-beta-L-fructofuranose; 6-deoxy-beta-L-fructose; 6-deoxy-L-fructose; 6-deoxy-fructose |
| 32527 | LRI CHEMBL4876469 ZINC000048557345 |
2 | C12 H13 Cl N4 S | InChI=1S/C12H13ClN4S/c13- 10-6-11(16-12(14)15-10)17 (8-3-4-8)7-9-2-1-5-18-9/h 1-2,5-6,8H,3-4,7H2,(H2,14 ,15,16); PDWZXKSZLRVSEH-UHFFFAOYSA-N |
c1c(scc1)CN(C2CC2)c3nc(nc(c3)Cl)N; c1cc( sc1)CN(c2cc(nc(n2)N)Cl)C3CC3; Nc1nc(Cl)c c(n1)N(Cc2sccc2)C3CC3 |
6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine |
| 32528 | LRK ZINC000263620764 |
0 | C11 H23 N2 O9 P | InChI=1S/C11H23N2O9P/c12- 7(11(17)18)3-1-2-4-13-8(5 -14)10(16)9(15)6-22-23(19 ,20)21/h7-9,13-15H,1-6,12 H2,(H,17,18)(H2,19,20,21) /t7-,8+,9+/m0/s1; MTFNVQCMTVXWTF-DJLDLDEBSA-N |
N[CH](CCCCN[CH](CO)C(=O)[CH](O)CO[P](O)( O)=O)C(O)=O; N[C@@H](CCCCN[C@H](CO)C(=O) [C@H](O)CO[P](O)(O)=O)C(O)=O; O=P(OCC(O) C(=O)C(NCCCCC(C(=O)O)N)CO)(O)O; C(CCNC(C O)C(=O)C(COP(=O)(O)O)O)CC(C(=O)O)N; C(CC N[C@H](CO)C(=O)[C@@H](COP(=O)(O)O)O)C[C@ @H](C(=O)O)N |
(2S)-2-azanyl-6-[[(2R,4R)-1,4-bis(oxidanyl)-3-oxidanylidene-5-phosphonooxy-pentan-2-yl]amino]hexanoic acid |
| 32529 | LRL | 2 | C25 H24 N4 O2 S | InChI=1S/C25H24N4O2S/c30- 32(31,25-5-1-3-21-16-27-1 4-12-23(21)25)28-17-22-10 -11-24(29-22)19-8-6-18(7- 9-19)20-4-2-13-26-15-20/h 1-9,12-16,22,24,28-29H,10 -11,17H2/t22-,24+/m0/s1; WDMXDRLBFHUECN-LADGPHEKSA-N |
c1cc2cnccc2c(c1)S(=O)(=O)NCC3CCC(N3)c4cc c(cc4)c5cccnc5; O=[S](=O)(NC[C@@H]1CC[C@ @H](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45 ; O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c 3cccnc3)c4cccc5cnccc45; c1cc2cnccc2c(c1) S(=O)(=O)NC[C@@H]3CC[C@@H](N3)c4ccc(cc4) c5cccnc5 |
~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide |
| 32530 | LRM | 12 | C56 H79 N20 O38 P6 | InChI=1S/C56H78N20O38P6/c 1-69(2)44-31-46(63-19-61- 44)75(21-65-31)53-42(99-8 )38(27(109-53)17-104-119( 92,93)114-120(94,95)113-1 18(90,91)103-13-23-33(78) 35(80)49(105-23)76-22-70( 3)32-47(76)67-54(59)68-48 (32)81)112-117(88,89)102- 16-26-37(41(98-7)52(108-2 6)74-20-64-30-43(58)60-18 -62-45(30)74)111-116(86,8 7)101-15-25-36(40(97-6)51 (107-25)72-11-9-28(57)66- 55(72)82)110-115(84,85)10 0-14-24-34(79)39(96-5)50( 106-24)73-12-10-29(77)71( 4)56(73)83/h9-12,18-27,33 -42,49-53,78-80H,13-17H2, 1-8H3,(H12-,57,58,59,60,6 2,66,67,68,81,82,84,85,86 ,87,88,89,90,91,92,93,94, 95)/p+1/t23-,24-,25-,26-, 27-,33-,34-,35-,36-,37-,3 8-,39-,40-,41-,42-,49-,50 -,51-,52-,53-/m1/s1; LXUOPLSSKHEGET-DYPPLJCPSA-O |
CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3 C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O )(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C (n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C( OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(O CC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)= O)O)=O)OC)C; CO[C@@H]1[C@H](O)[C@@H](CO[ P](O)(=O)O[C@@H]2[C@@H](CO[P](O)(=O)O[C@ @H]3[C@@H](CO[P](O)(=O)O[C@@H]4[C@@H](CO [P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]5 O[C@H]([C@H](O)[C@@H]5O)n6c[n+](C)c7C(=O )N=C(N)Nc67)O[C@H]([C@@H]4OC)n8cnc9c(ncn c89)N(C)C)O[C@H]([C@@H]3OC)n%10cnc%11c(N )ncnc%10%11)O[C@H]([C@@H]2OC)N%12C=CC(=N C%12=O)N)O[C@H]1N%13C=CC(=O)N(C)C%13=O; C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]( [C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O )(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc 6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H] ([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=C C(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C @H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O) O; C[n+]1cn(c2c1C(=O)N=C(N2)N)C3C(C(C(O3 )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O 4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OCC7C(C (C(O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OCC1C(C (C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C( C(C(O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O; CO[C H]1[CH](O)[CH](CO[P](O)(=O)O[CH]2[CH](CO [P](O)(=O)O[CH]3[CH](CO[P](O)(=O)O[CH]4[ CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC [CH]5O[CH]([CH](O)[CH]5O)n6c[n+](C)c7C(= O)N=C(N)Nc67)O[CH]([CH]4OC)n8cnc9c(ncnc8 9)N(C)C)O[CH]([CH]3OC)n%10cnc%11c(N)ncnc %10%11)O[CH]([CH]2OC)N%12C=CC(=NC%12=O)N )O[CH]1N%13C=CC(=O)N(C)C%13=O |
2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium |
| 32531 | LRN | 1 | C20 H36 N2 O2 | InChI=1S/C20H36N2O2/c1-16 (23)21-13-5-8-19(15-21)22 (14-17-6-3-2-4-7-17)18-9- 11-20(24)12-10-18/h17-20, 24H,2-15H2,1H3/t18-,19-,2 0-/m1/s1; BWGFBDXTNPNCAD-VAMGGRTRSA-N |
CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O; CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3C C[C@H](O)CC3; CC(=O)N1CCC[CH](C1)N(CC2CC CCC2)[CH]3CC[CH](O)CC3; O=C(C)N1CCCC(C1) N(CC1CCCCC1)C1CCC(O)CC1; CC(=O)N1CCC[C@H ](C1)N(CC2CCCCC2)C3CCC(CC3)O |
1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one |
| 32532 | LRO CHEMBL3991051 ZINC000095921127 |
2 | C14 H14 N2 O4 | InChI=1S/C14H14N2O4/c1-8- 2-4-9(5-3-8)6-7-10-11(13( 18)19)15-14(20)16-12(10)1 7/h2-5H,6-7H2,1H3,(H,18,1 9)(H2,15,16,17,20); BBNOPYKTLSUCSO-UHFFFAOYSA-N |
Cc1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O; Cc 1ccc(CCC2=C(NC(=O)NC2=O)C(O)=O)cc1; O=C1 NC(C(=O)O)=C(C(=O)N1)CCc2ccc(cc2)C |
5-[2-(4-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
| 32533 | LRP | 1 | C24 H36 N10 O17 P3 | InChI=1S/C24H35N10O17P3/c 1-31(2)18-12-19(27-7-26-1 8)33(8-28-12)23-17(45-4)1 5(36)11(49-23)6-47-53(41, 42)51-54(43,44)50-52(39,4 0)46-5-10-14(35)16(37)22( 48-10)34-9-32(3)13-20(34) 29-24(25)30-21(13)38/h7-1 1,14-17,22-23,35-37H,5-6H 2,1-4H3,(H5-,25,29,30,38, 39,40,41,42,43,44)/p+1/t1 0-,11-,14-,15-,16-,17-,22 -,23-/m1/s1; WWIREDRDOBXWDG-FRZFILDFSA-O |
n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP( OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+] (c5)C)=O)O)=O)(O)=O)C(C6OC)O; C[n+]1cn(c 2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn c6N(C)C)OC)O)O)O; CO[CH]1[CH](O)[CH](CO[ P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[ CH]([CH](O)[CH]2O)n3c[n+](C)c4C(=O)NC(=N c34)N)O[CH]1n5cnc6c(ncnc56)N(C)C; C[n+]1 cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H] ([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC [C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncn c6N(C)C)OC)O)O)O; CO[C@@H]1[C@H](O)[C@@H ](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[C @H]2O[C@H]([C@H](O)[C@@H]2O)n3c[n+](C)c4 C(=O)NC(=Nc34)N)O[C@H]1n5cnc6c(ncnc56)N( C)C |
2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium |
| 32534 | LRQ CHEMBL4452972 |
2 | C27 H27 F3 N2 O2 | InChI=1S/C27H27F3N2O2/c1- 26(2,30)15-32-17-6-5-11-2 7(32,25-19(14-17)18-7-3-4 -8-22(18)31-25)24-20(28)1 2-16(13-21(24)29)9-10-23( 33)34/h3-4,7-10,12-13,17, 31H,5-6,11,14-15H2,1-2H3, (H,33,34)/b10-9+/t17-,27- /m1/s1; XPULPVUOUDRKNB-SAEWTEAUSA-N |
CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3 C2)c5c(F)cc(C=CC(O)=O)cc5F; CC(C)(F)CN1[ C@@H]2CCC[C@]1(c3[nH]c4ccccc4c3C2)c5c(F) cc(/C=C/C(O)=O)cc5F; CC(C)(CN1C2CCCC1(c3 c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)C=CC(=O)O )F)F; CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccc cc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F |
Bridged tetracyclic indole |
| 32535 | LRR ZINC000000012163 |
3 | C14 H19 N O2 | InChI=1S/C14H19NO2/c16-14 (15-9-11-17-12-10-15)8-4- 7-13-5-2-1-3-6-13/h1-3,5- 6H,4,7-12H2; VCWRKWJSYZSPEJ-UHFFFAOYSA-N |
c1ccc(cc1)CCCC(=O)N2CCOCC2; O=C(CCCc1ccc cc1)N2CCOCC2; O=C(CCCc1ccccc1)N1CCOCC1 |
1-(morpholin-4-yl)-4-phenylbutan-1-one |
| 32536 | LRS CHEMBL4483477 |
4 | C25 H30 N8 O3 | InChI=1S/C25H30N8O3/c1-30 -21-13-20(28-24(35)18-15- 27-33-6-2-5-26-23(18)33)2 2(31-7-3-17(16-34)4-8-31) 14-19(21)29-25(30)32-9-11 -36-12-10-32/h2,5-6,13-15 ,17,34H,3-4,7-12,16H2,1H3 ,(H,28,35); LVDMRCKBQDTUEU-UHFFFAOYSA-N |
Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC (=O)c5cnn6c5nccc6; Cn1c2cc(NC(=O)c3cnn4c ccnc34)c(cc2nc1N5CCOCC5)N6CCC(CO)CC6; c3 (cc2nc(N1CCOCC1)n(c2cc3NC(=O)c5c4ncccn4n c5)C)N6CCC(CC6)CO |
N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 32537 | LRT CHEMBL1667963 ZINC000066099959 |
3 | C14 H18 N4 O2 S | InChI=1S/C14H18N4O2S/c15- 14-12-3-1-4-13(11(12)5-7- 17-14)21(19,20)18-9-2-6-1 6-8-10-18/h1,3-5,7,16H,2, 6,8-10H2,(H2,15,17); QITCSTCJTLZZMU-UHFFFAOYSA-N |
Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3; c1c c2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3 |
5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine |
| 32538 | LRU DB03871 |
1 | C23 H19 N6 Ru | InChI=1S/2C10H8N2.C3H3N2. Ru/c2*1-3-7-11-9(5-1)10-6 -2-4-8-12-10;1-2-5-3-4-1; /h2*1-8H;1-3H;/q;;-1;+3; ZSRBWSVKDUMHBO-UHFFFAOYSA-N |
n1ccn(c1)[Ru+2]73(n4c(c2ccccn23)cccc4)n5 ccccc5c6ccccn67; [Ru++]|1|2(|n3ccccc3c4c cccn|14)(|n5ccccc5c6ccccn|26)n7ccnc7; c1 cn(cn1)[Ru+2]23([N]4=C(C=CC=C4)C5=[N]2C= CC=C5)[N]6=CC=CC=C6C7=CC=CC=[N]37 |
LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE RUTHENIUM (II) |
| 32539 | LRV | 1 | C38 H62 O18 | InChI=1S/C38H62O18/c1-16- 11-37-9-5-20-35(2,7-4-8-3 6(20,3)34(49)50)21(37)6-1 0-38(16,15-37)56-33-30(55 -32-28(48)26(46)23(43)18( 13-40)52-32)29(24(44)19(1 4-41)53-33)54-31-27(47)25 (45)22(42)17(12-39)51-31/ h16-33,39-48H,4-15H2,1-3H 3,(H,49,50)/t16-,17-,18+, 19-,20+,21+,22-,23+,24-,2 5+,26+,27+,28+,29-,30-,31 +,32+,33+,35-,36-,37-,38+ /m1/s1; VDNFPBCVHYOBFH-LNBNFVSXSA-N |
C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C @@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H ](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO) O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO) O)O)O)(CCC[C@@]4(C)C(=O)O)C; C[CH]1C[C]2 3CC[CH]4[C](C)(CCC[C]4(C)C(O)=O)[CH]2CC[ C]1(C3)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6 O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH] 7O[CH](CO)[CH](O)[CH](O)[CH]7O; CC1CC23C CC4C(C2CCC1(C3)OC5C(C(C(C(O5)CO)O)OC6C(C (C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O) (CCCC4(C)C(=O)O)C; C7(C(C(C(OC1C(OC(CO)C (C1OC2C(O)C(C(O)C(CO)O2)O)O)OC34CC6(CC3C )C(CC4)C5(C)CCCC(C(O)=O)(C5CC6)C)OC7CO)O )O)O; C[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(C CC[C@@]4(C)C(O)=O)[C@@H]2CC[C@@]1(C3)O[C @@H]5O[C@H](CO)[C@@H](O)[C@@H](O[C@@H]6O [C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@H] 5O[C@@H]7O[C@@H](CO)[C@H](O)[C@H](O)[C@@ H]7O |
(8alpha,9beta,10alpha,13alpha)-13-{[alpha-L-allopyranosyl-(1->2)-[beta-D-mannopyranosyl-(1->3)]-beta-D-allopyranosyl]oxy}kauran-18-oic acid |
| 32540 | LRW CHEMBL2387748 ZINC000000119696 |
1 | C10 H7 F3 O2 | InChI=1S/C10H7F3O2/c11-10 (12,13)8-3-1-2-7(6-8)4-5- 9(14)15/h1-6H,(H,14,15)/b 5-4+; KSBWHDDGWSYETA-SNAWJCMRSA-N |
OC(=O)/C=C/c1cccc(c1)C(F)(F)F; c1cc(cc(c 1)C(F)(F)F)/C=C/C(=O)O; OC(=O)C=Cc1cccc( c1)C(F)(F)F; c1cc(cc(c1)C(F)(F)F)C=CC(=O )O |
(~{E})-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid |
| 32541 | LRX CHEMBL5594711 |
2 | C25 H32 F3 N5 O4 | InChI=1S/C25H32F3N5O4/c1- 2-37-24(36)33-9-6-18(7-10 -33)30-21-20(22(34)23(21) 35)29-8-11-31-12-14-32(15 -13-31)19-5-3-4-17(16-19) 25(26,27)28/h3-5,16,18,29 -30H,2,6-15H2,1H3; ZKITWOVRRSBKFG-UHFFFAOYSA-N |
CCOC(=O)N1CCC(CC1)NC2=C(C(=O)C2=O)NCCN3C CN(CC3)c4cccc(c4)C(F)(F)F; CCOC(=O)N1CCC (CC1)NC2=C(NCCN3CCN(CC3)c4cccc(c4)C(F)(F )F)C(=O)C2=O |
squarunkin A; ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate |
| 32542 | LRY ZINC000034997269 |
6 | C8 H16 N O9 P | InChI=1S/C8H16NO9P/c1-4(1 1)9-5(2-10)7(13)8(14)6(12 )3-18-19(15,16)17/h2,5-8, 12-14H,3H2,1H3,(H,9,11)(H 2,15,16,17)/t5-,6-,7-,8-/ m1/s1; QDSLHWJDSQGPEE-WCTZXXKLSA-N |
CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[ P](O)(O)=O; CC(=O)N[C@H](C=O)[C@@H](O)[C @H](O)[C@H](O)CO[P](O)(O)=O; CC(=O)N[C@H ](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O) O)O; O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O) O; CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O |
N-acetylmannosamine-6-phosphate |
| 32543 | LRZ CHEMBL5199380 |
6 | C27 H32 N10 O7 | InChI=1S/C27H32N10O7/c1-4 3-25(41)14-7-13-3-4-15(9- 16(13)17(38)8-14)36-27(42 )31-6-2-5-30-26(29)32-10- 18-20(39)21(40)24(44-18)3 7-12-35-19-22(28)33-11-34 -23(19)37/h3-4,7-9,11-12, 18,20-21,24,38-40H,2,5-6, 10H2,1H3,(H2,28,33,34)(H3 ,29,30,32)(H2,31,36,42)/t 18-,20-,21-,24-/m1/s1; GJPQENHVEQGHGP-UMCMBGNQSA-N |
COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(=N)NC[CH ]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c cc2c1; COC(=O)c1cc(O)c2cc(NC(=O)NCCCNC(= N)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5 c(N)ncnc45)ccc2c1; COC(=O)c1cc2ccc(cc2c( c1)O)NC(=O)NCCCNC(=N)NCC3C(C(C(O3)n4cnc5 c4ncnc5N)O)O; [H]/N=C(\NCCCNC(=O)Nc1ccc2 cc(cc(c2c1)O)C(=O)OC)/NC[C@@H]3[C@H]([C@ H]([C@@H](O3)n4cnc5c4ncnc5N)O)O |
methyl 6-[3-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]propylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate |
| 32544 | LS0 | 1 | C16 H14 F N3 O | InChI=1S/C16H14FN3O/c1-11 -4-6-18-9-14(11)19-16(21) 10-20-7-5-12-2-3-13(17)8- 15(12)20/h2-9H,10H2,1H3,( H,19,21); FTEMSYPIGWJMTH-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cn2ccc3c2cc(cc3)F; Cc1ccn cc1NC(=O)Cn1ccc2ccc(F)cc21; Cc1ccncc1NC( =O)Cn2ccc3ccc(F)cc23 |
2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 32545 | LS1 CHEMBL1234085 DB08122 ZINC000010254749 |
1 | C16 H15 N3 O3 S | InChI=1S/C16H15N3O3S/c1-1 7-23(21,22)12-8-6-11(7-9- 12)18-10-14-13-4-2-3-5-15 (13)19-16(14)20/h2-10,17- 18H,1H3,(H,19,20)/b14-10-; IKASAFLVQIJQOK-UVTDQMKNSA-N |
CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O; O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3 =O; CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3cccc c23)cc1; CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3 ccccc3NC2=O; CN[S](=O)(=O)c1ccc(N\C=C2/C (=O)Nc3ccccc23)cc1 |
N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE |
| 32546 | LS2 CHEMBL1234086 DB08123 ZINC000010254750 |
1 | C17 H15 N5 O3 S2 | InChI=1S/C17H15N5O3S2/c1- 18-27(24,25)8-10-2-4-11(5 -3-10)21-22-15-14-12(20-1 7(15)23)6-7-13-16(14)26-9 -19-13/h2-7,9,18,21H,8H2, 1H3,(H,20,22,23); GEWPSTLKJDIUHW-UHFFFAOYSA-N |
CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4n csc4c23)cc1; CN[S](=O)(=O)Cc1ccc(NN=C2C( =O)Nc3ccc4ncsc4c23)cc1; CNS(=O)(=O)Cc1cc c(cc1)NN=C2c3c(ccc4c3scn4)NC2=O; O=S(=O) (NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3c c4 |
N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE |
| 32547 | LS3 CHEMBL1234087 DB08124 ZINC000008552693 |
1 | C20 H15 N3 O4 S | InChI=1S/C20H15N3O4S/c24- 20-17(7-22-15-3-1-13-9-28 (25,26)10-14(13)5-15)16-6 -12(2-4-18(16)23-20)19-8- 21-11-27-19/h1-8,11,22H,9 -10H2,(H,23,24)/b17-7-; FTQYGMLRLRXBPT-IDUWFGFVSA-N |
O=C3Nc2ccc(c1ocnc1)cc2/C3=C/Nc4ccc5c(c4) CS(=O)(=O)C5; O=C1Nc2ccc(cc2C1=CNc3ccc4C [S](=O)(=O)Cc4c3)c5ocnc5; O=C\1Nc2ccc(cc 2C\1=C/Nc3ccc4C[S](=O)(=O)Cc4c3)c5ocnc5; c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O )(=O)C5)C(=O)N2 |
3-{[(2,2-DIOXIDO-1,3-DIHYDRO-2-BENZOTHIEN-5-YL)AMINO]METHYLENE}-5-(1,3-OXAZOL-5-YL)-1,3-DIHYDRO-2H-INDOL-2-ONE |
| 32548 | LS4 CHEMBL1234088 DB08125 ZINC000010254751 |
1 | C18 H14 N4 O3 S2 | InChI=1S/C18H14N4O3S2/c23 -17-15(14-3-1-2-4-16(14)2 1-17)11-20-12-5-7-13(8-6- 12)27(24,25)22-18-19-9-10 -26-18/h1-11,20H,(H,19,22 )(H,21,23)/b15-11-; BOMPRXSVSIPRDT-PTNGSMBKSA-N |
c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4 nccs4)/C(=O)N2; O=C\1Nc2ccccc2C\1=C/Nc3c cc(cc3)[S](=O)(=O)Nc4sccn4; c1ccc2c(c1)C (=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2; O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O) Nc4sccn4; O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/ c2ccccc2NC3=O)cc4 |
4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE |
| 32549 | LS5 CHEMBL1234089 DB08126 ZINC000006536092 |
2 | C16 H15 N5 O3 S | InChI=1S/C16H15N5O3S/c17- 16(18)21-25(23,24)11-7-5- 10(6-8-11)19-9-13-12-3-1- 2-4-14(12)20-15(13)22/h1- 9,19H,(H,20,22)(H4,17,18, 21)/b13-9-; DMCRNUMVSATRTP-LCYFTJDESA-N |
c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)NC(=N )N)C(=O)N2; NC(=N)N[S](=O)(=O)c1ccc(NC=C 2C(=O)Nc3ccccc23)cc1; NC(=N)N[S](=O)(=O) c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1; c1ccc2 c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/ C(=O)N2; O=S(=O)(NC(=[N@H])N)c1ccc(cc1)N /C=C3/c2ccccc2NC3=O |
3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE |
| 32550 | LS6 CHEMBL5184156 |
1 | C16 H22 N2 O2 | InChI=1S/C16H22N2O2/c19-1 6(17-20)7-6-15-9-12-18(13 -10-15)11-8-14-4-2-1-3-5- 14/h1-7,15,20H,8-13H2,(H, 17,19); LPMFCCCECUVGJJ-UHFFFAOYSA-N |
ONC(=O)C=CC1CCN(CC1)CCc2ccccc2; ONC(=O)/ C=C/C1CCN(CCc2ccccc2)CC1; c1ccc(cc1)CCN2 CCC(CC2)C=CC(=O)NO; c1ccc(cc1)CCN2CCC(CC 2)/C=C/C(=O)NO; ONC(=O)/C=C/C1CCN(CC1)CC c2ccccc2 |
(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide |
| 32551 | LS7 CHEMBL4473269 |
4 | C21 H23 N5 O3 | InChI=1S/C21H23N5O3/c1-21 (2)12-14-10-16(17(11-18(1 4)29-21)25-6-8-28-9-7-25) 24-20(27)15-13-23-26-5-3- 4-22-19(15)26/h3-5,10-11, 13H,6-9,12H2,1-2H3,(H,24, 27); LGCXMCBXSOYDBH-UHFFFAOYSA-N |
CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2O1) N5CCOCC5; CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC( =O)c4cnn5c4nccc5)C; c51c(cc(c(c1)NC(=O)c 2cnn3c2nccc3)N4CCOCC4)OC(C5)(C)C |
N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 32552 | LS8 CHEMBL3752151 ZINC000254286814 |
4 | C19 H17 N3 O4 S | InChI=1S/C19H17N3O4S/c1-1 2-8-14-10-15(5-6-16(14)22 (2)19(12)23)21-27(24,25)1 8-7-4-13(11-20)9-17(18)26 -3/h4-10,21H,1-3H3; UEMQPCYDWCSVCU-UHFFFAOYSA-N |
CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(c c3OC)C#N; COc1cc(ccc1[S](=O)(=O)Nc2ccc3N (C)C(=O)C(=Cc3c2)C)C#N |
4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide |
| 32553 | LS9 CHEMBL3236605 ZINC000169743271 |
1 | C5 H6 B N O2 | InChI=1S/C5H6BNO2/c8-6(9) 5-2-1-3-7-4-5/h1-4,8-9H; ABMYEXAYWZJVOV-UHFFFAOYSA-N |
B(c1cccnc1)(O)O; OB(O)c1cccnc1 | pyridin-3-ylboronic acid |
| 32554 | LSA CHEMBL310671 DB12418 ZINC000002560357 |
15 | C7 H5 N O3 S | InChI=1S/C7H5NO3S/c9-7-5- 3-1-2-4-6(5)12(10,11)8-7/ h1-4H,(H,8,9); CVHZOJJKTDOEJC-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NS2(=O)=O; O=C2c1ccccc1S (=O)(=O)N2; O=C1N[S](=O)(=O)c2ccccc12 |
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE; SACCHARIN |
| 32555 | LSB ZINC000098209127 |
4 | C29 H43 N O6 | InChI=1S/C29H43NO6/c1-7-2 2(26(32)30-19(5)25(34-27( 30)33)21-13-11-10-12-14-2 1)24(31)18(4)17-29(9-3)23 (36-29)15-16-28(8-2)20(6) 35-28/h10-14,18-20,22-25, 31H,7-9,15-17H2,1-6H3/t18 -,19+,20+,22+,23+,24-,25+ ,28+,29+/m0/s1; PLMSSXURLNIBST-CWZDORBJSA-N |
CC[CH]([CH](O)[CH](C)C[C]1(CC)O[CH]1CC[C ]2(CC)O[CH]2C)C(=O)N3[CH](C)[CH](OC3=O)c 4ccccc4; CC[C@H]([C@@H](O)[C@@H](C)C[C@@ ]1(CC)O[C@@H]1CC[C@@]2(CC)O[C@@H]2C)C(=O )N3[C@H](C)[C@@H](OC3=O)c4ccccc4; O=C2OC (c1ccccc1)C(N2C(=O)C(CC)C(O)C(C)CC4(OC4C CC3(OC3C)CC)CC)C; CCC(C(C(C)CC1(C(O1)CCC 2(C(O2)C)CC)CC)O)C(=O)N3C(C(OC3=O)c4cccc c4)C; CC[C@H]([C@H]([C@@H](C)CC1([C@H](O 1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@ @H]([C@@H](OC3=O)c4ccccc4)C |
(4R,5S)-3-((2R,3S,4S)-2-ethyl-5-((2R,3R)-2-ethyl-3-(2-((2R,3R)-2-ethyl-3-methyloxiran-2-yl)ethyl)oxiran-2-yl)-3-hydroxy-4-methylpentanoyl)-4-methyl-5-phenyloxazolidin-2-one; (4R,5S)-3-[(2R,3S,4S)-2-ethyl-5-[(3R)-2-ethyl-3-[2-[(2R,3R)-2-ethyl-3-methyl-oxiran-2-yl]ethyl]oxiran-2-yl]-3-hydroxy-4-methyl-pentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one |
| 32556 | LSC ZINC000062234213 |
5 | C26 H53 N O7 P | InChI=1S/C26H52NO7P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-17-18-19-20-26(29)32- 23-25(28)24-34-35(30,31)3 3-22-21-27(2,3)4/h12-13,2 5,28H,5-11,14-24H2,1-4H3/ p+1/b13-12+/t25-/m1/s1; YAMUFBLWGFFICM-ZOGNMOHXSA-O |
CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P ](O)(=O)OCC[N+](C)(C)C; CCCCCCCCC=CCCCCC CCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O; C CCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](CO[P@](= O)(O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O) (OCC[N+](C)(C)C)O)CCCCCCC/C=C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O) (=O)OCC[N+](C)(C)C |
(4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide |
| 32557 | LSD CHEMBL145347 DB11423 ZINC000004216707 |
2 | C34 H54 O8 | InChI=1S/C34H54O8/c1-9-25 (31-21(6)18-34(11-3,42-31 )26-16-17-33(40,10-2)23(8 )41-26)30(37)22(7)28(35)1 9(4)12-14-24-15-13-20(5)2 9(36)27(24)32(38)39/h13,1 5,19,21-23,25-26,28,31,35 -36,40H,9-12,14,16-18H2,1 -8H3,(H,38,39)/t19-,21+,2 2+,23+,25+,26-,28+,31+,33 -,34+/m1/s1; BBMULGJBVDDDNI-OWKLGTHSSA-N |
O=C(O)c1c(O)c(ccc1CCC(C)C(O)C(C(=O)C(CC) C2OC(CC2C)(C3OC(C)C(O)(CC)CC3)CC)C)C; CC C(C1C(CC(O1)(CC)C2CCC(C(O2)C)(CC)O)C)C(= O)C(C)C(C(C)CCc3ccc(c(c3C(=O)O)O)C)O; CC [C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]2C C[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@ @H](O)[C@H](C)CCc3ccc(C)c(O)c3C(O)=O; CC [CH]([CH]1O[C](CC)(C[CH]1C)[CH]2CC[C](O) (CC)[CH](C)O2)C(=O)[CH](C)[CH](O)[CH](C) CCc3ccc(C)c(O)c3C(O)=O; CC[C@H]([C@@H]1[ C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H]( O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C )CCc3ccc(c(c3C(=O)O)O)C)O |
Lasalocid A; 6-[(3R,4S,5S,7R)-7-{(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methyltetrahydrofuran-2-yl}-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid |
| 32558 | LSE | 5 | C18 H36 O10 Se Si | InChI=1S/C18H36O10SeSi/c1 -29-8-10-16(28-18-14(23)1 2(21)11(20)9(7-19)26-18)1 3(22)15(24)17(27-10)25-5- 6-30(2,3)4/h9-24H,5-8H2,1 -4H3/t9-,10-,11+,12+,13-, 14-,15-,16-,17-,18+/m1/s1; DAHDBHYUNUXOAL-MUKCROHVSA-N |
C[Si](C)(C)CCOC1C(C(C(C(O1)C[Se]C)OC2C(C (C(C(O2)CO)O)O)O)O)O; C[Se]C[CH]1O[CH](O CC[Si](C)(C)C)[CH](O)[CH](O)[CH]1O[CH]2O [CH](CO)[CH](O)[CH](O)[CH]2O; O(C1C(OC(O CC[Si](C)(C)C)C(O)C1O)C[Se]C)C2OC(C(O)C( O)C2O)CO; C[Si](C)(C)CCO[C@H]1[C@@H]([C@ H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]( [C@H]([C@H]([C@H](O2)CO)O)O)O)O)O; C[Se] C[C@H]1O[C@@H](OCC[Si](C)(C)C)[C@H](O)[C @@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O) [C@H](O)[C@H]2O |
2-(trimethylsilyl)ethyl 4-O-beta-D-galactopyranosyl-6-Se-methyl-6-seleno-beta-D-glucopyranoside |
| 32559 | LSF | 1 | C17 H17 N3 O3 | InChI=1S/C17H17N3O3/c1-11 -5-6-18-10-14(11)19-15(21 )8-12-3-2-4-13(7-12)23-17 -9-16(22)20-17/h2-7,10,17 H,8-9H2,1H3,(H,19,21)(H,2 0,22)/t17-/m1/s1; OWPHHWQTUZCDRN-QGZVFWFLSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)O[C@@H]3CC(=O) N3; Cc1ccncc1NC(=O)Cc2cccc(O[C@@H]3CC(=O )N3)c2; Cc1ccncc1NC(=O)Cc2cccc(O[CH]3CC( =O)N3)c2; Cc1ccncc1NC(=O)Cc1cccc(OC2CC(= O)N2)c1; Cc1ccncc1NC(=O)Cc2cccc(c2)OC3CC (=O)N3 |
N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide |
| 32560 | LSG CHEMBL1169814 ZINC000053295703 |
1 | C16 H17 F I N3 O4 | InChI=1S/C16H17FIN3O4/c1- 9(23)14-8-11(16(24)20-25- 6-5-22)15(21(14)2)19-13-4 -3-10(18)7-12(13)17/h3-4, 7-8,19,22H,5-6H2,1-2H3,(H ,20,24); WRHOGNMBUWCIAC-UHFFFAOYSA-N |
Cn1c(Nc2ccc(I)cc2F)c(cc1C(C)=O)C(=O)NOCC O; CC(=O)c1cc(c(n1C)Nc2ccc(cc2F)I)C(=O)N OCCO; Ic1ccc(c(F)c1)Nc2c(cc(C(=O)C)n2C)C (=O)NOCCO |
5-acetyl-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1-methyl-1H-pyrrole-3-carboxamide |
| 32561 | LSH ZINC000584905613 |
0 | C11 H16 N3 O10 P S | InChI=1S/C11H16N3O10PS/c1 -5-2-14(10(17)12-8(5)16)9 -6-7(15)11(24-9,3-23-25(1 8,19)20)4-26(21,22)13-6/h 2,6-7,9,13,15H,3-4H2,1H3, (H,12,16,17)(H2,18,19,20) /t6-,7+,9-,11+/m1/s1; BWIQWTUDCFCICX-SZVQBCOZSA-N |
CC1=CN([CH]2O[C]3(CO[P](O)(O)=O)C[S](=O) (=O)N[CH]2[CH]3O)C(=O)NC1=O; CC1=CN(C(=O )NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(= O)(=O)N3)COP(=O)(O)O)O; CC1=CN([C@@H]2O[ C@@]3(CO[P](O)(O)=O)C[S](=O)(=O)N[C@@H]2 [C@@H]3O)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C 2C3C(C(O2)(CS(=O)(=O)N3)COP(=O)(O)O)O |
[(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate |
| 32562 | LSI | 2 | C22 H22 N2 O5 Ru S | InChI=1S/C17H17N2O5S.C5H5 .Ru/c1-9-8-25-16-13(15(22 )19(16)14(9)17(23)24)18-1 2(21)7-6-11(20)10-4-2-3-5 -10;1-2-4-5-3-1;/h2-5,13, 16H,6-8H2,1H3,(H,18,21)(H ,23,24);1-5H;/t13-,16-;;/ m1../s1; VVYXHQVDQWFSGH-DRUSRECESA-N |
O=C1C(C2SCC(C)=C(C(=O)O)N12)NC(=O)CCC(=O )C%10%13[Ru]84569%12%11(C7C3C4C5C67)C(C9 %10)C%11C%12%13; CC1=C(N2C(C(C2=O)NC(=O) CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2 C34)SC1)C(=O)O; [Ru].CC1=C(N2[C@H](SC1)[ C@H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4 CCCC4; CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O) CCC(=O)C34C5[Ru]3678923(C5C6C74)C4C8C9C2 C34)SC1)C(=O)O; [Ru].CC1=C(N2[CH](SC1)[C H](NC(=O)CCC(=O)C3CCCC3)C2=O)C(O)=O.C4CC CC4 |
ruthenocenyl-7-aminodesacetoxycephalosporanic acid |
| 32563 | LSJ CHEMBL3120317 |
1 | C25 H25 N O4 S | InChI=1S/C25H25NO4S/c1-4- 20(17-9-7-11-19(15-17)26- 31(3,27)28)25-21-12-5-6-1 3-22(21)30-16-18-10-8-14- 23(29-2)24(18)25/h5-15,26 H,4,16H2,1-3H3/b25-20-; PHIKAOOZNGLKDI-QQTULTPQSA-N |
O=S(=O)(Nc1cccc(c1)/C(=C2/c4c(OCc3c2c(OC )ccc3)cccc4)CC)C; CCC(=C1c2ccccc2OCc3c1c (ccc3)OC)c4cccc(c4)NS(=O)(=O)C; CCC(\c1c ccc(N[S](C)(=O)=O)c1)=C2/c3ccccc3OCc4ccc c(OC)c24; CC/C(=C/1\c2ccccc2OCc3c1c(ccc3 )OC)/c4cccc(c4)NS(=O)(=O)C; CCC(c1cccc(N [S](C)(=O)=O)c1)=C2c3ccccc3OCc4cccc(OC)c 24 |
N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide |
| 32564 | LSK CHEMBL5206272 |
6 | C29 H36 N10 O7 | InChI=1S/C29H36N10O7/c1-4 5-27(43)16-9-15-5-6-17(11 -18(15)19(40)10-16)38-29( 44)33-8-4-2-3-7-32-28(31) 34-12-20-22(41)23(42)26(4 6-20)39-14-37-21-24(30)35 -13-36-25(21)39/h5-6,9-11 ,13-14,20,22-23,26,40-42H ,2-4,7-8,12H2,1H3,(H2,30, 35,36)(H3,31,32,34)(H2,33 ,38,44)/t20-,22-,23-,26-/ m1/s1; UBOFQOGNZXZZPE-HUBRGWSESA-N |
COC(=O)c1cc2ccc(cc2c(c1)O)NC(=O)NCCCCCNC (=N)NCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O; COC (=O)c1cc(O)c2cc(NC(=O)NCCCCCNC(=N)NC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc c2c1; [H]/N=C(/NCCCCCNC(=O)Nc1ccc2cc(cc( c2c1)O)C(=O)OC)\NC[C@@H]3[C@H]([C@H]([C@ @H](O3)n4cnc5c4ncnc5N)O)O; COC(=O)c1cc(O )c2cc(NC(=O)NCCCCCNC(=N)NC[C@H]3O[C@H]([ C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)ccc2c1 |
methyl 6-[5-[[~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]carbamimidoyl]amino]pentylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate |
| 32565 | LSL CHEMBL5208990 |
1 | C13 H14 N2 O2 S | InChI=1S/C13H14N2O2S/c16- 13(15-17)12-3-1-10(2-4-12 )7-14-8-11-5-6-18-9-11/h1 -6,9,14,17H,7-8H2,(H,15,1 6); UUYNWXQYZUGELG-UHFFFAOYSA-N |
ONC(=O)c1ccc(CNCc2cscc2)cc1; ONC(=O)c1cc c(CNCc2ccsc2)cc1; c1cc(ccc1CNCc2ccsc2)C( =O)NO |
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide |
| 32566 | LSM | 5 | C24 H46 O10 Se | InChI=1S/C24H46O10Se/c1-2 -3-4-5-6-7-8-9-10-11-12-3 5-24-21(31)19(29)22(16(14 -26)33-24)34-23-20(30)18( 28)17(27)15(13-25)32-23/h 15-31H,2-14H2,1H3/t15-,16 -,17-,18+,19-,20-,21-,22- ,23-,24+/m1/s1; MEIBWTYMLPEGMV-ALYNCGSASA-N |
CCCCCCCCCCCC[Se][CH]1O[CH](CO)[CH](O[CH] 2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[C H]1O; CCCCCCCCCCCC[Se]C1C(C(C(C(O1)CO)OC 2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCCCCCC[S e][C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H]( CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H ]1O; CCCCCCCCCCCC[Se][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)O)O)O; O(C1C(OC([ Se]CCCCCCCCCCCC)C(O)C1O)CO)C2OC(C(O)C(O) C2O)CO |
dodecyl 4-O-alpha-D-glucopyranosyl-1-seleno-beta-D-glucopyranoside; DODECYL-BETA-D-SELENOMALTOSIDE |
| 32567 | LSN CHEMBL191 DB00678 ZINC000003873160 |
26 | C22 H23 Cl N6 O | InChI=1S/C22H23ClN6O/c1-2 -3-8-20-24-21(23)19(14-30 )29(20)13-15-9-11-16(12-1 0-15)17-6-4-5-7-18(17)22- 25-27-28-26-22/h4-7,9-12, 30H,2-3,8,13-14H2,1H3,(H, 25,26,27,28); PSIFNNKUMBGKDQ-UHFFFAOYSA-N |
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]n n4)CO)Cl; CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2) c3ccccc3c4n[nH]nn4 |
[2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol; Losartan |
| 32568 | LSO ZINC000058660601 |
0 | C16 H26 N2 O9 S | InChI=1S/C16H26N2O9S/c17- 13(16(24)25)3-1-2-8-18-11 (4-6-14(20)21)9-28(26,27) 10-12(19)5-7-15(22)23/h13 H,1-10,17H2,(H,20,21)(H,2 2,23)(H,24,25)/b18-11+/t1 3-/m0/s1; VZZTXTHYLVASGB-FHXOWUIVSA-N |
N[CH](CCCCN=C(CCC(O)=O)C[S](=O)(=O)CC(=O )CCC(O)=O)C(O)=O; N[C@@H](CCCCN=C(CCC(O) =O)C[S](=O)(=O)CC(=O)CCC(O)=O)C(O)=O; C( CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O) CC(C(=O)O)N; C(CC/N=C(\CCC(=O)O)/CS(=O)( =O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N; O=S( =O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O )CCC(=O)O |
(Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE; 2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID |
| 32569 | LSP DB04731 |
0 | C7 H17 N O7 P | InChI=1S/C7H16NO7P/c1-6(9 )13-4-7(10)5-15-16(11,12) 14-3-2-8/h7,10H,2-5,8H2,1 H3,(H,11,12)/p+1/t7-/m0/s 1; CWRILEGKIAOYKP-ZETCQYMHSA-O |
CC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[NH3+])O ; CC(=O)OC[CH](O)CO[P](O)(=O)OCC[NH3+]; CC(=O)OC[C@H](O)CO[P@](O)(=O)OCC[NH3+]; O=C(OCC(O)COP(=O)(OCC[NH3+])O)C; CC(=O)O CC(COP(=O)(O)OCC[NH3+])O |
(7S)-4,7-DIHYDROXY-10-OXO-3,5,9-TRIOXA-4-PHOSPHAUNDECAN-1-AMINIUM 4-OXIDE; 1-ACETYL-2-LYSO-SN-GLYCERO-3-PHOSPHOETHANOLAMINE |
| 32570 | LSQ CHEMBL4450225 ZINC000000334870 |
1 | C9 H9 Cl O2 | InChI=1S/C9H9ClO2/c10-8-3 -1-2-7(6-8)4-5-9(11)12/h1 -3,6H,4-5H2,(H,11,12); CLTDVBQNUHHYCA-UHFFFAOYSA-N |
OC(=O)CCc1cccc(Cl)c1; c1cc(cc(c1)Cl)CCC( =O)O |
3-(3-chlorophenyl)propanoic acid |
| 32571 | LSR DB08127 ZINC000058639152 |
6 | C15 H24 | InChI=1S/C15H24/c1-6-12(2 )9-10-14-13(3)8-7-11-15(1 4,4)5/h6,9-10H,7-8,11H2,1 -5H3/b10-9+,12-6+; KUEVAPFABUUVHS-AYCKBHPDSA-N |
C\C=C(/C)\C=C\C1=C(CCCC1(C)C)C; C\C=C(C) \C=C\C1=C(C)CCCC1(C)C; CC=C(C)C=CC1=C(C) CCCC1(C)C; CC=C(C)C=CC1=C(CCCC1(C)C)C; C (/C1=C(CCCC1(C)C)C)=C\C(=C\C)C |
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene |
| 32572 | LSS CHEMBL1163081 ZINC000033821383 |
19 | C16 H25 N7 O7 S | InChI=1S/C16H25N7O7S/c1-7 (2)3-8(17)15(26)22-31(27, 28)29-4-9-11(24)12(25)16( 30-9)23-6-21-10-13(18)19- 5-20-14(10)23/h5-9,11-12, 16,24-25H,3-4,17H2,1-2H3, (H,22,26)(H2,18,19,20)/t8 -,9+,11+,12+,16+/m0/s1; XFEDFDTWJLGMBO-LEJQEAHTSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2c nc3c2ncnc3N)O)O)N; O=C(NS(=O)(=O)OCC3OC( n2cnc1c(ncnc12)N)C(O)C3O)C(N)CC(C)C; CC( C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O)n2cnc3c(N)ncnc23; CC(C)C[C @H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C @H](O)[C@@H]1O)n2cnc3c(N)ncnc23 |
5'-O-(L-leucylsulfamoyl)adenosine; 5-O-N-LEUCYL-SULFAMOYLADENOSINE |
| 32573 | LST ZINC000584905615 |
0 | C12 H18 N3 O10 P S | InChI=1S/C12H18N3O10PS/c1 -6-3-15(11(18)13-9(6)17)1 0-7-8(16)12(25-10,4-24-26 (19,20)21)5-27(22,23)14(7 )2/h3,7-8,10,16H,4-5H2,1- 2H3,(H,13,17,18)(H2,19,20 ,21)/t7-,8+,10-,12+/m1/s1; GLEXYOQXMPFGCY-CCCLYZFWSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@ @](O2)(CS(=O)(=O)N3C)COP(=O)(O)O)O; CN1[ C@@H]2[C@H](O)[C@](CO[P](O)(O)=O)(C[S]1( =O)=O)O[C@H]2N3C=C(C)C(=O)NC3=O; CC1=CN( C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3C)COP (=O)(O)O)O; CN1[CH]2[CH](O)[C](CO[P](O)( O)=O)(C[S]1(=O)=O)O[CH]2N3C=C(C)C(=O)NC3 =O |
[(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate |
| 32574 | LSU CHEMBL4467328 |
1 | C15 H24 N4 O9 S | InChI=1S/C15H24N4O9S/c1-7 (2)5-8(16)13(23)18-29(25, 26)27-6-9-11(21)12(22)14( 28-9)19-4-3-10(20)17-15(1 9)24/h3-4,7-9,11-12,14,21 -22H,5-6,16H2,1-2H3,(H,18 ,23)(H,17,20,24)/t8-,9+,1 1+,12+,14+/m0/s1; ZSXZGQLSAQIVTI-XKYXEJCGSA-N |
CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[C H]([CH](O)[CH]1O)N2C=CC(=O)NC2=O; CC(C)C [C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@ H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N; CC(C )C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H ]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O; CC(C )CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=CC(= O)NC2=O)O)O)N |
5'-O-(N-(L-Leucyl)-Sulfamoyl)Uridine |
| 32575 | LSV CHEMBL4466517 |
4 | C21 H23 N5 O4 | InChI=1S/C21H23N5O4/c1-21 (13-27)11-14-9-16(17(10-1 8(14)30-21)25-5-7-29-8-6- 25)24-20(28)15-12-23-26-4 -2-3-22-19(15)26/h2-4,9-1 0,12,27H,5-8,11,13H2,1H3, (H,24,28)/t21-/m1/s1; JLKSBHRAVFWETB-OAQYLSRUSA-N |
CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c 4nccc5)CO; c45cc(NC(c1c2n(nc1)cccn2)=O)c (N3CCOCC3)cc4OC(C5)(C)CO; C[C@]1(CO)Cc2c c(NC(=O)c3cnn4cccnc34)c(cc2O1)N5CCOCC5; C[C]1(CO)Cc2cc(NC(=O)c3cnn4cccnc34)c(cc2 O1)N5CCOCC5; C[C@@]1(Cc2cc(c(cc2O1)N3CCO CC3)NC(=O)c4cnn5c4nccc5)CO |
N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 32576 | LSW CHEMBL212710 ZINC000034867476 |
1 | C27 H34 N4 O5 | InChI=1S/C27H34N4O5/c28-1 5-7-6-12-22(30-23(26(33)3 4)14-13-18-8-2-1-3-9-18)2 5(32)31-24(27(35)36)16-19 -17-29-21-11-5-4-10-20(19 )21/h1-5,8-11,17,22-24,29 -30H,6-7,12-16,28H2,(H,31 ,32)(H,33,34)(H,35,36)/t2 2-,23-,24-/m0/s1; JXNGDSIPMBNTNL-HJOGWXRNSA-N |
NCCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N [CH](Cc2c[nH]c3ccccc23)C(O)=O; c1ccc(cc1 )CCC(C(=O)O)NC(CCCCN)C(=O)NC(Cc2c[nH]c3c 2cccc3)C(=O)O; NCCCC[C@H](N[C@@H](CCc1cc ccc1)C(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc 23)C(O)=O; c1ccc(cc1)CC[C@@H](C(=O)O)N[C @@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc 3)C(=O)O |
N~2~-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-tryptophan |
| 32577 | LSX ZINC000219081495 |
2 | C12 H18 N O6 P | InChI=1S/C12H18NO6P/c1-13 (15)12(14)8-7-11(20(16,17 )18)9-3-5-10(19-2)6-4-9/h 3-6,11,15H,7-8H2,1-2H3,(H 2,16,17,18)/t11-/m0/s1; VLBYPFQOJHBTHH-NSHDSACASA-N |
COc1ccc(cc1)[C@H](CCC(=O)N(C)O)[P](O)(O) =O; O=P(O)(O)C(c1ccc(OC)cc1)CCC(=O)N(O)C ; CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O) O)O; CN(C(=O)CCC(c1ccc(cc1)OC)P(=O)(O)O) O; COc1ccc(cc1)[CH](CCC(=O)N(C)O)[P](O)( O)=O |
[(1S)-4-[hydroxy(methyl)amino]-1-(4-methoxyphenyl)-4-oxobutyl]phosphonic acid |
| 32578 | LSY ZINC000001649176 |
1 | C6 H14 N4 O2 | InChI=1S/C6H14N4O2/c1-9(2 )5(11)7-8-6(12)10(3)4/h1- 4H3,(H,7,11)(H,8,12); RAUKYARZDOSMOO-UHFFFAOYSA-N |
CN(C)C(=O)NNC(=O)N(C)C; CN(C)C(NNC(=O)N( C)C)=O |
N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide |
| 32579 | LSZ | 1 | C32 H36 N6 O5 | InChI=1S/C32H36N6O5/c1-5- 42-29-8-6-22(21(2)39)19-2 8(29)34-31(40)24-16-23(27 -10-11-37(4)35-27)17-25(1 8-24)33-32(41)30-9-7-26(4 3-30)20-38-14-12-36(3)13- 15-38/h6-11,16-19H,5,12-1 5,20H2,1-4H3,(H,33,41)(H, 34,40); UOPWJMNPOBVGRX-UHFFFAOYSA-N |
CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccc (o3)CN4CCN(CC4)C)c5ccn(n5)C)C(=O)C; CCOc 1ccc(cc1NC(=O)c2cc(NC(=O)c3oc(CN4CCN(C)C C4)cc3)cc(c2)c5ccn(C)n5)C(C)=O |
~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide |
| 32580 | LT0 | 1 | C14 H17 N3 O4 | InChI=1S/C14H17N3O4/c15-1 0(13(19)17-12(7-18)14(20) 21)5-8-6-16-11-4-2-1-3-9( 8)11/h1-4,6,10,12,16,18H, 5,7,15H2,(H,17,19)(H,20,2 1)/t10-,12+/m1/s1; MYVYPSWUSKCCHG-PWSUYJOCSA-N |
N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C( O)=O; N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@ @H](CO)C(O)=O; c1ccc2c(c1)c(c[nH]2)CC(C( =O)NC(CO)C(=O)O)N; c1ccc2c(c1)c(c[nH]2)C [C@H](C(=O)N[C@@H](CO)C(=O)O)N |
D-tryptophyl-L-serine; (2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid; D-Trp-Ser dipeptide |
| 32581 | LT1 CHEMBL1234093 ZINC000001747835 |
1 | C9 H11 Cl | InChI=1S/C9H11Cl/c10-8-4- 7-9-5-2-1-3-6-9/h1-3,5-6H ,4,7-8H2; XZBXAYCCBFTQHH-UHFFFAOYSA-N |
c1ccc(cc1)CCCCl; ClCCCc1ccccc1 | (3-chloropropyl)benzene |
| 32582 | LT2 | 2 | C8 H7 N O3 | InChI=1S/C8H7NO3/c10-6-1- 4-5(2-7(6)11)9-3-8(4)12/h 1-2,8-9,12H,3H2/t8-/m1/s1; LXXQZMIOKXLXPT-MRVPVSSYSA-N |
C1C(C2=CC(=O)C(=O)C=C2N1)O; O[CH]1CNC2=C C(=O)C(=O)C=C12; O=C1C=C2C(=CC1=O)NCC2O; O[C@@H]1CNC2=CC(=O)C(=O)C=C12; C1[C@H]( C2=CC(=O)C(=O)C=C2N1)O |
(3S)-3-hydroxy-2,3-dihydro-1H-indole-5,6-dione |
| 32583 | LT3 ZINC000026290186 |
2 | C12 H12 F3 N | InChI=1S/C12H12F3N/c13-12 (14,15)9-3-1-2-6-7-4-5-8( 10(6)9)11(7)16/h1-3,7-8,1 1H,4-5,16H2/t7-,8+,11-/m0 /s1; HHIJEPNAHYLKPE-RNSXUZJQSA-N |
N[C@H]1[C@H]2CC[C@@H]1c3c2cccc3C(F)(F)F; c1cc2c(c(c1)C(F)(F)F)C3CCC2C3N; c1cc2c( c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N; N [CH]1[CH]2CC[CH]1c3c2cccc3C(F)(F)F; FC(F )(F)c1cccc2c1C3CCC2C3N |
(1S,4R,9S)-5-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-9-amine |
| 32584 | LT4 CHEMBL1437 DB00368 |
0 | C8 H11 N O3 | InChI=1S/C8H11NO3/c9-4-8( 12)5-1-2-6(10)7(11)3-5/h1 -3,8,10-12H,4,9H2/t8-/m0/ s1; SFLSHLFXELFNJZ-QMMMGPOBSA-N |
c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc( cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1 |
Norepinephrine; Noradrenaline |
| 32585 | LT5 DB08129 ZINC000001566179 |
2 | C9 H10 F3 N O | InChI=1S/C9H10F3NO/c10-9( 11,12)7-3-1-2-6(4-7)8(14) 5-13/h1-4,8,14H,5,13H2/t8 -/m0/s1; RRBRWAPWPGAJMA-QMMMGPOBSA-N |
c1cc(cc(c1)C(F)(F)F)C(CN)O; NC[CH](O)c1c ccc(c1)C(F)(F)F; NC[C@H](O)c1cccc(c1)C(F )(F)F; c1cc(cc(c1)C(F)(F)F)[C@H](CN)O; F C(F)(F)c1cccc(c1)C(O)CN |
(1R)-2-amino-1-[3-(trifluoromethyl)phenyl]ethanol; 3-Trifluoromethyl phenylethanolamine |
| 32586 | LT6 CHEMBL1091916 ZINC000049072695 |
2 | C23 H29 F N2 O4 | InChI=1S/C23H29FN2O4/c1-3 -4-13-26(2)23(29)22-19(24 )11-8-12-20(22)30-16-21(2 8)25-18(15-27)14-17-9-6-5 -7-10-17/h5-12,18,27H,3-4 ,13-16H2,1-2H3,(H,25,28)/ t18-/m0/s1; XFQXPLKWVDQXAD-SFHVURJKSA-N |
CCCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[CH](CO) Cc2ccccc2; CCCCN(C)C(=O)c1c(cccc1F)OCC(= O)NC(Cc2ccccc2)CO; CCCCN(C)C(=O)c1c(cccc 1F)OCC(=O)N[C@@H](Cc2ccccc2)CO; CCCCN(C) C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc2cccc c2 |
2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide |
| 32587 | LT7 ZINC000000564327 |
1 | C13 H17 N3 O | InChI=1S/C13H17N3O/c1-9(2 )14-8-12-15-13(16-17-12)1 1-6-4-10(3)5-7-11/h4-7,9, 14H,8H2,1-3H3; XQOSNFJUNZPHAW-UHFFFAOYSA-N |
CC(C)NCc1onc(n1)c2ccc(C)cc2; Cc1ccc(cc1) c2nc(on2)CNC(C)C |
~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine |
| 32588 | LT8 CHEMBL4550663 ZINC000002506147 |
1 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-4-1-2-5-9(8)12-7-3- 6-11-12/h1-7H,(H,13,14); MHACZVWKWUMHRR-UHFFFAOYSA-N |
OC(=O)c1ccccc1n2cccn2; c1ccc(c(c1)C(=O)O )n2cccn2 |
2-pyrazol-1-ylbenzoic acid |
| 32589 | LT9 | 1 | C17 H15 Cl N2 O2 | InChI=1S/C17H15ClN2O2/c1- 11-5-6-19-10-15(11)20-16( 22)17(8-14(21)9-17)12-3-2 -4-13(18)7-12/h2-7,10H,8- 9H2,1H3,(H,20,22); NYGOHBKHNOCJCL-UHFFFAOYSA-N |
O=C(Nc1cnccc1C)C1(CC(=O)C1)c1cccc(Cl)c1; Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(c3)Cl ; Cc1ccncc1NC(=O)C2(CC(=O)C2)c3cccc(Cl)c 3 |
1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide |
| 32590 | LTA ZINC000006439128 |
0 | C10 H22 N2 O3 | InChI=1S/C10H22N2O3/c1-2- 15-10(14)7-9(13)8(12)5-3- 4-6-11/h8-9,13H,2-7,11-12 H2,1H3/t8-,9-/m0/s1; YWYXVAACIALMCZ-IUCAKERBSA-N |
CCOC(=O)CC(C(CCCCN)N)O; CCOC(=O)C[C@@H]( [C@H](CCCCN)N)O; O=C(OCC)CC(O)C(N)CCCCN; CCOC(=O)C[CH](O)[CH](N)CCCCN; CCOC(=O)C [C@H](O)[C@@H](N)CCCCN |
4,8-DIAMINO-3-HYDROXY-OCTANOIC ACID ETHYL ESTER; STATINE ANALOGUE |
| 32591 | LTB CHEMBL65061 DB12961 ZINC000004623738 |
5 | C20 H32 O4 | InChI=1S/C20H32O4/c1-2-3- 4-5-6-9-13-18(21)14-10-7- 8-11-15-19(22)16-12-17-20 (23)24/h6-11,14-15,18-19, 21-22H,2-5,12-13,16-17H2, 1H3,(H,23,24)/b8-7+,9-6-, 14-10+,15-11-/t18-,19-/m1 /s1; VNYSSYRCGWBHLG-AMOLWHMGSA-N |
CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O; CCC CC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O )O)O)O; O=C(O)CCCC(O)\C=C/C=C/C=C/C(O)C\ C=C/CCCCC; CCCCCC=CC[CH](O)C=CC=CC=C[CH] (O)CCCC(O)=O; CCCCC\C=C/C[C@@H](O)\C=C\C =C\C=C/[C@@H](O)CCCC(O)=O |
LEUKOTRIENE B4 |
| 32592 | LTC ZINC000098209129 |
5 | C39 H70 N2 O13 | InChI=1S/C39H70N2O13/c1-5 -7-9-11-12-13-14-15-16-17 -18-20-22-31(45)52-28(24- 49-30(44)21-19-10-8-6-2)2 5-50-39-36(48)37(34(46)29 (23-42)53-39)54-38-33(41- 27(4)43)35(47)32(40)26(3) 51-38/h14-15,26,28-29,32- 39,42,46-48H,5-13,16-25,4 0H2,1-4H3,(H,41,43)/b15-1 4-/t26-,28-,29-,32+,33-,3 4-,35+,36-,37+,38+,39+/m1 /s1; PANDRCFROUDETH-PVQRVOPISA-N |
O=C(NC2C(O)C(N)C(OC2OC1C(O)C(OC(OCC(OC(= O)CCCCC\C=C/CCCCCCC)COC(=O)CCCCCC)C1O)CO )C)C; CCCCCCCC=CCCCCCC(=O)OC(COC1C(C(C(C (O1)CO)O)OC2C(C(C(C(O2)C)N)O)NC(=O)C)O)C OC(=O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[CH]( CO[CH]1O[CH](CO)[CH](O)[CH](O[CH]2O[CH]( C)[CH](N)[CH](O)[CH]2NC(C)=O)[CH]1O)COC( =O)CCCCCC; CCCCCCCC=CCCCCCC(=O)O[C@@H](C O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO) O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N )O)NC(=O)C)O)COC(=O)CCCCCC; CCCCCCC\C=C/ CCCCCC(=O)O[C@@H](CO[C@H]1O[C@H](CO)[C@@ H](O)[C@H](O[C@@H]2O[C@H](C)[C@H](N)[C@H ](O)[C@H]2NC(C)=O)[C@H]1O)COC(=O)CCCCCC |
(2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate; Lipoteichoic acid |
| 32593 | LTD CHEMBL288943 DB11858 ZINC000004632133 |
2 | C25 H40 N2 O6 S | InChI=1S/C25H40N2O6S/c1-2 -3-4-5-6-7-8-9-10-11-12-1 3-16-22(21(28)15-14-17-23 (29)30)34-19-20(26)25(33) 27-18-24(31)32/h6-7,9-13, 16,20-22,28H,2-5,8,14-15, 17-19,26H2,1H3,(H,27,33)( H,29,30)(H,31,32)/b7-6-,1 0-9-,12-11+,16-13+/t20-,2 1-,22+/m0/s1; YEESKJGWJFYOOK-IJHYULJSSA-N |
CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N )C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCC C=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)NC C(=O)O)N; CCCCC/C=C\C/C=C\C=C\C=C\[C@H]( [C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O )N; CCCCCC=CCC=CC=CC=C[CH](SC[CH](N)C(=O )NCC(O)=O)[CH](O)CCCC(O)=O |
(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-azanyl-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid |
| 32594 | LTE | 0 | C18 H29 N9 O5 | InChI=1S/C18H29N9O5/c19-9 (17(30)31)3-1-5-22-18(21) 23-6-2-4-10-12(28)13(29)1 6(32-10)27-8-26-11-14(20) 24-7-25-15(11)27/h7-10,12 -13,16,28-29H,1-6,19H2,(H ,30,31)(H2,20,24,25)(H3,2 1,22,23)/t9-,10+,12+,13+, 16+/m0/s1; BMAYSUQGGXYXQD-UOYPZJKHSA-N |
N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH ]1O)n2cnc3c(N)ncnc23)C(O)=O; N[C@@H](CCC NC(=N)NCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O) n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n(c n2)C3C(C(C(O3)CCCNC(=N)NCCCC(C(=O)O)N)O) O)N; [H]/N=C(/NCCC[C@@H]1[C@H]([C@H]([C@ @H](O1)n2cnc3c2ncnc3N)O)O)\NCCC[C@@H](C( =O)O)N |
1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine |
| 32595 | LTF CHEMBL107313 ZINC000003821308 |
2 | C15 H20 N2 O5 | InChI=1S/C15H20N2O5/c1-4- 5-9-6-10(7-12(20-2)13(9)2 1-3)15-16-11(8-22-15)14(1 8)17-19/h6-7,11,19H,4-5,8 H2,1-3H3,(H,17,18)/t11-/m 1/s1; DGGKRIGJIQRXQD-LLVKDONJSA-N |
CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO; CC Cc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO; C CCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO; CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)N O; O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CC C |
(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide |
| 32596 | LTG ZINC000100006629 |
5 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3(9 )5(11)6(12)4(10)2-8/h3,5- 9,11-12H,1-2H2/t3-,5+,6-/ m0/s1; BJHIKXHVCXFQLS-LFRDXLMFSA-N |
C([C@@H]([C@H]([C@H](C(=O)CO)O)O)O)O; O= C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O )O)O; OC[C@H](O)[C@@H](O)[C@@H](O)C(=O)C O; OC[CH](O)[CH](O)[CH](O)C(=O)CO |
L-tagatose |
| 32597 | LTH CHEMBL2152047 DB11192 ZINC000000901061 |
2 | C4 H8 O5 | InChI=1S/C4H8O5/c5-1-2(6) 3(7)4(8)9/h2-3,5-7H,1H2,( H,8,9)/t2-,3+/m0/s1; JPIJQSOTBSSVTP-STHAYSLISA-N |
OC[CH](O)[CH](O)C(O)=O; O=C(O)C(O)C(O)CO ; OC[C@H](O)[C@@H](O)C(O)=O; C(C(C(C(=O) O)O)O)O; C([C@@H]([C@H](C(=O)O)O)O)O |
(2R,3S)-2,3,4-trihydroxybutanoic acid; L-Threonic acid |
| 32598 | LTI ZINC000103548884 |
1 | C16 H18 N4 O2 S2 | InChI=1S/C16H18N4O2S2/c17 -13(21)12-14(19-16(18)22) 24-20-15(12)23-11-8-4-2-6 -9-5-1-3-7-10(9)11/h1,3,5 ,7,11,20H,2,4,6,8H2,(H2,1 7,21)(H2,18,22)/b19-14-/t 11-/m1/s1; BLCWVDAFBKECPI-PFMFLNCGSA-N |
c1ccc2c(c1)CCCCC2SC3=C(C(=NC(=O)N)SN3)C( =O)N; c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C (=O)N)/SN3)C(=O)N; NC(=O)N=C1SNC(=C1C(N) =O)S[CH]2CCCCc3ccccc23; NC(=O)N=C1SNC(=C 1C(N)=O)S[C@@H]2CCCCc3ccccc23; O=C(/N=C3 \SNC(SC2c1ccccc1CCCC2)=C3C(=O)N)N |
(5Z)-5-(carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydroisothiazole-4-carboxamide |
| 32599 | LTJ | 2 | C20 H25 F N4 O2 | InChI=1S/C20H25FN4O2/c1-4 -6-16(26)24-13-7-5-8-25(1 0-13)19-15(21)9-14(20(22) 27)18-17(19)11(2)12(3)23- 18/h4,6,9,13,23H,5,7-8,10 H2,1-3H3,(H2,22,27)(H,24, 26)/b6-4+/t13-/m0/s1; BCSXUDNOTSZTNK-BPJJOFIESA-N |
C3(CCCN(c1c2c(c(cc1F)C(=O)N)nc(C)c2C)C3) NC(C=[C@H]C)=O; CC=CC(=O)NC1CCCN(C1)c2c( cc(c3c2c(c([nH]3)C)C)C(=O)N)F; C/C=C/C(= O)N[C@H]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c (C)c(C)c23; C/C=C/C(=O)N[C@H]1CCCN(C1)c2 c(cc(c3c2c(c([nH]3)C)C)C(=O)N)F; CC=CC(= O)N[CH]1CCCN(C1)c2c(F)cc(C(N)=O)c3[nH]c( C)c(C)c23 |
4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide |
| 32600 | LTK CHEMBL4435863 |
1 | C16 H15 Cl N2 O2 S2 | InChI=1S/C16H15ClN2O2S2/c 1-10-14-8-12(17)5-6-15(14 )22-16(10)23(20,21)19-13- 4-2-3-11(7-13)9-18/h2-8,1 9H,9,18H2,1H3; OMVVAHZLDYMIPY-UHFFFAOYSA-N |
Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl ; Cc1c2cc(Cl)ccc2sc1[S](=O)(=O)Nc3cccc(C N)c3 |
~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide |