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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 26201 |  GN2 CHEMBL4589484 ZINC000584905560 |
4 | C25 H23 Cl N2 O3 S2 | InChI=1S/C25H23ClN2O3S2/c 26-20-3-1-2-4-22(20)33-23 -21(29)15-25(27-24(23)30, 18-9-14-32-16-18)17-5-7-1 9(8-6-17)28-10-12-31-13-1 1-28/h1-9,14,16,29H,10-13 ,15H2,(H,27,30)/t25-/m0/s 1; SUFXXEIVBZJOAP-VWLOTQADSA-N |
OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3) c4ccc(cc4)N5CCOCC5; c1ccc(c(c1)SC2=C(CC( NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl; c1ccc(c(c1)SC2=C(C[C@](NC2=O)(c3ccc(cc3) N4CCOCC4)c5ccsc5)O)Cl; OC1=C(Sc2ccccc2Cl )C(=O)N[C@](C1)(c3cscc3)c4ccc(cc4)N5CCOC C5 |
(2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one |
| 26202 |  GN3 |
1 | C10 H18 N6 O16 P4 | InChI=1S/C10H18N6O16P4/c1 1-10-13-7-4(8(18)14-10)12 -2-16(7)9-5(17)6(31-34(22 ,23)15-33(19,20)21)3(30-9 )1-29-36(27,28)32-35(24,2 5)26/h2-3,5-6,9,17H,1H2,( H,27,28)(H2,24,25,26)(H3, 11,13,14,18)(H4,15,19,20, 21,22,23)/t3-,5-,6-,9-/m1 /s1; XBDJLYDZMOIGRH-UUOKFMHZSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O )OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O)N; NC1= Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)( =O)O[P](O)(O)=O)[C@@H](O[P](O)(=O)N[P](O )(O)=O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)[CH ]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[ P](O)(=O)N[P](O)(O)=O)[CH]3O; c1nc2c(n1[ C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP (=O)(O)O)OP(=O)(NP(=O)(O)O)O)O)N=C(NC2=O )N |
[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid |
| 26203 |  GN4 ZINC000584623951 |
6 | C8 H16 N O9 P | InChI=1S/C8H16NO9P/c1-3(1 1)9-5-6(12)7(18-19(14,15) 16)4(2-10)17-8(5)13/h4-8, 10,12-13H,2H2,1H3,(H,9,11 )(H2,14,15,16)/t4-,5-,6-, 7-,8-/m1/s1; DHZPCJWLUQMUPF-FMDGEEDCSA-N |
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[P](O) (O)=O)[CH]1O; O=C(C)NC1C(O)OC(C(C1O)OP(O )(O)=O)CO; CC(=O)N[C@@H]1[C@H]([C@@H]([C @H](O[C@H]1O)CO)OP(=O)(O)O)O; CC(=O)NC1C (C(C(OC1O)CO)OP(=O)(O)O)O; CC(=O)N[C@H]1 [C@H](O)O[C@H](CO)[C@@H](O[P](O)(O)=O)[C @@H]1O |
2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucopyranose; 2-(acetylamino)-2-deoxy-4-O-phosphono-beta-D-glucopyranose; 2-acetamido-2-deoxy-4-O-phosphono-beta-D-glucose; 2-acetamido-2-deoxy-4-O-phosphono-D-glucose; 2-acetamido-2-deoxy-4-O-phosphono-glucose |
| 26204 |  GN5 ZINC000263620306 |
2 | C17 H19 N3 O | InChI=1S/C17H19N3O/c1-17( 2,3)12-8-6-11(7-9-12)14-1 9-15-13(16(21)20-14)5-4-1 0-18-15/h4-10,14H,1-3H3,( H,18,19)(H,20,21)/t14-/m0 /s1; CFBOGZARBYDHCN-AWEZNQCLSA-N |
CC(C)(C)c1ccc(cc1)[CH]2NC(=O)c3cccnc3N2; CC(C)(C)c1ccc(cc1)C2Nc3c(cccn3)C(=O)N2; CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O )N2; CC(C)(C)c1ccc(cc1)[C@@H]2NC(=O)c3cc cnc3N2 |
2-(4-TERT-BUTYLPHENYL)-1H,2H,3H,4H-PYRIDO(2,3-D)PYRIMIDIN-4-ONE |
| 26205 |  GN6 CHEMBL4570428 |
1 | C12 H8 Cl2 N4 | InChI=1S/C12H8Cl2N4/c13-8 -4-1-3-7(11(8)14)9-5-2-6- 10-16-12(15)17-18(9)10/h1 -6H,(H2,15,17); JFVBFJXXXHHBSP-UHFFFAOYSA-N |
Nc1nn2c(cccc2c3cccc(Cl)c3Cl)n1; c1cc(c(c (c1)Cl)Cl)c2cccc3n2nc(n3)N; n12nc(nc1ccc c2c3cccc(c3Cl)Cl)N |
5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine |
| 26206 |  GN7 ZINC000058632497 |
0 | C10 H14 N5 O7 P | InChI=1S/C10H14N5O7P/c11- 10-13-8-7(9(17)14-10)15(3 -12-8)6-1-4(16)5(22-6)2-2 1-23(18,19)20/h3-6,16H,1- 2H2,(H2,18,19,20)(H3,11,1 3,14,17)/t4-,5+,6+/m0/s1; QJBOPENFRRNEQL-KVQBGUIXSA-N |
NC1=Nc2ncn([CH]3C[CH](O)[CH](CO[P](O)(O) =O)O3)c2C(=O)N1; O=C3c1c(ncn1C2OC(C(O)C2 )COP(=O)(O)O)N=C(N)N3; c1nc2c(n1[C@H]3C[ C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)NC(=N2 )N; NC1=Nc2ncn([C@H]3C[C@H](O)[C@@H](CO[ P](O)(O)=O)O3)c2C(=O)N1; c1nc2c(n1C3CC(C (O3)COP(=O)(O)O)O)C(=O)NC(=N2)N |
N7-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE |
| 26207 |  GN8 DB07838 ZINC000016479722 |
6 | C17 H12 N2 O4 S2 | InChI=1S/C17H12N2O4S2/c20 -15-12(7-4-8-13(15)19(22) 23)9-14-16(21)18(17(24)25 -14)10-11-5-2-1-3-6-11/h1 -9,20H,10H2/b14-9-; ZTWBCEZQPRYIGY-ZROIWOOFSA-N |
c1ccc(cc1)CN2C(=O)/C(=C/c3cccc(c3O)[N+]( =O)[O-])/SC2=S; Oc1c(cccc1[N+]([O-])=O)C =C2SC(=S)N(Cc3ccccc3)C2=O; c1ccc(cc1)CN2 C(=O)C(=Cc3cccc(c3O)[N+](=O)[O-])SC2=S; S=C1S/C(C(=O)N1Cc2ccccc2)=C\c3cccc([N+]( [O-])=O)c3O; Oc1c(cccc1[N+]([O-])=O)/C=C /2SC(=S)N(Cc3ccccc3)C/2=O |
(Z)-3-BENZYL-5-(2-HYDROXY-3-NITROBENZYLIDENE)-2-THIOXOTHIAZOLIDIN-4-ONE |
| 26208 |  GN9 CHEMBL4519895 |
7 | C31 H54 N4 O7 | InChI=1S/C31H54N4O7/c1-12 -20(6)28(34(9)10)31(40)42 -25(16-19(4)5)30(39)33-23 (15-18(2)3)29(38)32-21(7) 13-14-26(36)35-22(8)24(41 -11)17-27(35)37/h17-23,25 ,28H,12-16H2,1-11H3,(H,32 ,38)(H,33,39)/t20-,21-,22 -,23-,25-,28-/m0/s1; KQLKGAFEYUEPPA-ISUPFBBGSA-N |
CCC(C)C(C(=O)OC(CC(C)C)C(=O)NC(CC(C)C)C( =O)NC(C)CCC(=O)N1C(C(=CC1=O)OC)C)N(C)C; CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(= O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCC(=O)N 1[C@H](C(=CC1=O)OC)C)N(C)C; CC[CH](C)[CH ](N(C)C)C(=O)O[CH](CC(C)C)C(=O)N[CH](CC( C)C)C(=O)N[CH](C)CCC(=O)N1[CH](C)C(=CC1= O)OC; C(C)C(C)C(C(OC(C(=O)NC(C(=O)NC(CCC (=O)N1C(=O)C=C(OC)C1C)C)CC(C)C)CC(C)C)=O )N(C)C; CC[C@H](C)[C@H](N(C)C)C(=O)O[C@@ H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@ H](C)CCC(=O)N1[C@@H](C)C(=CC1=O)OC |
gallinamide A, bound form; (2S)-1-{[(2S)-1-({(2S)-5-[(2S)-3-methoxy-2-methyl-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-5-oxopentan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl N,N-dimethyl-L-isoleucinate |
| 26209 |  GNA DB03420 |
0 | C12 H22 N4 O7 | InChI=1S/C12H22N4O7/c1-4( 18)15-8-5(16-12(13)14)2-7 (11(21)22)23-10(8)9(20)6( 19)3-17/h5-10,17,19-20H,2 -3H2,1H3,(H,15,18)(H,21,2 2)(H4,13,14,16)/t5-,6+,7+ ,8+,9+,10+/m0/s1; DAAUVSVERFXBSX-IHICSVBISA-N |
CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@H] (O)[C@H](O)CO)C(O)=O)NC(N)=N; CC(=O)N[CH ]1[CH](C[CH](O[CH]1[CH](O)[CH](O)CO)C(O) =O)NC(N)=N; CC(=O)NC1C(CC(OC1C(C(CO)O)O) C(=O)O)NC(=N)N; O=C(O)C1OC(C(O)C(O)CO)C( NC(=O)C)C(NC(=[N@H])N)C1; CC(=O)N[C@@H]1 [C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(= O)O)NC(=N)N |
2,4-DEOXY-4-GUANIDINO-5-N-ACETYL-NEURAMINIC ACID |
| 26210 |  GNB |
9 | C18 H24 N4 O10 S | InChI=1S/C18H24N4O10S/c19 -12(17(27)28)5-6-14(23)21 -13(16(26)20-7-15(24)25)9 -33-18(29)32-8-10-1-3-11( 4-2-10)22(30)31/h1-4,12-1 3,18,29H,5-9,19H2,(H,20,2 6)(H,21,23)(H,24,25)(H,27 ,28)/t12-,13-,18?/m0/s1; QYFGPQQSJQOGEO-TVJRNMROSA-N |
c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC (=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]; N[C@ @H](CCC(=O)N[C@@H](CS[C@@H](O)OCc1ccc(cc 1)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O; N[C H](CCC(=O)N[CH](CS[CH](O)OCc1ccc(cc1)[N+ ]([O-])=O)C(=O)NCC(O)=O)C(O)=O; O=C(O)C( N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(OCc1ccc(cc 1)[N+]([O-])=O)O; c1cc(ccc1COC(O)SCC(C(= O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O -] |
S-P-NITROBENZYLOXYCARBONYLGLUTATHIONE |
| 26211 |  GNC ZINC000006068333 |
0 | C6 H12 N2 O3 | InChI=1S/C6H12N2O3/c1-8-4 (6(10)11)2-3-5(7)9/h4,8H, 2-3H2,1H3,(H2,7,9)(H,10,1 1)/t4-/m0/s1; KSZFSNZOGAXEGH-BYPYZUCNSA-N |
CN[C@@H](CCC(=O)N)C(=O)O; CNC(CCC(=O)N)C (=O)O; O=C(O)C(NC)CCC(=O)N; CN[CH](CCC(N )=O)C(O)=O; CN[C@@H](CCC(N)=O)C(O)=O |
N~2~-methyl-L-glutamine |
| 26212 |  GND |
0 | C6 H15 N4 O2 | InChI=1S/C6H14N4O2/c7-4(5 (11)12)2-1-3-10-6(8)9/h4H ,1-3,7H2,(H,11,12)(H4,8,9 ,10)/p+1/t4-/m0/s1; ODKSFYDXXFIFQN-BYPYZUCNSA-O |
[H]/N=C(/N)\NCCC[C@@H](C(=O)O)[NH3+]; [H ]N=C(N)NCCCC(C(=O)O)[NH3+]; O=C(O)C(CCCN C(=[N@H])N)[NH3+]; NC(=N)NCCC[CH]([NH3+] )C(O)=O; NC(=N)NCCC[C@H]([NH3+])C(O)=O |
2-AMINO-5-GUANIDINO-PENTANOIC ACID; L-argininium(2+); L-argininediium |
| 26213 |  GNE ZINC000103543413 |
0 | C12 H14 N5 O7 P | InChI=1S/C12H14N5O7P/c18- 6-3-8(24-7(6)4-23-25(20,2 1)22)17-5-14-9-10(17)15-1 2-13-1-2-16(12)11(9)19/h1 -2,5-8,18H,3-4H2,(H,13,15 )(H2,20,21,22)/t6-,7+,8+/ m0/s1; NCYIUPASQWXGPJ-XLPZGREQSA-N |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C4NC= CN4C2=O; O=C2c3ncn(c3N=C1NC=CN12)C4OC(C( O)C4)COP(=O)(O)O; O[C@H]1C[C@@H](O[C@@H] 1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23; c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O) (O)O)O)N=C4NC=CN4C2=O; O[CH]1C[CH](O[CH] 1CO[P](O)(O)=O)n2cnc3C(=O)N4C=CNC4=Nc23 |
1,N2-ETHENOGUANINE |
| 26214 |  GNF CHEMBL204785 DB07839 ZINC000006718425 |
2 | C25 H32 N4 O3 | InChI=1S/C25H32N4O3/c1-31 -20-13-11-19(12-14-20)26- 15-16-27-24(30)22(17-18-7 -3-2-4-8-18)29-25-28-21-9 -5-6-10-23(21)32-25/h5-6, 9-14,18,22,26H,2-4,7-8,15 -17H2,1H3,(H,27,30)(H,28, 29)/t22-/m0/s1; VFNWTXUFNNOQHD-QFIPXVFZSA-N |
COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3 nc4ccccc4o3; COc1ccc(cc1)NCCNC(=O)C(CC2C CCCC2)Nc3nc4ccccc4o3; COc1ccc(NCCNC(=O)[ CH](CC2CCCCC2)Nc3oc4ccccc4n3)cc1; COc1cc c(NCCNC(=O)[C@H](CC2CCCCC2)Nc3oc4ccccc4n 3)cc1; O=C(NCCNc1ccc(OC)cc1)C(Nc2nc3cccc c3o2)CC4CCCCC4 |
N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE |
| 26215 |  GNG CHEMBL68908 ZINC000000404256 |
8 | C10 H13 N5 O4 | InChI=1S/C10H13N5O4/c11-1 0-13-8-7(9(18)14-10)12-3- 15(8)6-1-4(17)5(2-16)19-6 /h3-6,16-17H,1-2H2,(H3,11 ,13,14,18)/t4-,5+,6+/m0/s 1; YKBGVTZYEHREMT-KVQBGUIXSA-N |
c1nc2c(n1C3CC(C(O3)CO)O)NC(=NC2=O)N; O=C 3N=C(N)Nc1c3ncn1C2OC(C(O)C2)CO; NC1=NC(= O)c2ncn([CH]3C[CH](O)[CH](CO)O3)c2N1; c1 nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=N C2=O)N; NC1=NC(=O)c2ncn([C@H]3C[C@H](O)[ C@@H](CO)O3)c2N1 |
2'-DEOXY-GUANOSINE |
| 26216 |  GNH DB02623 |
13 | C10 H16 N6 O10 P2 | InChI=1S/C10H16N6O10P2/c1 1-10-14-7-4(8(19)15-10)13 -2-16(7)9-6(18)5(17)3(25- 9)1-24-28(22,23)26-27(12, 20)21/h2-3,5-6,9,17-18H,1 H2,(H,22,23)(H3,12,20,21) (H3,11,14,15,19)/t3-,5-,6 -,9-/m1/s1; ZGPDMUBRWRJAQQ-UUOKFMHZSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O) (=O)O[P](N)(O)=O)[CH](O)[CH]3O; O=P(O)(O P(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C 3O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H] (CO[P@@](O)(=O)O[P@@](N)(O)=O)[C@@H](O)[ C@H]3O; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@ H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N= C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O )OP(=O)(N)O)O)O)N=C(NC2=O)N |
AMINOPHOSPHONIC ACID-GUANYLATE ESTER |
| 26217 |  GNI CHEMBL374078 |
2 | C26 H20 Cl2 N2 O5 | InChI=1S/C26H20Cl2N2O5/c2 7-19-9-10-21(20(28)15-19) 34-12-11-29-26(33)23-24(1 8-8-4-5-16(13-18)14-22(31 )32)30-35-25(23)17-6-2-1- 3-7-17/h1-10,13,15H,11-12 ,14H2,(H,29,33)(H,31,32); HINPKGVWVQYESB-UHFFFAOYSA-N |
Clc4ccc(OCCNC(=O)c2c(onc2c1cc(ccc1)CC(=O )O)c3ccccc3)c(Cl)c4; c1ccc(cc1)c2c(c(no2 )c3cccc(c3)CC(=O)O)C(=O)NCCOc4ccc(cc4Cl) Cl; OC(=O)Cc1cccc(c1)c2noc(c3ccccc3)c2C( =O)NCCOc4ccc(Cl)cc4Cl |
(3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID |
| 26218 |  GNJ |
2 | C10 H7 N O6 S | InChI=1S/C10H7NO6S/c12-9- 5-2-1-3-7(18(15,16)17)8(5 )11-4-6(9)10(13)14/h1-4H, (H,11,12)(H,13,14)(H,15,1 6,17); FKTVHRZETGCILU-UHFFFAOYSA-N |
c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O; O C(=O)c1cnc2c(cccc2[S](O)(=O)=O)c1O; c1c( c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O |
4-hydroxy-8-sulfoquinoline-3-carboxylic acid |
| 26219 |  GNK |
1 | C15 H18 Cl N O | InChI=1S/C15H18ClNO/c16-1 2-3-1-11(2-4-12)7-8-17-13 -5-6-14(17)10-15(18)9-13/ h1-4,13-14H,5-10H2/t13-,1 4+; UHYXSJKYMROJDA-OKILXGFUSA-N |
Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1; Cl c1ccc(CCN2[C@H]3CC[C@@H]2CC(=O)C3)cc1; c 1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl; c1cc(ccc1CCN2C3CCC2CC(=O)C3)Cl |
(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one |
| 26220 |  GNL CHEMBL403756 ZINC000012503894 |
7 | C8 H13 N O4 S | InChI=1S/C8H13NO4S/c1-3-9 -5-7(12)6(11)4(2-10)13-8( 5)14-3/h4-8,10-12H,2H2,1H 3/t4-,5-,6+,7-,8-/m1/s1; DRHXTSWSUAJOJZ-JAJWTYFOSA-N |
CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1 )CO)O)O; CC1=N[C@@H]2[C@@H](O)[C@@H](O)[ C@@H](CO)O[C@@H]2S1; CC1=NC2C(C(C(OC2S1) CO)O)O; N1=C(SC2OC(C(O)C(O)C12)CO)C; CC1 =N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 |
(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
| 26221 |  GNM CHEMBL426699 ZINC000000151634 |
2 | C10 H6 Br N O3 | InChI=1S/C10H6BrNO3/c11-7 -3-1-2-5-8(7)12-4-6(9(5)1 3)10(14)15/h1-4H,(H,12,13 )(H,14,15); NKUGXZLINWIUOR-UHFFFAOYSA-N |
c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O; OC(=O)C 1=CNc2c(Br)cccc2C1=O; c2c(c1c(C(C(C(O)=O )=CN1)=O)cc2)Br |
8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| 26222 |  GNO CHEMBL2107783 DB12623 ZINC000072266311 |
1 | C24 H22 N4 O5 S | InChI=1S/C24H22N4O5S/c29- 24(30)18-33-22-5-1-4-20(1 4-22)17-27(34(31,32)23-6- 2-11-25-15-23)16-19-7-9-2 1(10-8-19)28-13-3-12-26-2 8/h1-15H,16-18H2,(H,29,30 ); MFFBXYNKZHTCEY-UHFFFAOYSA-N |
OC(=O)COc1cccc(CN(Cc2ccc(cc2)n3cccn3)[S] (=O)(=O)c4cccnc4)c1; c1cc(cc(c1)OCC(=O)O )CN(Cc2ccc(cc2)n3cccn3)S(=O)(=O)c4cccnc4 |
2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid |
| 26223 |  GNP CHEMBL1233085 DB02082 ZINC000037868676 |
1357 | C10 H17 N6 O13 P3 | InChI=1S/C10H17N6O13P3/c1 1-10-13-7-4(8(19)14-10)12 -2-16(7)9-6(18)5(17)3(28- 9)1-27-32(25,26)29-31(23, 24)15-30(20,21)22/h2-3,5- 6,9,17-18H,1H2,(H,25,26)( H3,11,13,14,19)(H4,15,20, 21,22,23,24)/t3-,5-,6-,9- /m1/s1; UQABYHGXWYXDTK-UUOKFMHZSA-N |
O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1 c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C @@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@] (=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N; c1nc2 c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O )O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O) N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O) (=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O; NC1=N c2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O [P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O |
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER |
| 26224 |  GNQ CHEMBL212604 ZINC000014972012 |
4 | C25 H31 F3 N4 O6 S | InChI=1S/C25H31F3N4O6S/c1 -18(15-29-20-7-9-21(10-8- 20)38-25(26,27)28)30-23(3 3)22(31-24(34)32-11-13-37 -14-12-32)17-39(35,36)16- 19-5-3-2-4-6-19/h2-10,18, 22,29H,11-17H2,1H3,(H,30, 33)(H,31,34)/t18-,22-/m0/ s1; LIOLGHUQUQDMDF-AVRDEDQJSA-N |
C[CH](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[CH](C [S](=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3; O=C (NC(C(=O)NC(C)CNc1ccc(OC(F)(F)F)cc1)CS(= O)(=O)Cc2ccccc2)N3CCOCC3; C[C@@H](CNc1cc c(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc 2ccccc2)NC(=O)N3CCOCC3; CC(CNc1ccc(cc1)O C(F)(F)F)NC(=O)C(CS(=O)(=O)Cc2ccccc2)NC( =O)N3CCOCC3; C[C@@H](CNc1ccc(OC(F)(F)F)c c1)NC(=O)[C@H](C[S](=O)(=O)Cc2ccccc2)NC( =O)N3CCOCC3 |
N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE |
| 26225 |  GNR DB02036 ZINC000000126407 |
2 | C10 H10 N2 O3 S | InChI=1S/C10H10N2O3S/c13- 9(12-15)5-8-10(14)11-6-3- 1-2-4-7(6)16-8/h1-4,8,15H ,5H2,(H,11,14)(H,12,13)/t 8-/m1/s1; UKDWCJNGBPZOBU-MRVPVSSYSA-N |
ONC(=O)C[C@H]1Sc2ccccc2NC1=O; c1ccc2c(c1 )NC(=O)C(S2)CC(=O)NO; c1ccc2c(c1)NC(=O)[ C@H](S2)CC(=O)NO; ONC(=O)C[CH]1Sc2ccccc2 NC1=O; O=C1Nc2c(SC1CC(=O)NO)cccc2 |
2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE |
| 26226 |  GNS ZINC000005830072 |
49 | C6 H13 N O8 S | InChI=1S/C6H13NO8S/c8-1-2 -4(9)5(10)3(6(11)15-2)7-1 6(12,13)14/h2-11H,1H2,(H, 12,13,14)/t2-,3-,4-,5-,6+ /m1/s1; PRDZVHCOEWJPOB-UKFBFLRUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N S(=O)(=O)O)O)O)O; O=S(=O)(O)NC1C(O)C(O)C (OC1O)CO; OC[C@H]1O[C@H](O)[C@H](N[S](O) (=O)=O)[C@@H](O)[C@@H]1O; C(C1C(C(C(C(O1 )O)NS(=O)(=O)O)O)O)O; OC[CH]1O[CH](O)[CH ](N[S](O)(=O)=O)[CH](O)[CH]1O |
2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose; N-SULFO-ALPHA-D-GLUCOSAMINE; 2-deoxy-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-2-(sulfoamino)-D-glucose; 2-deoxy-2-(sulfoamino)-glucose |
| 26227 |  GNT CHEMBL659 DB00674 ZINC000000491073 |
11 | C17 H21 N O3 | InChI=1S/C17H21NO3/c1-18- 8-7-17-6-5-12(19)9-14(17) 21-16-13(20-2)4-3-11(10-1 8)15(16)17/h3-6,12,14,19H ,7-10H2,1-2H3/t12-,14-,17 -/m0/s1; ASUTZQLVASHGKV-JDFRZJQESA-N |
COc1ccc2CN(C)CC[C]34C=C[CH](O)C[CH]3Oc1c 24; C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc 4c3c(ccc4OC)C1)O; CN1CCC23C=CC(CC2Oc4c3c (ccc4OC)C1)O; COc1ccc2CN(C)CC[C@@]34C=C[ C@H](O)C[C@@H]3Oc1c24; OC2C=CC41c3c(ccc( OC)c3OC1C2)CN(CC4)C |
(-)-GALANTHAMINE |
| 26228 |  GNU ZINC000014694365 |
6 | C20 H26 O6 | InChI=1S/C20H26O6/c1-25-1 9-9-13(3-5-17(19)23)7-15( 11-21)16(12-22)8-14-4-6-1 8(24)20(10-14)26-2/h3-6,9 -10,15-16,21-24H,7-8,11-1 2H2,1-2H3/t15-,16-/m1/s1; PUETUDUXMCLALY-HZPDHXFCSA-N |
COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2 )ccc1O; COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2 )OC)O)CO; COc1cc(C[C@H](CO)[C@@H](CO)Cc2 ccc(O)c(OC)c2)ccc1O; COc1cc(ccc1O)C[C@H] (CO)[C@H](Cc2ccc(c(c2)OC)O)CO |
(2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol; (+)-secoisolariciresinol |
| 26229 |  GNV CHEMBL386243 ZINC000000117354 |
2 | C11 H7 N O5 | InChI=1S/C11H7NO5/c13-9-5 -2-1-3-6(10(14)15)8(5)12- 4-7(9)11(16)17/h1-4H,(H,1 2,13)(H,14,15)(H,16,17); YYLVBIBWUBXXRA-UHFFFAOYSA-N |
c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O; OC(=O )c1cccc2c(O)c(cnc12)C(O)=O; c2cc(c1c(c(c (C(O)=O)cn1)O)c2)C(O)=O |
4-hydroxyquinoline-3,8-dicarboxylic acid |
| 26230 |  GNW CHEMBL4470374 ZINC000019230053 |
2 | C11 H15 Cl N2 | InChI=1S/C11H15ClN2/c12-1 1-3-1-2-10(8-11)9-14-6-4- 13-5-7-14/h1-3,8,13H,4-7, 9H2; JTEQMTYOCBFLNH-UHFFFAOYSA-N |
Clc1cccc(CN2CCNCC2)c1; c1cc(cc(c1)Cl)CN2 CCNCC2 |
1-[(3-chlorophenyl)methyl]piperazine |
| 26231 |  GNX |
2 | C6 H13 N O11 S2 | InChI=1S/C6H13NO11S2/c8-1 -2-4(9)5(18-20(14,15)16)3 (6(10)17-2)7-19(11,12)13/ h2-10H,1H2,(H,11,12,13)(H ,14,15,16)/t2-,3-,4-,5-,6 +/m1/s1; AJBMJMMLWNUEAC-UKFBFLRUSA-N |
O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO ; C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O )O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H ](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O; OC[C H]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O[S]( O)(=O)=O)[CH]1O; OC[C@H]1O[C@H](O)[C@H]( N[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H ]1O |
2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose; 2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-3-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-3-O-sulfo-2-(sulfoamino)-glucose |
| 26232 |  GNY CHEMBL217429 ZINC000000151629 |
2 | C13 H13 N O3 | InChI=1S/C13H13NO3/c1-7(2 )8-4-3-5-9-11(8)14-6-10(1 2(9)15)13(16)17/h3-7H,1-2 H3,(H,14,15)(H,16,17); KGDOGYITTVCUJA-UHFFFAOYSA-N |
CC(C)c1cccc2c(O)c(cnc12)C(O)=O; c2c(c(c1 c(c(C(C)C)ccc1)n2)O)C(O)=O; CC(C)c1cccc2 c1ncc(c2O)C(=O)O |
4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid |
| 26233 |  GNZ |
1 | C16 H18 F3 N O | InChI=1S/C16H18F3NO/c17-1 6(18,19)12-3-1-11(2-4-12) 7-8-20-13-5-6-14(20)10-15 (21)9-13/h1-4,13-14H,5-10 H2/t13-,14+; AOEXBMYHDDUFNM-OKILXGFUSA-N |
c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F )(F)F; FC(F)(F)c1ccc(CCN2[C@H]3CC[C@@H]2 CC(=O)C3)cc1; FC(F)(F)c1ccc(CCN2[CH]3CC[ CH]2CC(=O)C3)cc1; c1cc(ccc1CCN2C3CCC2CC( =O)C3)C(F)(F)F |
(1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one |
| 26234 |  GO0 ZINC000058633010 |
2 | C11 H7 Cl2 N O4 | InChI=1S/C11H7Cl2NO4/c12- 5-1-2-6(13)10-8(5)4(3-7(1 5)16)9(14-10)11(17)18/h1- 2,14H,3H2,(H,15,16)(H,17, 18); GQXFZEWSJBOLCT-UHFFFAOYSA-N |
c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)C l; OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O) =O; O=C(O)Cc2c1c(c(Cl)ccc1Cl)nc2C(=O)O |
3-(carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid |
| 26235 |  GO1 ZINC000058626902 |
3 | C11 H7 Cl2 N O4 | InChI=1S/C11H7Cl2NO4/c12- 4-1-5-6(3-8(15)16)10(11(1 7)18)14-9(5)7(13)2-4/h1-2 ,14H,3H2,(H,15,16)(H,17,1 8); UDTYSEWCICAFSB-UHFFFAOYSA-N |
O=C(O)Cc2c1cc(Cl)cc(Cl)c1nc2C(=O)O; c1c( cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl; O C(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O |
3-(carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid |
| 26236 |  GO2 CHEMBL4573600 ZINC000019595252 |
2 | C8 H8 N4 S | InChI=1S/C8H8N4S/c9-7(10) 12-8-11-5-3-1-2-4-6(5)13- 8/h1-4H,(H4,9,10,11,12); QMHWARSFUCGBJK-UHFFFAOYSA-N |
NC(=N)Nc1sc2ccccc2n1; c1ccc2c(c1)nc(s2)N C(=N)N; [H]/N=C(/N)\Nc1nc2ccccc2s1 |
1-(1,3-benzothiazol-2-yl)guanidine |
| 26237 |  GO3 CHEMBL51483 DB13044 ZINC000003775575 |
6 | C30 H30 O8 | InChI=1S/C30H30O8/c1-11(2 )19-15-7-13(5)21(27(35)23 (15)17(9-31)25(33)29(19)3 7)22-14(6)8-16-20(12(3)4) 30(38)26(34)18(10-32)24(1 6)28(22)36/h7-12,33-38H,1 -6H3; QBKSWRVVCFFDOT-UHFFFAOYSA-N |
Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(cc 4c(c3O)c(c(c(c4C(C)C)O)O)C=O)C)O; CC(C)c 1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc 4c(C(C)C)c(O)c(O)c(C=O)c4c3O |
Gossypol |
| 26238 |  GO4 CHEMBL5595640 |
2 | C28 H25 F N6 O2 | InChI=1S/C28H25FN6O2/c1-1 6(18-4-3-5-21(29)12-18)30 -27(37)23-15-34(2)24-9-8- 19(13-22(23)24)20-10-11-3 5-25(14-20)31-28(33-35)32 -26(36)17-6-7-17/h3-5,8-1 7H,6-7H2,1-2H3,(H,30,37)( H,32,33,36)/t16-/m0/s1; MMHXIUIFLQILFX-INIZCTEOSA-N |
CC(c1cccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4c cn5c(c4)nc(n5)NC(=O)C6CC6)C; C[C@@H](c1c ccc(c1)F)NC(=O)c2cn(c3c2cc(cc3)c4ccn5c(c 4)nc(n5)NC(=O)C6CC6)C; C[C@H](NC(=O)c1cn (C)c2ccc(cc12)c3ccn4nc(NC(=O)C5CC5)nc4c3 )c6cccc(F)c6; C[CH](NC(=O)c1cn(C)c2ccc(c c12)c3ccn4nc(NC(=O)C5CC5)nc4c3)c6cccc(F) c6 |
5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide |
| 26239 |  GO5 |
1 | C16 H20 Cl N O | InChI=1S/C16H20ClNO/c17-1 3-6-4-12(5-7-13)8-9-18-14 -2-1-3-15(18)11-16(19)10- 14/h4-7,14-15H,1-3,8-11H2 /t14-,15+; BILOMABRWULRBP-GASCZTMLSA-N |
Clc1ccc(CCN2[CH]3CCC[CH]2CC(=O)C3)cc1; c 1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl; c1cc(ccc1CCN2C3CCCC2CC(=O)C3)Cl; Clc1cc c(CCN2[C@@H]3CCC[C@H]2CC(=O)C3)cc1 |
(1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one |
| 26240 |  GO6 CHEMBL368347 DB12179 ZINC000002020114 |
10 | C20 H26 O6 | InChI=1S/C20H26O6/c1-25-1 9-9-13(3-5-17(19)23)7-15( 11-21)16(12-22)8-14-4-6-1 8(24)20(10-14)26-2/h3-6,9 -10,15-16,21-24H,7-8,11-1 2H2,1-2H3/t15-,16-/m0/s1; PUETUDUXMCLALY-HOTGVXAUSA-N |
COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2 )ccc1O; COc1cc(ccc1O)CC(CO)C(Cc2ccc(c(c2 )OC)O)CO; COc1cc(ccc1O)C[C@@H](CO)[C@@H] (Cc2ccc(c(c2)OC)O)CO; COc1cc(C[C@@H](CO) [C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O |
(2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol; (-)-secoisolariciresinol |
| 26241 |  GO7 CHEMBL4203759 ZINC000526061579 |
1 | C25 H28 F4 N2 O6 | InChI=1S/C25H28F4N2O6/c1- 24(2,34)14-35-17-7-8-18(2 3(30)33)21(12-17)36-20-9- 10-31(13-19(20)26)22(32)1 1-15-3-5-16(6-4-15)37-25( 27,28)29/h3-8,12,19-20,34 H,9-11,13-14H2,1-2H3,(H2, 30,33)/t19-,20+/m1/s1; AUTGNDRENPBZKA-UXHICEINSA-N |
CC(C)(COc1ccc(c(c1)O[C@H]2CCN(C[C@H]2F)C (=O)Cc3ccc(cc3)OC(F)(F)F)C(=O)N)O; CC(C) (O)COc1ccc(C(N)=O)c(O[C@H]2CCN(C[C@H]2F) C(=O)Cc3ccc(OC(F)(F)F)cc3)c1; CC(C)(COc1 ccc(c(c1)OC2CCN(CC2F)C(=O)Cc3ccc(cc3)OC( F)(F)F)C(=O)N)O; CC(C)(O)COc1ccc(C(N)=O) c(O[CH]2CCN(C[CH]2F)C(=O)Cc3ccc(OC(F)(F) F)cc3)c1; c1c(C(N)=O)c(cc(c1)OCC(C)(C)O) OC3CCN(C(=O)Cc2ccc(cc2)OC(F)(F)F)CC3F |
2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide |
| 26242 |  GO8 CHEMBL2144109 ZINC000000186096 |
2 | C8 H11 N5 S | InChI=1S/C8H11N5S/c1-4(2) 14-8-12-5-6(9)10-3-11-7(5 )13-8/h3-4H,1-2H3,(H3,9,1 0,11,12,13); BIJOQOVJTJOJCF-UHFFFAOYSA-N |
CC(C)Sc1[nH]c2c(ncnc2n1)N; CC(C)Sc1[nH]c 2c(N)ncnc2n1 |
8-propan-2-ylsulfanyl-7~{H}-purin-6-amine |
| 26243 |  GO9 |
1 | C13 H28 O8 | InChI=1S/C13H28O8/c14-1-4 -18-7-8-21-12-13(9-17,10- 19-5-2-15)11-20-6-3-16/h1 4-17H,1-12H2; CLVWRDZKTFFQRY-UHFFFAOYSA-N |
C(COCCOCC(CO)(COCCO)COCCO)O; OCCOCCOCC(C O)(COCCO)COCCO |
3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol |
| 26244 |  GOA CHEMBL252557 DB03085 ZINC000004658557 |
104 | C2 H4 O3 | InChI=1S/C2H4O3/c3-1-2(4) 5/h3H,1H2,(H,4,5); AEMRFAOFKBGASW-UHFFFAOYSA-N |
O=C(O)CO; C(C(=O)O)O; OCC(O)=O | GLYCOLIC ACID; HYDROXYACETIC ACID; HYDROXYETHANOIC ACID |
| 26245 |  GOB CHEMBL2207601 ZINC000089469613 |
2 | C24 H25 N3 O7 S | InChI=1S/C24H25N3O7S/c1-3 3-20-15-21(34-2)22(14-19( 20)26-23(28)12-13-24(29)3 0)35(31,32)27(17-6-4-3-5- 7-17)18-10-8-16(25)9-11-1 8/h3-11,14-15H,12-13,25H2 ,1-2H3,(H,26,28)(H,29,30); LOWPPNMRMWEKTJ-UHFFFAOYSA-N |
COc1cc(OC)c(cc1NC(=O)CCC(O)=O)[S](=O)(=O )N(c2ccccc2)c3ccc(N)cc3; O=S(=O)(N(c1ccc cc1)c2ccc(N)cc2)c3cc(c(OC)cc3OC)NC(=O)CC C(=O)O; COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O) (=O)N(c2ccccc2)c3ccc(cc3)N)OC |
4-({5-[(4-aminophenyl)(phenyl)sulfamoyl]-2,4-dimethoxyphenyl}amino)-4-oxobutanoic acid |
| 26246 |  GOC ZINC000009404502 |
2 | C27 H23 N3 O2 S | InChI=1S/C27H23N3O2S/c1-1 7-8-13-24(18(2)14-17)30-2 6(22-15-33-16-23(22)29-30 )28-27(32)21-11-9-20(10-1 2-21)25(31)19-6-4-3-5-7-1 9/h3-14H,15-16H2,1-2H3,(H ,28,32); XTWGDUKLCYCIKR-UHFFFAOYSA-N |
Cc1ccc(n2nc3CSCc3c2NC(=O)c4ccc(cc4)C(=O) c5ccccc5)c(C)c1; Cc1ccc(c(c1)C)n2c(c3c(n 2)CSC3)NC(=O)c4ccc(cc4)C(=O)c5ccccc5 |
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
| 26247 |  GOD CHEMBL4207042 ZINC000585091590 |
1 | C20 H19 F5 N4 O4 | InChI=1S/C20H19F5N4O4/c1- 27-18(31)12-7-14(17(26)28 -8-12)32-15-9-29(10-19(15 ,21)22)16(30)6-11-2-4-13( 5-3-11)33-20(23,24)25/h2- 5,7-8,15H,6,9-10H2,1H3,(H 2,26,28)(H,27,31)/t15-/m0 /s1; FTAFQADCGCSJAH-HNNXBMFYSA-N |
CNC(=O)c1cc(c(nc1)N)OC2CN(CC2(F)F)C(=O)C c3ccc(cc3)OC(F)(F)F; CNC(=O)c1cnc(N)c(O[ C@H]2CN(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc 3)c1; c3c(cc(OC2C(F)(CN(C(=O)Cc1ccc(cc1) OC(F)(F)F)C2)F)c(N)n3)C(=O)NC; CNC(=O)c1 cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc (cc3)OC(F)(F)F; CNC(=O)c1cnc(N)c(O[CH]2C N(CC2(F)F)C(=O)Cc3ccc(OC(F)(F)F)cc3)c1 |
6-amino-5-{[(3S)-4,4-difluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}pyrrolidin-3-yl]oxy}-N-methylpyridine-3-carboxamide |
| 26248 |  GOE CHEMBL4440058 ZINC000006715532 |
2 | C10 H15 N3 O | InChI=1S/C10H15N3O/c1-3-7 -11-10(14)13-9-6-4-5-8(2) 12-9/h4-6H,3,7H2,1-2H3,(H 2,11,12,13,14); AVNDEIYLNKRJSM-UHFFFAOYSA-N |
CCCNC(=O)Nc1cccc(n1)C; CCCNC(=O)Nc1cccc( C)n1 |
1-(6-methylpyridin-2-yl)-3-propyl-urea |
| 26249 |  GOF ZINC000020662364 |
1 | C26 H21 N3 O5 S | InChI=1S/C26H21N3O5S/c1-3 4-21-13-11-20(12-14-21)29 -25(22-15-35(32,33)16-23( 22)28-29)27-26(31)19-9-7- 18(8-10-19)24(30)17-5-3-2 -4-6-17/h2-14H,15-16H2,1H 3,(H,27,31); FETYBXQBGAFWOV-UHFFFAOYSA-N |
COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(= O)c4ccc(cc4)C(=O)c5ccccc5; COc1ccc(cc1)n 2nc3C[S](=O)(=O)Cc3c2NC(=O)c4ccc(cc4)C(= O)c5ccccc5 |
N-[2-(4-methoxyphenyl)-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(phenylcarbonyl)benzamide |
| 26250 |  GOG CHEMBL2420930 ZINC000001640901 |
2 | C8 H6 O5 | InChI=1S/C8H6O5/c9-5-3-1- 2-4(7(10)11)6(5)8(12)13/h 1-3,9H,(H,10,11)(H,12,13); MNUOZFHYBCRUOD-UHFFFAOYSA-N |
OC(=O)c1cccc(O)c1C(O)=O; c1(c(C(O)=O)ccc c1O)C(O)=O; c1cc(c(c(c1)O)C(=O)O)C(=O)O |
3-hydroxybenzene-1,2-dicarboxylic acid |
| 26251 |  GOH ZINC000263621180 |
2 | C11 H10 N6 O | InChI=1S/C11H10N6O/c1-2-6 -17(5-1)11-8(9-13-15-16-1 4-9)12-10(18-11)7-3-4-7/h 1-2,5-7H,3-4H2,(H,13,14,1 5,16); WNHQAZRUEGMEKF-UHFFFAOYSA-N |
c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4; C1C C1c2oc(n3cccc3)c(n2)c4[nH]nnn4 |
5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole |
| 26252 |  GOI ZINC000098208964 |
1 | C29 H39 N3 O6 | InChI=1S/C29H39N3O6/c33-2 0-25-26(34)27(35)28(36)29 (38-25)37-19-18-31-16-14- 30(15-17-31)12-5-13-32-23 -8-3-1-6-21(23)10-11-22-7 -2-4-9-24(22)32/h1-4,6-11 ,25-29,33-36H,5,12-20H2/t 25-,26-,27+,28-,29-/m1/s1; GVUGRCGKZRTSLY-XYPQWYOHSA-N |
OC[C@H]1O[C@@H](OCCN2CCN(CCCN3c4ccccc4C= Cc5ccccc35)CC2)[C@H](O)[C@@H](O)[C@@H]1O ; c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)C CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO) O)O)O; OC[CH]1O[CH](OCCN2CCN(CCCN3c4cccc c4C=Cc5ccccc35)CC2)[CH](O)[CH](O)[CH]1O; O(CCN4CCN(CCCN3c1ccccc1C=Cc2ccccc23)CC4 )C5OC(C(O)C(O)C5O)CO; c1ccc2c(c1)C=Cc3cc ccc3N2CCCN4CCN(CC4)CCOC5C(C(C(C(O5)CO)O) O)O |
2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside |
| 26253 |  GOJ CHEMBL4461273 ZINC000000409316 |
7 | C6 H8 N2 O2 | InChI=1S/C6H8N2O2/c1-2-10 -6(9)5-3-7-8-4-5/h3-4H,2H 2,1H3,(H,7,8); KACZQOKEFKFNDB-UHFFFAOYSA-N |
CCOC(=O)c1c[nH]nc1 | ethyl 1~{H}-pyrazole-4-carboxylate |
| 26254 |  GOK CHEMBL2105763 DB12985 ZINC000035836133 |
10 | C21 H26 N6 O2 | InChI=1S/C21H26N6O2/c1-26 -14-17(18-4-2-3-5-19(18)2 6)11-22-10-15-6-8-27(9-7- 15)21-23-12-16(13-24-21)2 0(28)25-29/h2-5,12-15,22, 29H,6-11H2,1H3,(H,25,28); PAWIYAYFNXQGAP-UHFFFAOYSA-N |
Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C (=O)NO; Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(= O)NO)c4ccccc14 |
2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide |
| 26255 |  GOL CHEMBL692 DB09462 ZINC000000895048 |
922 | C3 H8 O3 | InChI=1S/C3H8O3/c4-1-3(6) 2-5/h3-6H,1-2H2; PEDCQBHIVMGVHV-UHFFFAOYSA-N |
C(C(CO)O)O; OCC(O)CO | GLYCEROL; GLYCERIN; PROPANE-1,2,3-TRIOL |
| 26256 |  GOM |
2 | C15 H22 N6 O9 P | InChI=1S/C15H23N6O9P/c16- 7(1-2-9(22)23)3-28-31(26, 27)29-4-8-11(24)12(25)15( 30-8)21-6-20-10-13(17)18- 5-19-14(10)21/h5-8,11-12, 15,24-25H,1-4,16H2,(H,22, 23)(H,26,27)(H2,17,18,19) /p-1/t7-,8+,11+,12+,15+/m 0/s1; JDELUWYDJMPPMI-SBZSCLMQSA-M |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O -])[NH3+])O)O)N; Nc1ncnc2n(cnc12)[C@@H]3 O[C@H](CO[P]([O-])(=O)OC[C@@H]([NH3+])CC C([O-])=O)[C@@H](O)[C@H]3O; [O-]C(=O)CCC ([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc 12)N)C(O)C3O; c1nc(c2c(n1)n(cn2)C3C(C(C( O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O )O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([ O-])(=O)OC[CH]([NH3+])CCC([O-])=O)[CH](O )[CH]3O |
GLUTAMOL-AMP |
| 26257 |  GON CHEMBL4536298 ZINC000008996415 |
4 | C23 H26 N4 O3 | InChI=1S/C23H26N4O3/c24-2 3(29)17-8-10-27(11-9-17)1 2-13-30-18-6-7-19(21(28)1 4-18)22-20(15-25-26-22)16 -4-2-1-3-5-16/h1-7,14-15, 17,28H,8-13H2,(H2,24,29)( H,25,26); PYIQTHALSLWYHD-UHFFFAOYSA-N |
NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4 ccccc4)CC1; c1ccc(cc1)c2cn[nH]c2c3ccc(cc 3O)OCCN4CCC(CC4)C(=O)N |
1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide |
| 26258 |  GOO CHEMBL427643 |
1 | C6 H13 N O4 | InChI=1S/C6H13NO4/c1-11-6 -2(7)3(8)4(9)5(6)10/h2-6, 8-10H,7H2,1H3/t2-,3+,4+,5 +,6+/m0/s1; NLCVJSNNNWJBCS-YDMGZANHSA-N |
CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O; CO[C @@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O; CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O) N; OC1C(N)C(OC)C(O)C1O; COC1C(C(C(C1O)O) O)N |
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol |
| 26259 |  GOP ZINC000071758446 |
4 | C11 H22 N2 O8 | InChI=1S/C11H22N2O8/c12-8 (17)2-1-5(11(20)21)13-3-6 (15)9(18)10(19)7(16)4-14/ h5-7,9-10,13-16,18-19H,1- 4H2,(H2,12,17)(H,20,21)/t 5-,6-,7+,9+,10+/m0/s1; VPRLICVDSGMIKO-ZSAGQLGGSA-N |
NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH] (O)CO)C(O)=O; C(CC(=O)N)[C@@H](C(=O)O)NC [C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O; N C(=O)CC[C@H](NC[C@H](O)[C@@H](O)[C@H](O) [C@H](O)CO)C(O)=O; C(CC(=O)N)C(C(=O)O)NC C(C(C(C(CO)O)O)O)O |
Glucopine |
| 26260 |  GOQ CHEMBL93353 ZINC000000000052 |
12 | C17 H11 N O7 | InChI=1S/C17H11NO7/c1-23- 12-4-2-3-8-9(12)5-11(18(2 1)22)14-10(17(19)20)6-13- 16(15(8)14)25-7-24-13/h2- 6H,7H2,1H3,(H,19,20); BBFQZRXNYIEMAW-UHFFFAOYSA-N |
COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+ ]([O-])=O; COc1cccc2c1cc(c3c2c4c(cc3C(=O )O)OCO4)[N+](=O)[O-] |
8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid |
| 26261 |  GOR CHEMBL602280 ZINC000002383163 |
8 | C16 H9 N O6 | InChI=1S/C16H9NO6/c18-16( 19)10-6-12-15(23-7-22-12) 14-9-4-2-1-3-8(9)5-11(13( 10)14)17(20)21/h1-6H,7H2, (H,18,19); MEEXETVZNQYRSP-UHFFFAOYSA-N |
OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O -])=O; c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)O CO4)[N+](=O)[O-] |
6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid |
| 26262 |  GOS CHEMBL404748 ZINC000013682453 |
2 | C6 H16 O12 P2 | InChI=1S/C6H16O12P2/c7-3( 1-17-19(11,12)13)5(9)6(10 )4(8)2-18-20(14,15)16/h3- 10H,1-2H2,(H2,11,12,13)(H 2,14,15,16)/t3-,4+,5-,6-/ m1/s1; WOYYTQHMNDWRCW-JGWLITMVSA-N |
C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O ; C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O )O)O)O)O)OP(=O)(O)O; O[C@@H](CO[P](O)(O) =O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)= O; C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(= O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[ CH](O)CO[P](O)(O)=O |
D-Glucitol-1,6-bisphosphate; 1,6-di-O-phosphono-D-glucitol |
| 26263 |  GOT |
1 | C39 H75 O10 P | InChI=1S/C39H75O10P/c1-3- 5-7-9-10-11-12-13-14-15-1 6-19-23-27-38(42)46-32-37 (33-48-50(44,45)47-31-36( 41)30-40)49-39(43)28-24-2 0-17-18-22-26-35-29-34(35 )25-21-8-6-4-2/h34-37,40- 41H,3-33H2,1-2H3,(H,44,45 )/t34-,35+,36+,37+/m0/s1; JWIOKCJPLNKYBQ-UPIAJAFBSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO )O)OC(=O)CCCCCCCC1CC1CCCCCC; CCCCCCCCCCC CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O )OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC; CCC CCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[ C@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CC CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O )(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH] 1CCCCCC |
Phospholipid PG(16:0/cy17:0) |
| 26264 |  GOU |
2 | C12 H13 Cl N6 O | InChI=1S/C12H13ClN6O/c1-6 (2)8-3-7(20-18-8)4-19-5-1 5-9-10(13)16-12(14)17-11( 9)19/h3,5-6H,4H2,1-2H3,(H 2,14,16,17); LLJVEUPHZCRERN-UHFFFAOYSA-N |
CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC(C) c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1 |
6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine |
| 26265 |  GOV ZINC000000570841 |
4 | C11 H15 N O3 | InChI=1S/C11H15NO3/c1-8(1 3)5-12-6-9-2-3-10-11(4-9) 15-7-14-10/h2-4,8,12-13H, 5-7H2,1H3/t8-/m0/s1; VIYPNISBCRFBOV-QMMMGPOBSA-N |
C[C@@H](CNCc1ccc2c(c1)OCO2)O; C[CH](O)CN Cc1ccc2OCOc2c1; CC(O)CNCc1ccc2OCOc2c1; C [C@H](O)CNCc1ccc2OCOc2c1; CC(CNCc1ccc2c( c1)OCO2)O |
(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol |
| 26266 |  GOW CHEMBL3797597 ZINC000653843991 |
4 | C15 H14 N2 O3 | InChI=1S/C15H14N2O3/c1-10 -7-8-12(15(19)17-20)9-13( 10)16-14(18)11-5-3-2-4-6- 11/h2-9,20H,1H3,(H,16,18) (H,17,19); ROYNQMDXPFEFHJ-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO | 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide |
| 26267 |  GOX CHEMBL1213470 DB02376 |
9 | C6 H12 N2 O5 | InChI=1S/C6H12N2O5/c9-1-2 -3(10)4(11)5(12)6(7-2)8-1 3/h2-5,9-13H,1H2,(H,7,8)/ t2-,3-,4+,5-/m1/s1; VBXHGXTYZGYTQG-SQOUGZDYSA-N |
C(C1C(C(C(C(=NO)N1)O)O)O)O; C([C@@H]1[C@ H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O; OC[ CH]1NC(=NO)[CH](O)[CH](O)[CH]1O; OC[C@H] 1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O; OC1 C(O)C(O)C(=N\O)\NC1CO |
(2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL; D-GLUCONHYDROXIMO-1,5-LACTAM |
| 26268 |  GOY CHEMBL11960 ZINC000000155163 |
3 | C11 H20 N2 O | InChI=1S/C11H20N2O/c14-11 (12-7-3-1-4-8-12)13-9-5-2 -6-10-13/h1-10H2; SNOJOKOVTYPHMC-UHFFFAOYSA-N |
C1CCN(CC1)C(=O)N2CCCCC2; O=C(N1CCCCC1)N2 CCCCC2 |
di(piperidin-1-yl)methanone |
| 26269 |  GOZ CHEMBL4596292 |
2 | C20 H26 N6 O2 | InChI=1S/C20H26N6O2/c21-1 5(9-13-5-2-1-3-6-13)20(28 )26-8-4-7-16(26)19(27)24- 12-14-10-17(22)25-18(23)1 1-14/h1-3,5-6,10-11,15-16 H,4,7-9,12,21H2,(H,24,27) (H4,22,23,25)/t15-,16+/m1 /s1; ULOXRVUIRNGIOC-CVEARBPZSA-N |
N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3 cc(N)nc(N)c3; N[C@H](Cc1ccccc1)C(=O)N2CC C[C@H]2C(=O)NCc3cc(N)nc(N)c3; c1ccc(cc1) CC(C(=O)N2CCCC2C(=O)NCc3cc(nc(c3)N)N)N; c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC c3cc(nc(c3)N)N)N |
(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide |
| 26270 |  GP0 ZINC000095920630 |
1 | C11 H15 F N2 O8 | InChI=1S/C11H15FN2O8/c12- 4-1-14(10(20)13-8(4)19)9- 7(18)11(21,3-16)6(17)5(2- 15)22-9/h1,5-7,9,15-18,21 H,2-3H2,(H,13,19,20)/t5-, 6-,7+,9-,11+/m1/s1; ASRLDHHNHXDEKP-RZBPYSQRSA-N |
C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)(CO) O)O)F; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C @@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F; OC[C H]1O[CH]([CH](O)[C](O)(CO)[CH]1O)N2C=C(F )C(=O)NC2=O; FC1=CN(C(=O)NC1=O)C2OC(C(O) C(O)(C2O)CO)CO; OC[C@H]1O[C@H]([C@H](O)[ C@](O)(CO)[C@@H]1O)N2C=C(F)C(=O)NC2=O |
5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-[3-C-(hydroxymethyl)-D-glucosyl]pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-[3-C-(hydroxymethyl)-glucosyl]pyrimidine-2,4(1H,3H)-dione |
| 26271 |  GP1 DB03111 ZINC000004097029 |
9 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-3-5 (10)4(9)2(1-8)14-6(3)15-1 6(11,12)13/h2-6,8-10H,1,7 H2,(H2,11,12,13)/t2-,3-,4 -,5-,6-/m1/s1; YMJBYRVFGYXULK-QZABAPFNSA-N |
N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O )(O)=O; O=P(OC1OC(C(O)C(O)C1N)CO)(O)O; N [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H ]1O[P](O)(O)=O; C([C@@H]1[C@H]([C@@H]([C @H]([C@H](O1)OP(=O)(O)O)N)O)O)O; C(C1C(C (C(C(O1)OP(=O)(O)O)N)O)O)O |
2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose; GLUCOSAMINE 1-PHOSPHATE; 1-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-1-O-phosphono-D-glucose; 2-amino-2-deoxy-1-O-phosphono-glucose |
| 26272 |  GP2 CHEMBL1164951 DB03486 ZINC000013549556 |
4 | C11 H17 N5 O10 P2 | InChI=1S/C11H17N5O10P2/c1 2-11-14-8-5(9(19)15-11)13 -2-16(8)10-7(18)6(17)4(26 -10)1-25-28(23,24)3-27(20 ,21)22/h2,4,6-7,10,17-18H ,1,3H2,(H,23,24)(H2,20,21 ,22)(H3,12,14,15,19)/t4-, 6-,7-,10-/m1/s1; OCJWYBKRHNXUME-KQYNXXCUSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ ](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O; c 1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O) O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C H]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O )[CH]3O; O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1 c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C @@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O )O)O)O)O)N=C(NC2=O)N |
PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER |
| 26273 |  GP3 DB03931 ZINC000085426282 |
5 | C20 H27 N10 O18 P3 | InChI=1S/C20H27N10O18P3/c 21-19-25-13-7(15(35)27-19 )23-3-29(13)17-11(33)9(31 )5(45-17)1-43-49(37,38)47 -51(41,42)48-50(39,40)44- 2-6-10(32)12(34)18(46-6)3 0-4-24-8-14(30)26-20(22)2 8-16(8)36/h3-6,9-12,17-18 ,31-34H,1-2H2,(H,37,38)(H ,39,40)(H,41,42)(H3,21,25 ,27,35)(H3,22,26,28,36)/t 5-,6-,9-,10-,11-,12-,17-, 18-/m1/s1; AAXYAFFKOSNMEB-MHARETSRSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ ](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H ]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC( =Nc56)N)[C@@H](O)[C@H]3O; c1nc2c(n1[C@H] 3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP (=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]( [C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N= C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O )OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5 N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N; NC1=Nc2 n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P ](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[ CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3 O |
DIGUANOSINE-5'-TRIPHOSPHATE |
| 26274 |  GP4 ZINC000005830060 |
3 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-3-4 (9)5(15-16(11,12)13)2(1-8 )14-6(3)10/h2-6,8-10H,1,7 H2,(H2,11,12,13)/t2-,3-,4 -,5-,6+/m1/s1; QWDBGVNDGYUIAC-UKFBFLRUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N )O)OP(=O)(O)O)O; C(C1C(C(C(C(O1)O)N)O)OP (=O)(O)O)O; N[CH]1[CH](O)O[CH](CO)[CH](O [P](O)(O)=O)[CH]1O; N[C@H]1[C@@H](O)O[C@ H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O; O=P( O)(O)OC1C(OC(O)C(N)C1O)CO |
2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose; GLUCOSAMINE 4-PHOSPHATE; N-acetyl-4-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-4-O-phosphono-D-glucose; 2-amino-2-deoxy-4-O-phosphono-glucose |
| 26275 |  GP5 |
2 | C20 H29 N10 O24 P5 | InChI=1S/C20H29N10O24P5/c 21-19-25-13-7(15(35)27-19 )23-3-29(13)17-11(33)9(31 )5(49-17)1-47-55(37,38)51 -57(41,42)53-59(45,46)54- 58(43,44)52-56(39,40)48-2 -6-10(32)12(34)18(50-6)30 -4-24-8-14(30)26-20(22)28 -16(8)36/h3-6,9-12,17-18, 31-34H,1-2H2,(H,37,38)(H, 39,40)(H,41,42)(H,43,44)( H,45,46)(H3,21,25,27,35)( H3,22,26,28,36)/t5-,6+,9- ,10+,11-,12+,17-,18+; RELSGTOCAPVUGP-DTFXMBEISA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O) (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P ](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc 6C(=O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n 1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O )(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[ P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O 4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O) N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@H](CO [P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@ @](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H ](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc56)N)[C@H] (O)[C@@H]3O |
DIGUANOSINE-PENTAPHOSPHATE |
| 26276 |  GP6 DB04336 ZINC000002047873 |
1 | C14 H13 Cl N4 O | InChI=1S/C14H13ClN4O/c15- 10-3-7-12(8-4-10)19-14(20 )18-11-5-1-9(2-6-11)13(16 )17/h1-8H,(H3,16,17)(H2,1 8,19,20); HQWKMDKTTCPCMQ-UHFFFAOYSA-N |
[H]N=C(c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)N; [H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/ N; Clc2ccc(NC(=O)Nc1ccc(C(=[N@H])N)cc1)c c2; NC(=N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 |
1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA |
| 26277 |  GP7 ZINC000058626948 |
16 | C36 H68 N O8 P | InChI=1S/C36H68NO8P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-36(39)45-34(33 -44-46(40,41)43-31-30-37) 32-42-35(38)28-26-24-22-2 0-18-16-14-12-10-8-6-4-2/ h7,9,13,15,34H,3-6,8,10-1 2,14,16-33,37H2,1-2H3,(H, 40,41)/b9-7+,15-13+/t34-/ m1/s1; NMIBJXZODRRZEA-NTSPIXPOSA-N |
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC (=O)CCCCCCCC=CCC=CCCC; CCCCCCCCCCCCCCC(= O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC =CCC=CCCC; CCCCCCCCCCCCCCC(=O)OC[C@H](CO [P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C\C\C=C\C CC; O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC) COP(=O)(OCCN)O)CCCCCCCCCCCCCC; CCCCCCCCC CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC( =O)CCCCCCCC=CC/C=C/CCC |
(1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate; 1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine |
| 26278 |  GP8 CHEMBL1233097 DB03337 ZINC000000009048 |
1 | C20 H18 N4 O2 | InChI=1S/C20H18N4O2/c21-1 9(22)14-6-8-15(9-7-14)23- 20(25)24-16-10-12-18(13-1 1-16)26-17-4-2-1-3-5-17/h 1-13H,(H3,21,22)(H2,23,24 ,25); ZHCAYBOLUMAUQX-UHFFFAOYSA-N |
O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2cccc c2)cc3; c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3cc c(cc3)C(=N)N; NC(=N)c1ccc(NC(=O)Nc2ccc(O c3ccccc3)cc2)cc1 |
1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA |
| 26279 |  GP9 |
14 | C3 H7 O6 P | InChI=1S/C3H9O6P/c4-1-3(5 )2-9-10(6,7)8/h3-5H,1-2H2 ,(H2,6,7,8)/p-2/t3-/m1/s1; AWUCVROLDVIAJX-GSVOUGTGSA-L |
OC[CH](O)CO[P]([O-])([O-])=O; OC[C@@H](O )CO[P]([O-])([O-])=O; [O-]P([O-])(=O)OCC (O)CO; C(C(COP(=O)([O-])[O-])O)O |
(2R)-2,3-dihydroxypropyl phosphate |
| 26280 |  GPA CHEMBL20667 ZINC000002384694 |
3 | C4 H10 N4 O2 | InChI=1S/C4H10N4O2/c5-2(3 (9)10)1-8-4(6)7/h2H,1,5H2 ,(H,9,10)(H4,6,7,8)/t2-/m 0/s1; XNBJHKABANTVCP-REOHCLBHSA-N |
N[C@@H](CNC(N)=N)C(O)=O; [H]/N=C(/N)\NC[ C@@H](C(=O)O)N; O=C(O)C(N)CNC(=[N@H])N; N[CH](CNC(N)=N)C(O)=O; [H]N=C(N)NCC(C(=O )O)N |
2-AMINO-3-GUANIDINO-PROPIONIC ACID |
| 26281 |  GPB CHEMBL439973 ZINC000003874328 |
1 | C21 H23 N5 O5 | InChI=1S/C21H23N5O5/c1-11 -17-14(10-23-18(17)26-21( 22)24-11)7-4-12-2-5-13(6- 3-12)19(29)25-15(20(30)31 )8-9-16(27)28/h2-3,5-6,10 ,15H,4,7-9H2,1H3,(H,25,29 )(H,27,28)(H,30,31)(H3,22 ,23,24,26)/t15-/m0/s1; FICRNCFTTZHHPO-HNNXBMFYSA-N |
Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N [C@@H](CCC(=O)O)C(=O)O; Cc1nc(N)nc2[nH]c c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O) =O)c12; Cc1nc(N)nc2[nH]cc(CCc3ccc(cc3)C( =O)N[CH](CCC(O)=O)C(O)=O)c12; O=C(O)C(NC (=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC( =O)O; Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3) C(=O)NC(CCC(=O)O)C(=O)O |
N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID |
| 26282 |  GPC ZINC000058631636 |
1 | C19 H24 F N8 O11 P | InChI=1S/C19H24FN8O11P/c2 0-9-13(6(3-29)37-16(9)28- 5-23-10-14(28)25-18(22)26 -15(10)32)39-40(34,35)36- 4-7-11(30)12(31)17(38-7)2 7-2-1-8(21)24-19(27)33/h1 -2,5-7,9,11-13,16-17,29-3 1H,3-4H2,(H,34,35)(H2,21, 24,33)(H3,22,25,26,32)/t6 -,7-,9-,11-,12-,13-,16-,1 7-/m1/s1; ZSBUMMSBXYRQAK-FOJQSULLSA-N |
c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C( C(O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO )O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H ](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N; O=C5NC(=Nc1c5ncn1C4OC(CO)C(OP(=O)(O)OCC3 OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C4F)N; NC1= Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H] (O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@ H]4O)N5C=CC(=NC5=O)N)[C@H]3F; NC1=Nc2n(c nc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(=O )OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=NC5= O)N)[CH]3F |
2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE |
| 26283 |  GPD ZINC000058661248 |
8 | C16 H26 N6 O13 P2 | InChI=1S/C16H26N6O13P2/c1 -5-6(17)2-7(23)15(32-5)34 -37(29,30)35-36(27,28)31- 3-8-10(24)11(25)14(33-8)2 2-4-19-9-12(22)20-16(18)2 1-13(9)26/h4-8,10-11,14-1 5,23-25H,2-3,17H2,1H3,(H, 27,28)(H,29,30)(H3,18,20, 21,26)/t5-,6+,7+,8-,10-,1 1-,14-,15-/m1/s1; DRNSMVBRYJDNAT-CYCRINRGSA-N |
C[C@H]1O[C@H](O[P@@](O)(=O)O[P@](O)(=O)O C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(= O)NC(=Nc34)N)[C@@H](O)C[C@@H]1N; CC1C(CC (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c nc4c3N=C(NC4=O)N)O)O)O)N; C[C@@H]1[C@H]( C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)( O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c 3N=C(NC4=O)N)O)O)O)N; C[CH]1O[CH](O[P](O )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH] 2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)C[CH]1N; O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC (n2c3N=C(N)NC(=O)c3nc2)C(O)C4O |
(2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl |
| 26284 |  GPE DB15872 ZINC000004095590 |
5 | C5 H14 N O6 P | InChI=1S/C5H14NO6P/c6-1-2 -11-13(9,10)12-4-5(8)3-7/ h5,7-8H,1-4,6H2,(H,9,10)/ t5-/m1/s1; JZNWSCPGTDBMEW-RXMQYKEDSA-N |
C(CO[P@](=O)(O)OC[C@@H](CO)O)N; C(COP(=O )(O)OCC(CO)O)N; NCCO[P](O)(=O)OC[CH](O)C O; NCCO[P@@](O)(=O)OC[C@H](O)CO; O=P(OCC (O)CO)(OCCN)O |
L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE |
| 26285 |  GPF CHEMBL95764 ZINC000003872713 |
2 | C3 H8 N O5 P | InChI=1S/C3H8NO5P/c5-3(6) 1-4-2-10(7,8)9/h4H,1-2H2, (H,5,6)(H2,7,8,9); XDDAORKBJWWYJS-UHFFFAOYSA-N |
OC(=O)CNC[P](O)(O)=O; C(C(=O)O)NCP(=O)(O )O; O=C(O)CNCP(=O)(O)O |
N-(phosphonomethyl)glycine |
| 26286 |  GPG ZINC000058661255 |
2 | C20 H25 N10 O12 P | InChI=1S/C20H25N10O12P/c2 1-19-25-13-7(15(35)27-19) 23-3-29(13)17-11(34)9(32) 6(41-17)2-39-43(37,38)42- 12-10(33)5(1-31)40-18(12) 30-4-24-8-14(30)26-20(22) 28-16(8)36/h3-6,9-12,17-1 8,31-34H,1-2H2,(H,37,38)( H3,21,25,27,35)(H3,22,26, 28,36)/t5-,6-,9-,10-,11-, 12-,17-,18-/m1/s1; YYNDAHWXMRBBRC-MHARETSRSA-N |
O=C6NC(=Nc1c6ncn1C5OC(CO)C(O)C5OP(=O)(O) OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)N; c1 nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P @@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5 cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O) (=O)O[CH]4[CH](O)[CH](CO)O[CH]4n5cnc6C(= O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n1C3C (C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C( NC6=O)N)CO)O)O)O)N=C(NC2=O)N; NC1=Nc2n(c nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[ C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n5cnc6C(= O)NC(=Nc56)N)[C@@H](O)[C@H]3O |
GUANYLYL-2',5'-PHOSPHOGUANOSINE |
| 26287 |  GPH ZINC000058631562 |
0 | C7 H15 O10 P | InChI=1S/C7H15O10P/c8-1-2 (9)5-6(17-18(13,14)15)3(1 0)4(11)7(12)16-5/h2-12H,1 H2,(H2,13,14,15)/t2-,3-,4 +,5-,6+,7-/m1/s1; JDFMKMOMBHLESC-XQCVOTFFSA-N |
OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH] 1O[P](O)(O)=O; O=P(O)(O)OC1C(OC(O)C(O)C1 O)C(O)CO; OC[C@@H](O)[C@H]1O[C@@H](O)[C@ @H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O; C(C( C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@ H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1) O)O)O)OP(=O)(O)O)O)O |
4-O-phosphono-D-glycero-beta-D-manno-heptopyranose; 4-O-phosphono-D-glycero-beta-D-manno-heptose; 4-O-phosphono-D-glycero-D-manno-heptose; 4-O-phosphono-D-glycero-manno-heptose |
| 26288 |  GPI CHEMBL6367 DB01951 ZINC000003827029 |
1 | C20 H28 N2 O4 | InChI=1S/C20H28N2O4/c1-4- 20(2,3)17(23)18(24)22-12- 6-10-16(22)19(25)26-13-7- 9-15-8-5-11-21-14-15/h5,8 ,11,14,16H,4,6-7,9-10,12- 13H2,1-3H3/t16-/m0/s1; OQAHHWOPVDDWHD-INIZCTEOSA-N |
CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc2ccc nc2; CCC(C)(C)C(=O)C(=O)N1CCC[CH]1C(=O)O CCCc2cccnc2; CCC(C)(C)C(=O)C(=O)N1CCC[C@ H]1C(=O)OCCCc2cccnc2; O=C(OCCCc1cccnc1)C 2N(C(=O)C(=O)C(C)(C)CC)CCC2 |
(2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE; GPI-1046 |
| 26289 |  GPJ DB04539 |
29 | C3 H9 N O5 P | InChI=1S/C3H8NO5P/c5-3(6) 1-4-2-10(7,8)9/h4H,1-2H2, (H,5,6)(H2,7,8,9)/p+1; XDDAORKBJWWYJS-UHFFFAOYSA-O |
C(C(=O)O)[NH2+]CP(=O)(O)O; OC(=O)C[NH2+] C[P](O)(O)=O; O=C(O)C[NH2+]CP(=O)(O)O |
GLYPHOSATE |
| 26290 |  GPK CHEMBL4081944 ZINC000034400982 |
1 | C10 H13 F N2 O7 | InChI=1S/C10H13FN2O7/c11- 3-1-13(10(19)12-8(3)18)9- 7(17)6(16)5(15)4(2-14)20- 9/h1,4-7,9,14-17H,2H2,(H, 12,18,19)/t4-,5-,6+,7-,9- /m1/s1; YHWGRVDTEORPPJ-XSEHCYKFSA-N |
OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C( F)C(=O)NC2=O; OC[C@H]1O[C@H]([C@H](O)[C@ @H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O; FC1=C N(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO; C1=C(C (=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C @H](O2)CO)O)O)O)F; C1=C(C(=O)NC(=O)N1C2C (C(C(C(O2)CO)O)O)O)F |
5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione |
| 26291 |  GPL ZINC000058631639 |
0 | C16 H26 N7 O9 P | InChI=1S/C16H26N7O9P/c17- 7(15(27)28)3-1-2-4-20-33( 29,30)31-5-8-10(24)11(25) 14(32-8)23-6-19-9-12(23)2 1-16(18)22-13(9)26/h6-8,1 0-11,14,24-25H,1-5,17H2,( H,27,28)(H2,20,29,30)(H3, 18,21,22,26)/t7-,8+,10+,1 1+,14+/m0/s1; FYWIJTNESKGCIU-TWBCTODHSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(NCCCCC(C(=O) O)N)O)O)O)N=C(NC2=O)N; N[CH](CCCCN[P](O) (=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(= O)NC(=Nc23)N)C(O)=O; c1nc2c(n1[C@H]3[C@@ H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H ](C(=O)O)N)O)O)O)N=C(NC2=O)N; N[C@@H](CC CCN[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C @@H]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O; O=C (O)C(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c2N=C(N )NC1=O)C(O)C3O |
LYSINE GUANOSINE-5'-MONOPHOSPHATE |
| 26292 |  GPM ZINC000024987860 |
6 | C7 H15 O8 P | InChI=1S/C7H15O8P/c8-1-3- 5(9)7(11)6(10)4(15-3)2-16 (12,13)14/h3-11H,1-2H2,(H 2,12,13,14)/t3-,4-,5-,6+, 7+/m1/s1; XRMRHVWWWWFMKR-OVHBTUCOSA-N |
OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O) [CH]1O; C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O) O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1) CP(=O)(O)O)O)O)O)O; O=P(O)(O)CC1OC(C(O)C (O)C1O)CO; OC[C@H]1O[C@H](C[P](O)(O)=O)[ C@H](O)[C@@H](O)[C@@H]1O |
(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol; GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID; Alpha-1 phosphonomethylene-D-glucopyranose |
| 26293 |  GPN |
0 | C11 H16 N7 O4 | InChI=1S/C11H15N7O4/c12-1 -2-17(4-7(20)21)6(19)3-18 -5-14-8-9(18)15-11(13)16- 10(8)22/h5H,1-4,12H2,(H,2 0,21)(H3,13,15,16,22)/p+1; WYRWRGIGYVLOGE-UHFFFAOYSA-O |
NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C( =O)N1; c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O )N=C(NC2=O)N; O=C(O)CN(C(=O)Cn1c2N=C(NC( =O)c2nc1)N)CC[NH3+] |
2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE |
| 26294 |  GPO |
0 | C7 H15 O10 P | InChI=1S/C7H15O10P/c8-1-2 (9)5-6(17-18(13,14)15)3(1 0)4(11)7(12)16-5/h2-12H,1 H2,(H2,13,14,15)/t2-,3-,4 +,5-,6+,7-/m1/s1; JDFMKMOMBHLESC-XQCVOTFFSA-N |
OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH] 1O[P](O)(O)=O; O=P(O)(O)OC1C(OC(O)C(O)C1 O)C(O)CO; OC[C@@H](O)[C@H]1O[C@@H](O)[C@ @H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O; C(C( C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@ H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1) O)O)O)OP(=O)(O)O)O)O |
4-O-phosphono-D-glycero-beta-D-manno-heptopyranose; 4-O-phosphono-D-glycero-beta-D-manno-heptose; 4-O-phosphono-D-glycero-D-manno-heptose; 4-O-phosphono-D-glycero-manno-heptose |
| 26295 |  GPP CHEMBL41342 DB02552 ZINC000008215849 |
96 | C10 H20 O7 P2 | InChI=1S/C10H20O7P2/c1-9( 2)5-4-6-10(3)7-8-16-19(14 ,15)17-18(11,12)13/h5,7H, 4,6,8H2,1-3H3,(H,14,15)(H 2,11,12,13)/b10-7+; GVVPGTZRZFNKDS-JXMROGBWSA-N |
CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C; CC( =CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C; CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O )=O; CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)( O)=O; O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O )(O)O |
GERANYL DIPHOSPHATE |
| 26296 |  GPQ CHEMBL2041081 ZINC000084704255 |
1 | C10 H13 Cl N2 O7 | InChI=1S/C10H13ClN2O7/c11 -3-1-13(10(19)12-8(3)18)9 -7(17)6(16)5(15)4(2-14)20 -9/h1,4-7,9,14-17H,2H2,(H ,12,18,19)/t4-,5-,6+,7-,9 -/m1/s1; NONSBAHWXCNSII-XSEHCYKFSA-N |
OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C( Cl)C(=O)NC2=O; ClC1=CN(C(=O)NC1=O)C2OC(C (O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N1C2C(C(C (C(O2)CO)O)O)O)Cl; OC[C@H]1O[C@H]([C@H]( O)[C@@H](O)[C@@H]1O)N2C=C(Cl)C(=O)NC2=O; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C @@H]([C@H](O2)CO)O)O)O)Cl |
5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione; 5-chloro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-chloro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-chloro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione |
| 26297 |  GPR DB01834 ZINC000015685338 |
10 | C24 H27 N3 O7 S | InChI=1S/C24H27N3O7S/c25- 17(24(33)34)9-10-19(28)27 -18(23(32)26-11-20(29)30) 12-35-22-16-8-4-2-6-14(16 )13-5-1-3-7-15(13)21(22)3 1/h1-8,17-18,21-22,31H,9- 12,25H2,(H,26,32)(H,27,28 )(H,29,30)(H,33,34)/t17-, 18-,21+,22+/m0/s1; JNNIZILNBMPOAC-MOXQZVSFSA-N |
c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(= O)O)NC(=O)CCC(C(=O)O)N; c1ccc2c(c1)-c3cc ccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O) O)NC(=O)CC[C@@H](C(=O)O)N; N[C@@H](CCC(= O)N[C@@H](CS[C@H]1[C@H](O)c2ccccc2c3cccc c13)C(=O)NCC(O)=O)C(O)=O; O=C(O)C(N)CCC( =O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc 2)C3O; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O) c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O |
(9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE |
| 26298 |  GPS DB04187 ZINC000012501153 |
12 | C24 H27 N3 O7 S | InChI=1S/C24H27N3O7S/c25- 17(24(33)34)9-10-19(28)27 -18(23(32)26-11-20(29)30) 12-35-22-16-8-4-2-6-14(16 )13-5-1-3-7-15(13)21(22)3 1/h1-8,17-18,21-22,31H,9- 12,25H2,(H,26,32)(H,27,28 )(H,29,30)(H,33,34)/t17-, 18-,21-,22-/m0/s1; JNNIZILNBMPOAC-GPHNJDIKSA-N |
c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(= O)O)NC(=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O )NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2) C3O; c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O) SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C( =O)O)N; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O )c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H]( O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O |
L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine |
| 26299 |  GPT ZINC000058650491 |
6 | C15 H22 F N O4 | InChI=1S/C15H22FNO4/c1-14 (21)11(7-8-16)13(20)17-15 (14,9-18)12(19)10-5-3-2-4 -6-10/h3,5,9-12,19,21H,2, 4,6-8H2,1H3,(H,17,20)/t10 -,11+,12+,14+,15-/m1/s1; XVSPEIROBXUXKM-FUQNVFFISA-N |
C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H ]2CCCC=C2)O)CCF)O; C[C@]1(O)[C@@H](CCF)C (=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2; O =CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2; C [C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[C H]2CCCC=C2; CC1(C(C(=O)NC1(C=O)C(C2CCCC= C2)O)CCF)O |
(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde |
| 26300 |  GPU CHEMBL2041082 ZINC000084671506 |
1 | C10 H13 Br N2 O7 | InChI=1S/C10H13BrN2O7/c11 -3-1-13(10(19)12-8(3)18)9 -7(17)6(16)5(15)4(2-14)20 -9/h1,4-7,9,14-17H,2H2,(H ,12,18,19)/t4-,5-,6+,7-,9 -/m1/s1; QNNGZNNVDUDIOK-XSEHCYKFSA-N |
OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C( Br)C(=O)NC2=O; C1=C(C(=O)NC(=O)N1[C@H]2[ C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1 O)N2C=C(Br)C(=O)NC2=O; BrC1=CN(C(=O)NC1= O)C2OC(C(O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N 1C2C(C(C(C(O2)CO)O)O)O)Br |
5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione; 5-bromo-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-bromo-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione; 5-bromo-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione |
| 26301 |  GPV CHEMBL2040853 ZINC000084671507 |
1 | C10 H13 I N2 O7 | InChI=1S/C10H13IN2O7/c11- 3-1-13(10(19)12-8(3)18)9- 7(17)6(16)5(15)4(2-14)20- 9/h1,4-7,9,14-17H,2H2,(H, 12,18,19)/t4-,5-,6+,7-,9- /m1/s1; NKQVRMXGIOZKRJ-XSEHCYKFSA-N |
C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O) I; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]( [C@@H]([C@H](O2)CO)O)O)O)I; IC1=CN(C(=O) NC1=O)C2OC(C(O)C(O)C2O)CO; OC[C@H]1O[C@H ]([C@H](O)[C@@H](O)[C@@H]1O)N2C=C(I)C(=O )NC2=O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1 O)N2C=C(I)C(=O)NC2=O |
1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-(beta-D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-(D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione; 1-(glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione |
| 26302 |  GPW ZINC000095920631 |
1 | C11 H13 F3 N2 O7 | InChI=1S/C11H13F3N2O7/c12 -11(13,14)3-1-16(10(22)15 -8(3)21)9-7(20)6(19)5(18) 4(2-17)23-9/h1,4-7,9,17-2 0H,2H2,(H,15,21,22)/t4-,5 -,6+,7-,9-/m1/s1; NADUQTKHANBUDE-XSEHCYKFSA-N |
C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O) C(F)(F)F; OC[C@H]1O[C@H]([C@H](O)[C@@H]( O)[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F; FC (F)(F)C1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O) CO; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2 C=C(C(=O)NC2=O)C(F)(F)F; C1=C(C(=O)NC(=O )N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO )O)O)O)C(F)(F)F |
1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; 1-(beta-D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; 1-(D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione; 1-(glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione |
| 26303 |  GPX DB02836 ZINC000016051591 |
2 | C10 H14 N5 O13 P3 | InChI=1S/C10H14N5O13P3/c1 1-10-13-7-4(8(16)14-10)12 -2-15(7)9-6-5(26-31(22,23 )27-6)3(25-9)1-24-30(20,2 1)28-29(17,18)19/h2-3,5-6 ,9H,1H2,(H,20,21)(H,22,23 )(H2,17,18,19)(H3,11,13,1 4,16)/t3-,5-,6-,9-/m1/s1; NGYWTCOGOZELRS-UUOKFMHZSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ @](O)(=O)O[P](O)(O)=O)[C@H]4O[P@@](O)(=O )O[C@@H]34; c1nc2c(n1[C@H]3[C@H]4[C@@H]( [C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@]( =O)(O4)O)N=C(NC2=O)N; c1nc2c(n1C3C4C(C(O 3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(N C2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]( CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O )O[CH]34; O=P3(OC4C(OC(n1c2N=C(N)NC(=O)c 2nc1)C4O3)COP(=O)(O)OP(=O)(O)O)O |
GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE |
| 26304 |  GQ0 |
1 | C13 H15 Cl N6 O | InChI=1S/C13H15ClN6O/c1-1 3(2,3)8-4-7(21-19-8)5-20- 6-16-9-10(14)17-12(15)18- 11(9)20/h4,6H,5H2,1-3H3,( H2,15,17,18); CGJOKOZLBRUKIK-UHFFFAOYSA-N |
CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC (C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1 |
9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine |
| 26305 |  GQ1 ZINC000135965335 |
5 | C6 H12 O9 S | InChI=1S/C6H12O9S/c7-1-2- 5(15-16(11,12)13)3(8)4(9) 6(10)14-2/h2-10H,1H2,(H,1 1,12,13)/t2-,3-,4-,5-,6+/ m1/s1; LOTQRUGOUKUSEY-UKFBFLRUSA-N |
C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([ C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O) OS(=O)(=O)O)O; OC[C@H]1O[C@H](O)[C@H](O) [C@@H](O)[C@@H]1O[S](O)(=O)=O |
4-O-sulfo-alpha-D-glucopyranose; 4-O-sulfo-alpha-D-glucose; 4-O-sulfo-D-glucose; 4-O-sulfo-glucose |
| 26306 |  GQ3 |
1 | C13 H17 Cl N6 O | InChI=1S/C13H17ClN6O/c1-1 3(2,3)8-4-7(21-19-8)5-20- 6-16-9-10(14)17-12(15)18- 11(9)20/h6-7H,4-5H2,1-3H3 ,(H2,15,17,18)/t7-/m1/s1; ZOBMBYDYMBXBEP-SSDOTTSWSA-N |
CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23) C1; CC(C)(C)C1=NO[C@@H](Cn2cnc3c(Cl)nc(N )nc23)C1; CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc( nc3Cl)N |
9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine |
| 26307 |  GQ5 CHEMBL4552313 |
1 | C22 H24 N6 O | InChI=1S/C22H24N6O/c1-14- 4-3-9-28(14)13-21-25-18-7 -6-17(11-19(18)26-21)24-2 2(29)15-5-8-20-16(10-15)1 2-23-27(20)2/h5-8,10-12,1 4H,3-4,9,13H2,1-2H3,(H,24 ,29)(H,25,26)/t14-/m0/s1; QGNDVASWIHEXCL-AWEZNQCLSA-N |
C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4c cc5c(c4)cnn5C; CC1CCCN1Cc2[nH]c3cc(ccc3n 2)NC(=O)c4ccc5c(c4)cnn5C; C[CH]1CCCN1Cc2 [nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2; C[C@H]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C) ncc5c4)ccc3n2 |
1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide |
| 26308 |  GQ6 |
2 | C13 H12 Cl N5 | InChI=1S/C13H12ClN5/c1-8- 2-4-9(5-3-8)6-19-7-16-10- 11(14)17-13(15)18-12(10)1 9/h2-5,7H,6H2,1H3,(H2,15, 17,18); HKQJORIVDVAGIN-UHFFFAOYSA-N |
Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N; Cc1ccc(C n2cnc3c(Cl)nc(N)nc23)cc1 |
6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine |
| 26309 |  GQ7 ZINC000000188736 |
3 | C11 H11 N O2 | InChI=1S/C11H11NO2/c12-9- 3-1-8(2-4-9)11-6-5-10(7-1 3)14-11/h1-6,13H,7,12H2; PGRYIWSQXZECGD-UHFFFAOYSA-N |
Nc1ccc(cc1)c2oc(CO)cc2; c1cc(ccc1c2ccc(o 2)CO)N |
[5-(4-aminophenyl)furan-2-yl]methanol |
| 26310 |  GQ8 |
1 | C24 H26 N6 O | InChI=1S/C24H26N6O/c1-15- 3-2-10-29(15)14-23-27-20- 8-5-18(12-21(20)28-23)26- 24(31)16-4-9-22-17(11-16) 13-25-30(22)19-6-7-19/h4- 5,8-9,11-13,15,19H,2-3,6- 7,10,14H2,1H3,(H,26,31)(H ,27,28)/t15-/m0/s1; FTNYJPRHIRILOI-HNNXBMFYSA-N |
CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c (c4)cnn5C6CC6; C[C@H]1CCCN1Cc2[nH]c3cc(N C(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2; C[C@H] 1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c 4)cnn5C6CC6; C[CH]1CCCN1Cc2[nH]c3cc(NC(= O)c4ccc5n(ncc5c4)C6CC6)ccc3n2 |
1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide |
| 26311 |  GQ9 |
1 | C15 H11 Cl N6 O | InChI=1S/C15H11ClN6O/c16- 12-11-13(21-15(17)20-12)2 2(8-19-11)7-10-6-18-14(23 -10)9-4-2-1-3-5-9/h1-6,8H ,7H2,(H2,17,20,21); UYTXWVZDCZPGRX-UHFFFAOYSA-N |
Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1; c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N |
6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine |
| 26312 |  GQA CHEMBL1650621 |
1 | C6 H7 N O S | InChI=1S/C6H7NOS/c1-7-4-2 -3-5(8)6(7)9/h2-4,8H,1H3; SQEXIHSVVCJZTQ-UHFFFAOYSA-N |
CN1C=CC=C(O)C1=S; CN1C=CC=C(C1=S)O | 1-methyl-3-oxidanyl-pyridine-2-thione |
| 26313 |  GQB |
2 | C17 H16 N4 O S | InChI=1S/C17H16N4OS/c18-1 7-21-13-6-5-10(7-15(13)23 -17)9-19-16(22)14-8-11-3- 1-2-4-12(11)20-14/h1-8,20 -21,23H,9,18H2,(H,19,22); GAUGHKFDIIXTPX-UHFFFAOYSA-N |
c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S= C(N4)N; NC1=[SH]c2cc(CNC(=O)c3[nH]c4cccc c4c3)ccc2N1 |
~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide |
| 26314 |  GQC |
1 | C22 H29 Br N3 | InChI=1S/C22H28BrN3/c1-17 -3-2-4-19(13-17)18-5-7-21 (8-6-18)25-9-11-26(12-10- 25)22-14-20(23)15-24-16-2 2/h2-4,13-16,18,21H,5-12H 2,1H3/p+1/t18-,21-; GPGOZHVXQXMXPF-XGAFWQRZSA-O |
Cc1cccc(c1)[CH]2CC[CH](CC2)[NH+]3CCN(CC3 )c4cncc(Br)c4; Cc1cccc(c1)[C@@H]2CC[C@H] (CC2)[NH+]3CCN(CC3)c4cncc(Br)c4; Cc1cccc (c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br |
1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium |
| 26315 |  GQD CHEMBL3775378 ZINC000263621175 |
1 | C23 H27 N O3 | InChI=1S/C23H27NO3/c1-15( 2)14-24-16(3)12-19-13-20( 25)9-10-21(19)23(24)18-7- 4-17(5-8-18)6-11-22(26)27 /h4-11,13,15-16,23,25H,12 ,14H2,1-3H3,(H,26,27)/b11 -6+/t16-,23-/m1/s1; WHZIOQODOSOYPX-DGIIRHPGSA-N |
C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(c c3)/C=C/C(=O)O)O; CC1Cc2cc(ccc2C(N1CC(C) C)c3ccc(cc3)C=CC(=O)O)O; CC(C)CN1[C@H](C )Cc2cc(O)ccc2[C@H]1c3ccc(\C=C\C(O)=O)cc3 ; CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc( C=CC(O)=O)cc3 |
(E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid |
| 26316 |  GQE CHEMBL3798870 ZINC000653852853 |
4 | C15 H14 N2 O4 | InChI=1S/C15H14N2O4/c1-21 -13-8-7-11(15(19)17-20)9- 12(13)16-14(18)10-5-3-2-4 -6-10/h2-9,20H,1H3,(H,16, 18)(H,17,19); XJRKOVTYPFIMNR-UHFFFAOYSA-N |
COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO | 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide |
| 26317 |  GQF CHEMBL5172880 |
2 | C19 H26 N4 O S | InChI=1S/C19H26N4OS/c1-12 -16(13(2)24)17(14-5-3-4-6 -14)18(21-12)15-11-25-19( 22-15)23-9-7-20-8-10-23/h 11,14,20-21H,3-10H2,1-2H3; HIQSGTMYVPXYRT-UHFFFAOYSA-N |
CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4 CCCC4; Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3) C4CCCC4)C(=O)C |
1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
| 26318 |  GQG CHEMBL4802958 ZINC000007750211 |
1 | C20 H21 N2 | InChI=1S/C20H21N2/c1-21(2 )20-12-14-22(15-13-20)16- 17-8-10-19(11-9-17)18-6-4 -3-5-7-18/h3-15H,16H2,1-2 H3/q+1; IPMPOJHIUNHPOG-UHFFFAOYSA-N |
CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3; C N(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1; N( c1cc[n+](cc1)Cc3ccc(c2ccccc2)cc3)(C)C |
N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine |
| 26319 |  GQH |
16 | C30 H43 N7 O5 S | InChI=1S/C30H43N7O5S/c1-2 0(2)16-26(35-30(40)27(36- 37-32)18-22-8-6-5-7-9-22) 29(39)33-21(3)28(38)34-25 (14-15-43(4,41)42)17-23-1 0-12-24(19-31)13-11-23/h5 -13,20-21,25-27H,14-19,31 H2,1-4H3,(H,33,39)(H,34,3 8)(H,35,40)/t21-,25+,26-, 27-/m0/s1; YICZFGYCCYPNLS-BECWTDFISA-N |
C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc( cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc 2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](NC(=O)[ C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H]( C)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)c c2; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N +]=[N-])C(=O)N[CH](C)C(=O)N[CH](CC[S](C) (=O)=O)Cc2ccc(CN)cc2; CC(C)CC(C(=O)NC(C) C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O )C(Cc2ccccc2)N=[N+]=[N-] |
(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
| 26320 |  GQI |
0 | C5 H8 N2 O5 S | InChI=1S/C5H8N2O5S/c6-3(5 (10)11)2-13-12-7-1-4(8)9/ h1,3H,2,6H2,(H,8,9)(H,10, 11)/b7-1+/t3-/m0/s1; UKPHWYCUZNYAML-COCXTYOSSA-N |
C(C(C(=O)O)N)SON=CC(=O)O; C([C@@H](C(=O) O)N)SO/N=C/C(=O)O; N[CH](CSON=CC(O)=O)C( O)=O; N[C@@H](CSO/N=C/C(O)=O)C(O)=O |
(2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid |
| 26321 |  GQJ ZINC000001393275 |
7 | C11 H13 N O5 | InChI=1S/C11H13NO5/c1-16- 11(15)8-5-7(13)6-12(8)10( 14)9-3-2-4-17-9/h2-4,7-8, 13H,5-6H2,1H3/t7-,8+/m1/s 1; GVYWVRYDCMRUCE-SFYZADRCSA-N |
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c2occc2; COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O; COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[ CH]1C[CH](O)CN1C(=O)c2occc2 |
methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate |
| 26322 |  GQK |
18 | C31 H44 N4 O7 | InChI=1S/C31H44N4O7/c1-21 (32-27(36)20-35-14-16-42- 17-15-35)29(38)34-26(19-2 3-10-12-24(41-4)13-11-23) 30(39)33-25(28(37)31(2,3) 40)18-22-8-6-5-7-9-22/h5- 13,21,25-26,28,37,40H,14- 20H2,1-4H3,(H,32,36)(H,33 ,39)(H,34,38)/t21-,25-,26 -,28+/m0/s1; JDPKNDJAIBLVBS-BZACYDOXSA-N |
C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O) N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O )CN3CCOCC3; COc1ccc(C[C@H](NC(=O)[C@H](C )NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3) [C@@H](O)C(C)(C)O)cc1; CC(C(=O)NC(Cc1ccc (cc1)OC)C(=O)NC(Cc2ccccc2)C(C(C)(C)O)O)N C(=O)CN3CCOCC3; COc1ccc(C[CH](NC(=O)[CH] (C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3) [CH](O)C(C)(C)O)cc1 |
(2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide |
| 26323 |  GQL ZINC000100035995 |
3 | C21 H14 F2 N2 O2 | InChI=1S/C21H14F2N2O2/c1- 27-16-4-2-3-12(9-16)20(26 )18-11-25-21-19(18)17(5-6 -24-21)13-7-14(22)10-15(2 3)8-13/h2-11,26H,1H3/b20- 18-; HQMUBYFTZASKLP-ZZEZOPTASA-N |
COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(c c(c4)F)F)/O; COc1cccc(c1)C(=C2C=Nc3c2c(c cn3)c4cc(cc(c4)F)F)O; COc1cccc(c1)C(O)=C 2C=Nc3nccc(c4cc(F)cc(F)c4)c23; Fc4cc(c1c cnc2N=CC(\c12)=C(\O)c3cccc(OC)c3)cc(F)c4 ; COc1cccc(c1)/C(O)=C/2C=Nc3nccc(c4cc(F) cc(F)c4)c/23 |
(E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol |
| 26324 |  GQM CHEMBL6034912 ZINC000000187296 |
4 | C10 H10 N2 O2 | InChI=1S/C10H10N2O2/c1-14 -7-2-3-8(10(13)6-7)9-4-5- 11-12-9/h2-6,13H,1H3,(H,1 1,12); KCSNRNYLTIFFOZ-UHFFFAOYSA-N |
COc1ccc(c(O)c1)c2cc[nH]n2; COc1ccc(c(c1) O)c2cc[nH]n2 |
5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol |
| 26325 |  GQN CHEMBL3800394 ZINC000653841655 |
5 | C21 H18 N2 O4 | InChI=1S/C21H18N2O4/c1-27 -19-12-11-17(21(25)23-26) 13-18(19)22-20(24)16-9-7- 15(8-10-16)14-5-3-2-4-6-1 4/h2-13,26H,1H3,(H,22,24) (H,23,25); MRHRACKJKBOJEI-UHFFFAOYSA-N |
COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O )NO |
4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide |
| 26326 |  GQO |
1 | C19 H29 N5 O4 S | InChI=1S/C19H29N5O4S/c1-4 -15-17(18(20)23-19(21)22- 15)28-12-7-11-27-16-9-6-5 -8-14(16)10-13-29(25,26)2 4(2)3/h5-6,8-9H,4,7,10-13 H2,1-3H3,(H4,20,21,22,23); DTPFTDSQSPUKBC-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O) N(C)C; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC S(=O)(=O)N(C)C; CCc1nc(N)nc(N)c1OCCCOc2c cccc2CC[S](=O)(=O)N(C)C |
2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide |
| 26327 |  GQP CHEMBL1541796 ZINC000000210331 |
7 | C14 H11 F N2 | InChI=1S/C14H11FN2/c15-12 -7-5-11(6-8-12)9-17-10-16 -13-3-1-2-4-14(13)17/h1-8 ,10H,9H2; QLQZBMMYHJKDSH-UHFFFAOYSA-N |
Fc1ccc(Cn2cnc3ccccc23)cc1; c1ccc2c(c1)nc n2Cc3ccc(cc3)F |
1-[(4-fluorophenyl)methyl]benzimidazole |
| 26328 |  GQQ |
19 | C29 H44 N6 O5 S | InChI=1S/C29H44N6O5S/c1-1 9(2)14-24(34-28(37)25(15- 20(3)4)35-29(38)26-18-31- 11-12-32-26)27(36)33-23(1 0-13-41(5,39)40)16-21-6-8 -22(17-30)9-7-21/h6-9,11- 12,18-20,23-25H,10,13-17, 30H2,1-5H3,(H,33,36)(H,34 ,37)(H,35,38)/t23-,24+,25 +/m1/s1; COXIIRGPLZWLTL-DSITVLBTSA-N |
CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[ C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2 cnccn2; CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C CS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2 ; CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c 1cnccn1)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2cc c(CN)cc2; CC(C)C[CH](NC(=O)[CH](CC(C)C)N C(=O)c1cnccn1)C(=O)N[CH](CC[S](C)(=O)=O) Cc2ccc(CN)cc2 |
~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide |
| 26329 |  GQR ZINC000001484813 |
2 | C9 H11 N | InChI=1S/C9H11N/c10-9-6-5 -7-3-1-2-4-8(7)9/h1-4,9H, 5-6,10H2/t9-/m0/s1; XJEVHMGJSYVQBQ-VIFPVBQESA-N |
c1ccc2c(c1)CC[C@@H]2N; N[C@H]1CCc2ccccc1 2; N[CH]1CCc2ccccc12; c1ccc2c(c1)CCC2N |
(1~{S})-2,3-dihydro-1~{H}-inden-1-amine |
| 26330 |  GQS ZINC000000088862 |
1 | C9 H8 F N3 S | InChI=1S/C9H8FN3S/c1-6-12 -13-9(14-6)11-8-4-2-3-7(1 0)5-8/h2-5H,1H3,(H,11,13); YJCLSQDDYPKKDX-UHFFFAOYSA-N |
Cc1sc(Nc2cccc(F)c2)nn1; n2nc(Nc1cccc(c1) F)sc2C; Cc1nnc(s1)Nc2cccc(c2)F |
N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine |
| 26331 |  GQT |
18 | C30 H43 N7 O6 S | InChI=1S/C30H43N7O6S/c1-2 0(2)15-25(34-29(40)26(36- 37-32)17-21-7-5-4-6-8-21) 28(39)35-27(19-38)30(41)3 3-24(13-14-44(3,42)43)16- 22-9-11-23(18-31)12-10-22 /h4-12,20,24-27,38H,13-19 ,31H2,1-3H3,(H,33,41)(H,3 4,40)(H,35,39)/t24-,25+,2 6+,27+/m1/s1; NOFMETNXDOBCGZ-WKAQUBQDSA-N |
CC(C)CC(C(=O)NC(CO)C(=O)NC(CCS(=O)(=O)C) Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[ N-]; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[ N+]=[N-])C(=O)N[CH](CO)C(=O)N[CH](CC[S]( C)(=O)=O)Cc2ccc(CN)cc2; CC(C)C[C@H](NC(= O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@ H](CO)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc( CN)cc2; CC(C)C[C@@H](C(=O)N[C@@H](CO)C(= O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(= O)[C@H](Cc2ccccc2)N=[N+]=[N-] |
(2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
| 26332 |  GQU CHEMBL5267069 |
1 | C24 H29 F2 N3 O4 | InChI=1S/C24H29F2N3O4/c25 -17-8-14(9-18(26)11-17)4- 5-21(31)29-12-16-2-1-3-20 (16)22(29)24(33)28-19(13- 30)10-15-6-7-27-23(15)32/ h8-9,11,13,15-16,19-20,22 H,1-7,10,12H2,(H,27,32)(H ,28,33)/t15-,16-,19-,20-, 22-/m0/s1; ZUAZJPLYYVHKFN-NAFADOBPSA-N |
Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C (=O)N[CH](C[CH]4CCNC4=O)C=O)c1; Fc1cc(F) cc(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O )N[C@@H](C[C@@H]4CCNC4=O)C=O)c1; c1c(cc( cc1F)F)CCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCN C4=O)C=O; c1c(cc(cc1F)F)CCC(=O)N2C[C@@H] 3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CC NC4=O)C=O |
(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
| 26333 |  GQV CHEMBL52209 ZINC000005783629 |
1 | C6 H7 N O2 | InChI=1S/C6H7NO2/c1-7-4-2 -3-5(8)6(7)9/h2-4,8H,1H3; QUKDWRYJPHUXQR-UHFFFAOYSA-N |
CN1C=CC=C(O)C1=O; CN1C=CC=C(C1=O)O | 1-methyl-3-oxidanyl-pyridin-2-one |
| 26334 |  GQW CHEMBL4160522 |
4 | C16 H11 Cl N2 O3 S | InChI=1S/C16H11ClN2O3S/c1 7-12-5-4-10(15(20)19-22)8 -13(12)18-16(21)11-3-1-2- 9-6-7-23-14(9)11/h1-8,22H ,(H,18,21)(H,19,20); FRUVCGVXUWSDQY-UHFFFAOYSA-N |
c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO ; ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23) c1 |
~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide |
| 26335 |  GQX CHEMBL5192710 |
3 | C13 H15 N5 O S | InChI=1S/C13H15N5OS/c1-6- 10-7(3-2-4-9(10)19)11(16- 6)8-5-20-13(17-8)18-12(14 )15/h5,16H,2-4H2,1H3,(H4, 14,15,17,18); KCVACUMTAXEALK-UHFFFAOYSA-N |
Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3; Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O |
2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
| 26336 |  GQY ZINC000000393736 |
1 | C11 H16 N2 O2 | InChI=1S/C11H16N2O2/c1-14 -11-8-9(2-3-10(11)12)13-4 -6-15-7-5-13/h2-3,8H,4-7, 12H2,1H3; BQTMHUUWYHEPNQ-UHFFFAOYSA-N |
COc1cc(ccc1N)N2CCOCC2 | 2-methoxy-4-morpholin-4-yl-aniline |
| 26337 |  GQZ CHEMBL2381520 ZINC000095921741 |
4 | C14 H12 N2 O3 | InChI=1S/C14H12N2O3/c17-1 3(15-12-7-2-1-3-8-12)10-5 -4-6-11(9-10)14(18)16-19/ h1-9,19H,(H,15,17)(H,16,1 8); NXHPVXNYPQJIOB-UHFFFAOYSA-N |
ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2; c1ccc(c c1)NC(=O)c2cccc(c2)C(=O)NO |
~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide |
| 26338 |  GR0 |
0 | C20 H35 O4 P | InChI=1S/C20H35O4P/c1-17( 2)9-6-10-18(3)11-7-12-19( 4)13-8-14-20(5)15-16-24-2 5(21,22)23/h9,11,13,15H,6 -8,10,12,14,16H2,1-5H3,(H 2,21,22,23)/b18-11+,19-13 ?,20-15?; VHUBNUSXPIJYSG-OZOSFKGRSA-N |
CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C )C; CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O )C)C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C) =CCO[P](O)(O)=O; CC(C)=CCCC(/C)=C/CC\C(C )=C/CCC(/C)=C/CO[P](O)(O)=O |
GERANYLGERANYL MONOPHOSPHATE; (10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl dihydrogen phosphate |
| 26339 |  GR1 ZINC000031976941 |
1 | C27 H35 N3 O4 | InChI=1S/C27H35N3O4/c1-3- 30(4-2)26(32)19-9-7-8-17( 14-19)18-12-13-21-20(15-1 8)16-23(31)25(21)22(27(33 )34)10-5-6-11-24(28)29/h7 -9,12-15,22-23,25,31H,3-6 ,10-11,16H2,1-2H3,(H3,28, 29)(H,33,34)/t22-,23+,25- /m1/s1; VACZRUKFUJTPNR-GIFXNVAJSA-N |
CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H] ([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O; CCN(C C)C(=O)c1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC (=N)N)C(=O)O)O; CCN(CC)C(=O)c1cccc(c1)c2 ccc3[CH]([CH](O)Cc3c2)[CH](CCCCC(N)=N)C( O)=O; CCN(CC)C(=O)c1cccc(c1)c2ccc3[C@@H] ([C@@H](O)Cc3c2)[C@@H](CCCCC(N)=N)C(O)=O ; O=C(N(CC)CC)c3cc(c1cc2c(cc1)C(C(C(=O)O )CCCCC(=[N@H])N)C(O)C2)ccc3 |
6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID; GR179849 |
| 26340 |  GR2 CHEMBL2270922 ZINC000034499772 |
5 | C17 H14 O5 | InChI=1S/C17H14O5/c1-9-6- 14(21-16(9)18)20-8-13-12- 7-10-4-2-3-5-11(10)15(12) 22-17(13)19/h2-6,8,12,14- 15H,7H2,1H3/b13-8+/t12-,1 4-,15-/m1/s1; XHSDUVBUZOUAOQ-WJQMYRPNSA-N |
CC1=C[CH](OC=C2[CH]3Cc4ccccc4[CH]3OC2=O) OC1=O; CC1=C[C@H](O\C=C2/[C@H]3Cc4ccccc4 [C@H]3OC2=O)OC1=O; CC1=CC(OC1=O)OC=C2C3C c4ccccc4C3OC2=O; CC1=C[C@@H](OC1=O)O/C=C /2\[C@H]3Cc4ccccc4[C@H]3OC2=O; c12CC3C(c 1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4 |
(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one |
| 26341 |  GR3 ZINC000037858498 |
2 | C32 H46 O7 | InChI=1S/C32H46O7/c1-18(2 )14-21(35)15-20(17-33)27- 24(36)16-31(6)23-8-9-25-2 9(4,22(23)10-13-30(27,31) 5)12-11-26(39-19(3)34)32( 25,7)28(37)38/h8,14,17,20 ,22,24-27,36H,9-13,15-16H 2,1-7H3,(H,37,38)/t20-,22 -,24-,25+,26+,27+,29+,30- ,31+,32-/m0/s1; MKGUGMKLWZNKQT-DWJUSYOASA-N |
CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@] 2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@ H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C; CC (C)=CC(=O)C[CH](C=O)[CH]1[CH](O)C[C]2(C) C3=CC[CH]4[C](C)(CC[CH](OC(C)=O)[C]4(C)C (O)=O)[CH]3CC[C]12C; O=C(\C=C(/C)C)CC(C= O)C4C3(CCC1C(=CCC2C1(C)CCC(OC(=O)C)C2(C( =O)O)C)C3(C)CC4O)C; CC(=CC(=O)CC(C=O)C1C (CC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C(=O)O)OC (=O)C)C)C)C)O)C; CC(C)=CC(=O)C[C@@H](C=O )[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@@H]4[C @](C)(CC[C@@H](OC(C)=O)[C@@]4(C)C(O)=O)[ C@H]3CC[C@@]12C |
3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID |
| 26342 |  GR4 ZINC000098208966 |
1 | C38 H56 O14 | InChI=1S/C38H56O14/c1-18( 2)11-21(43)12-20(15-39)29 -24(44)14-38(17-41)22-7-8 -26-35(4,23(22)13-27(45)3 7(29,38)6)10-9-28(50-19(3 )42)36(26,5)34(49)52-33-3 2(48)31(47)30(46)25(16-40 )51-33/h7,11,15,20,23-33, 40-41,44-48H,8-10,12-14,1 6-17H2,1-6H3/t20-,23-,24- ,25-,26+,27-,28+,29+,30-, 31+,32-,33+,35+,36-,37-,3 8-/m0/s1; ICEIDITWEARXBX-KIWBXHNRSA-N |
CC(C)=CC(=O)C[C@@H](C=O)[C@@H]1[C@@H](O) C[C@]2(CO)C3=CC[C@@H]4[C@](C)(CC[C@@H](O C(C)=O)[C@@]4(C)C(=O)O[C@H]5O[C@@H](CO)[ C@H](O)[C@@H](O)[C@@H]5O)[C@H]3C[C@H](O) [C@@]12C; CC(=CC(=O)C[C@@H](C=O)[C@@H]1[ C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@ H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5 [C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC (=O)C)C)O)C)CO)O)C; O=C(OC1OC(C(O)C(O)C1 O)CO)C5(C)C4CC=C2C(CC(O)C3(C)C(C(C=O)CC( =O)\C=C(/C)C)C(O)CC23CO)C4(C)CCC5OC(=O)C ; CC(=CC(=O)CC(C=O)C1C(CC2(C1(C(CC3C2=CC C4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O) O)OC(=O)C)C)O)C)CO)O)C; CC(C)=CC(=O)C[CH ](C=O)[CH]1[CH](O)C[C]2(CO)C3=CC[CH]4[C] (C)(CC[CH](OC(C)=O)[C]4(C)C(=O)O[CH]5O[C H](CO)[CH](O)[CH](O)[CH]5O)[CH]3C[CH](O) [C]12C |
R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER |
| 26343 |  GR5 |
2 | C34 H42 F2 N4 O7 S2 | InChI=1S/C34H42F2N4O7S2/c 1-18(2)15-40(49(43,44)24- 5-6-26-30(14-24)48-33(38- 26)37-23-3-4-23)16-28(41) 27(11-19-9-21(35)13-22(36 )10-19)39-34(42)47-29-12- 20-17-46-32-31(20)25(29)7 -8-45-32/h5-6,9-10,13-14, 18,20,23,25,27-29,31-32,4 1H,3-4,7-8,11-12,15-17H2, 1-2H3,(H,37,38)(H,39,42)/ t20-,25-,27-,28+,29-,31+, 32+/m0/s1; NIZKZMLJMFCQSW-BIVIGLCRSA-N |
CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC( =O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CC O4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7; C C(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3 COC4C3C2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6 )NC7CC7; CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F )cc(F)c1)NC(=O)O[C@H]2C[C@H]3CO[C@H]4OCC [C@@H]2[C@@H]34)[S](=O)(=O)c5ccc6nc(NC7C C7)sc6c5; s1c(nc6c1cc(S(=O)(N(CC(O)C(NC( OC2CC4C3C2CCOC3OC4)=O)Cc5cc(cc(c5)F)F)CC (C)C)=O)cc6)NC7CC7; CC(C)CN(C[CH](O)[CH] (Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3CO[CH ]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc(NC7 CC7)sc6c5 |
|
| 26344 |  GR6 CHEMBL578406 ZINC000049722570 |
2 | C32 H42 N2 O9 S | InChI=1S/C32H42N2O9S/c1-3 9-24-13-14-30-28(20-24)40 -17-10-5-3-2-4-9-16-34(44 (30,37)38)21-27(35)26(19- 23-11-7-6-8-12-23)33-32(3 6)43-29-22-42-31-25(29)15 -18-41-31/h3,5-8,11-14,20 ,25-27,29,31,35H,2,4,9-10 ,15-19,21-22H2,1H3,(H,33, 36)/b5-3+/t25-,26-,27+,29 -,31+/m0/s1; ZQJBDIZBNGQJDT-JZAADHNPSA-N |
COc1ccc2c(OCC\C=C\CCCCN(C[C@@H](O)[C@H]( Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5OCC[C@@H] 45)[S]2(=O)=O)c1; COc1ccc2c(OCCC=CCCCCN( C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH ]5OCC[CH]45)[S]2(=O)=O)c1; O=C(OC1C2CCOC 2OC1)NC(Cc3ccccc3)C(O)CN5CCCCC=CCCOc4cc( OC)ccc4S5(=O)=O; COc1ccc2c(c1)OCC\C=C\CC CCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(= O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O; COc1ccc2 c(c1)OCCC=CCCCCN(S2(=O)=O)CC(C(Cc3ccccc3 )NC(=O)OC4COC5C4CCO5)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate |
| 26345 |  GR7 CHEMBL4095133 |
2 | C32 H42 N2 O9 S | InChI=1S/C32H42N2O9S/c1-3 9-25-12-13-30-24(19-25)21 -40-16-9-4-2-3-8-15-34(44 (30,37)38)20-28(35)27(18- 23-10-6-5-7-11-23)33-32(3 6)43-29-22-42-31-26(29)14 -17-41-31/h4-7,9-13,19,26 -29,31,35H,2-3,8,14-18,20 -22H2,1H3,(H,33,36)/b9-4+ /t26-,27-,28+,29-,31+/m0/ s1; QVQZOHIOYHJWJV-RSNMJCISSA-N |
COc1ccc2c(COCC=CCCCCN(C[CH](O)[CH](Cc3cc ccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45)[S]2(= O)=O)c1; COc1ccc2c(COC\C=C\CCCCN(C[C@@H] (O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5 OCC[C@@H]45)[S]2(=O)=O)c1; c2(cc1COCC=CC CCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCC C34)=O)Cc5ccccc5)OC; COc1ccc2c(c1)COCC=C CCCCN(S2(=O)=O)CC(C(Cc3ccccc3)NC(=O)OC4C OC5C4CCO5)O; COc1ccc2c(c1)COC/C=C/CCCCN( S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[ C@H]4CO[C@@H]5[C@H]4CCO5)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate |
| 26346 |  GR8 CHEMBL4214453 |
2 | C34 H42 F2 N4 O7 S2 | InChI=1S/C34H42F2N4O7S2/c 1-18(2)15-40(49(43,44)24- 5-6-26-30(14-24)48-33(38- 26)37-23-3-4-23)16-28(41) 27(11-19-9-21(35)13-22(36 )10-19)39-34(42)47-29-12- 20-17-46-32-31(20)25(29)7 -8-45-32/h5-6,9-10,13-14, 18,20,23,25,27-29,31-32,4 1H,3-4,7-8,11-12,15-17H2, 1-2H3,(H,37,38)(H,39,42)/ t20-,25-,27+,28-,29-,31+, 32+/m1/s1; NIZKZMLJMFCQSW-FQOBIZQLSA-N |
s1c3c(nc1NC2CC2)ccc(c3)S(=O)(=O)N(CC(C(C c4cc(F)cc(c4)F)NC(=O)OC5CC7C6C5CCOC6OC7) O)CC(C)C; CC(C)CN(C[C@H]([C@H](Cc1cc(cc( c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@ @H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc (n6)NC7CC7; CC(C)CN(CC(C(Cc1cc(cc(c1)F)F )NC(=O)OC2CC3COC4C3C2CCO4)O)S(=O)(=O)c5c cc6c(c5)sc(n6)NC7CC7; CC(C)CN(C[C@@H](O) [C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@@H]2C[C@ @H]3CO[C@@H]4OCC[C@H]2[C@H]34)[S](=O)(=O )c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(C[CH](O) [CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3C O[CH]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc (NC7CC7)sc6c5 |
|
| 26347 |  GR9 CHEMBL2177161 ZINC000034299752 |
2 | C21 H23 N7 O3 S | InChI=1S/C21H23N7O3S/c1-2 7-9-11-28(12-10-27)32(30, 31)17-6-4-15(5-7-17)18-14 -24-20(22)19(26-18)21(29) 25-16-3-2-8-23-13-16/h2-8 ,13-14H,9-12H2,1H3,(H2,22 ,24)(H,25,29); FHCSBLWRGCOVPT-UHFFFAOYSA-N |
CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N) c(n3)C(=O)Nc4cccnc4; CN1CCN(CC1)S(=O)(=O )c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N; O=S(=O)(c3ccc(c2nc(C(=O)Nc1cccnc1)c(nc2) N)cc3)N4CCN(C)CC4 |
3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE |
| 26348 |  GRA ZINC000008551192 |
18 | C26 H42 N7 O19 P3 S | InChI=1S/C26H42N7O19P3S/c 1-26(2,21(39)24(40)29-7-6 -15(34)28-8-9-56-17(37)5- 3-4-16(35)36)11-49-55(46, 47)52-54(44,45)48-10-14-2 0(51-53(41,42)43)19(38)25 (50-14)33-13-32-18-22(27) 30-12-31-23(18)33/h12-14, 19-21,25,38-39H,3-11H2,1- 2H3,(H,28,34)(H,29,40)(H, 35,36)(H,44,45)(H,46,47)( H2,27,30,31)(H2,41,42,43) /t14-,19-,20-,21+,25-/m1/ s1; SYKWLIJQEHRDNH-CKRMAKSASA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O )NCCSC(=O)CCCC(=O)O)O; O=C(O)CCCC(=O)SCC NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O) (O)O; CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[ C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc 3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC (=O)CCCC(=O)O)O; CC(C)(CO[P](O)(=O)O[P]( O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O )=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O )NCCSC(=O)CCCC(O)=O; CC(C)(CO[P@@](O)(=O )O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@ @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H] (O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O |
glutaryl-coenzyme A |
| 26349 |  GRB ZINC000013543247 |
0 | C10 H13 Br N5 O8 P | InChI=1S/C10H13BrN5O8P/c1 1-9-13-3-6(14-10(12)15-7( 3)19)16(9)8-5(18)4(17)2(2 4-8)1-23-25(20,21)22/h2,4 -5,8,17-18H,1H2,(H2,20,21 ,22)(H3,12,14,15,19)/t2-, 4-,5-,8-/m1/s1; SJLDUTNIPDQOCZ-UMMCILCDSA-N |
C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O )O)OP(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@ H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(= O)(O)O; NC1=Nc2n([CH]3O[CH](CO[P](O)(O)= O)[CH](O)[CH]3O)c(Br)nc2C(=O)N1; NC1=Nc2 n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[ C@H]3O)c(Br)nc2C(=O)N1; O=P(O)(O)OCC3OC( n2c(Br)nc1c2N=C(N)NC1=O)C(O)C3O |
8-bromoguanosine 5'-(dihydrogen phosphate) |
| 26350 |  GRC ZINC000098208967 |
1 | C11 H17 Cl N5 O12 P3 | InChI=1S/C11H17ClN5O12P3/ c12-10(30(20,21)22)31(23, 24)29-32(25,26)27-2-5-4(1 8)1-6(28-5)17-3-14-7-8(17 )15-11(13)16-9(7)19/h3-6, 10,18H,1-2H2,(H,23,24)(H, 25,26)(H2,20,21,22)(H3,13 ,15,16,19)/t4-,5+,6+,10+/ m0/s1; GBPRSSRXOIDBNV-AVAJSQPUSA-N |
O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2 cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1C3CC(C( O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[ CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](C l)[P](O)(O)=O)O3; NC1=Nc2n(cnc2C(=O)N1)[ C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O) (=O)[C@H](Cl)[P](O)(O)=O)O3; c1nc2c(n1[C @H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C @@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N |
5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine |
| 26351 |  GRD ZINC000038970689 |
1 | C27 H38 N8 O5 | InChI=1S/C27H38N8O5/c1-4- 19(22(36)26(38)29-11-8-12 -35-16-32-21-23(28)30-15- 31-24(21)35)33-25(37)20(1 3-17(2)3)34-27(39)40-14-1 8-9-6-5-7-10-18/h5-7,9-10 ,15-17,19-20,22,36H,4,8,1 1-14H2,1-3H3,(H,29,38)(H, 33,37)(H,34,39)(H2,28,30, 31)/t19-,20-,22-/m0/s1; JADHYPXMRTWESB-ONTIZHBOSA-N |
CC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc 1)[CH](O)C(=O)NCCCn2cnc3c(N)ncnc23; CC[C @H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1) [C@H](O)C(=O)NCCCn2cnc3c(N)ncnc23; CCC(C (C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)C(CC(C) C)NC(=O)OCc3ccccc3; O=C(OCc1ccccc1)NC(C( =O)NC(CC)C(O)C(=O)NCCCn2c3ncnc(c3nc2)N)C C(C)C; CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1 ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3cc ccc3 |
benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate |
| 26352 |  GRE CHEMBL454808 ZINC000000388545 |
7 | C7 H6 O4 | InChI=1S/C7H6O4/c8-4-2-1- 3-5(9)6(4)7(10)11/h1-3,8- 9H,(H,10,11); AKEUNCKRJATALU-UHFFFAOYSA-N |
O=C(O)c1c(O)cccc1O; c1cc(c(c(c1)O)C(=O)O )O; OC(=O)c1c(O)cccc1O |
2,6-DIHYDROXYBENZOIC ACID |
| 26353 |  GRF |
1 | C5 H12 N O7 P | InChI=1S/C5H12NO7P/c6-5-4 (8)3(7)2(13-5)1-12-14(9,1 0)11/h2-5,7-8H,1,6H2,(H2, 9,10,11)/t2-,3-,4-,5-/m1/ s1; SKCBPEVYGOQGJN-TXICZTDVSA-N |
N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(O1)N)O)O)OP(=O)(O)O; C([C@@H] 1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O; N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[ C@H]1O; O=P(O)(O)OCC1OC(N)C(O)C1O |
5-O-phosphono-beta-D-ribofuranosylamine; 5-O-phosphono-beta-D-ribosylamine; 5-O-phosphono-D-ribosylamine; 5-O-phosphono-ribosylamine |
| 26354 |  GRG CHEMBL1229266 ZINC000012495043 |
76 | C20 H36 O7 P2 | InChI=1S/C20H36O7P2/c1-17 (2)9-6-10-18(3)11-7-12-19 (4)13-8-14-20(5)15-16-26- 29(24,25)27-28(21,22)23/h 9,11,13,15H,6-8,10,12,14, 16H2,1-5H3,(H,24,25)(H2,2 1,22,23)/b18-11+,19-13+,2 0-15+; OINNEUNVOZHBOX-QIRCYJPOSA-N |
CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO[ P](O)(=O)O[P](O)(O)=O; CC(C)=CCCC(C)=CCC C(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)( O)O)C)C)C)C; CC(=CCC/C(=C/CC/C(=C/CC/C(= C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C; O= P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C (/C)CC\C=C(/C)C)C |
GERANYLGERANYL DIPHOSPHATE |
| 26355 |  GRH |
1 | C21 H19 Cl N2 O4 S | InChI=1S/C21H19ClN2O4S/c1 -14(15-6-3-2-4-7-15)21(25 )24-17-10-11-19(20(13-17) 29(23,26)27)28-18-9-5-8-1 6(22)12-18/h2-14H,1H3,(H, 24,25)(H2,23,26,27)/t14-/ m1/s1; QEACKKQHBTVOBS-CQSZACIVSA-N |
C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(= O)N)Oc3cccc(c3)Cl; C[CH](C(=O)Nc1ccc(Oc2 cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3; C C(c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)O c3cccc(c3)Cl; C[C@@H](C(=O)Nc1ccc(Oc2ccc c(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3 |
(2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide |
| 26356 |  GRI ZINC000095921318 |
2 | C15 H10 N2 O4 | InChI=1S/C15H10N2O4/c1-21 -11-6-5-8(7-18)12-14(11)1 7-13-9(15(19)20)3-2-4-10( 13)16-12/h2-7H,1H3,(H,19, 20); NJJLLHHIAVHAEL-UHFFFAOYSA-N |
COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O; O=C (O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O; COc1cc c(C=O)c2nc3cccc(C(O)=O)c3nc12 |
6-formyl-9-methoxyphenazine-1-carboxylic acid |
| 26357 |  GRJ |
2 | C16 H25 N5 O15 P2 | InChI=1S/C16H25N5O15P2/c1 -4(22)11-8(24)10(26)15(34 -11)35-38(30,31)36-37(28, 29)32-2-5-7(23)9(25)14(33 -5)21-3-18-6-12(21)19-16( 17)20-13(6)27/h3-5,7-11,1 4-15,22-26H,2H2,1H3,(H,28 ,29)(H,30,31)(H3,17,19,20 ,27)/t4-,5+,7+,8-,9+,10-, 11+,14+,15-/m0/s1; MBFMULBITZROEC-MREAOPIZSA-N |
C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](O1)OP (=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@ @H](O2)n3cnc4c3nc(nc4O)N)O)O)O)O)O; C[C@ H](O)[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)n3cnc4c (O)nc(N)nc34)[C@@H](O)[C@@H]1O; CC(C1C(C (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c nc4c3nc(nc4O)N)O)O)O)O)O; C[CH](O)[CH]1O [CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]( [CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O )[CH]1O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate |
| 26358 |  GRK CHEMBL3799265 ZINC000653851521 |
4 | C16 H16 N2 O4 | InChI=1S/C16H16N2O4/c1-22 -14-8-7-12(16(20)18-21)10 -13(14)17-15(19)9-11-5-3- 2-4-6-11/h2-8,10,21H,9H2, 1H3,(H,17,19)(H,18,20); DFZIVCDTMKHRDI-UHFFFAOYSA-N |
COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide |
| 26359 |  GRL CHEMBL254349 ZINC000014954111 |
4 | C29 H40 N2 O7 S | InChI=1S/C29H40N2O7S/c1-2 0(2)17-31(39(35,36)25-10- 8-22(19-32)9-11-25)18-27( 33)26(14-21-6-4-3-5-7-21) 30-29(34)38-24-15-23-12-1 3-37-28(23)16-24/h3-11,20 ,23-24,26-28,32-33H,12-19 H2,1-2H3,(H,30,34)/t23-,2 4+,26-,27+,28+/m0/s1; VYBDPVQMILRSMK-GRXYLYAXSA-N |
CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO) cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H]( Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1 ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc( cc4)CO |
(3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE |
| 26360 |  GRM CHEMBL1173044 ZINC000053243440 |
4 | C26 H28 N2 O3 | InChI=1S/C26H28N2O3/c1-18 (22-8-4-6-20-5-2-3-7-23(2 0)22)28-13-11-21(12-14-28 )26(29)27-16-19-9-10-24-2 5(15-19)31-17-30-24/h2-10 ,15,18,21H,11-14,16-17H2, 1H3,(H,27,29)/t18-/m1/s1; IVXBCFLWMPMSAP-GOSISDBHSA-N |
C[CH](N1CC[CH](CC1)C(=O)NCc2ccc3OCOc3c2) c4cccc5ccccc45; C[C@H](c1cccc2c1cccc2)N3 CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5; CC(c1ccc c2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OC O5; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2ccc3 OCOc3c2)c4cccc5ccccc45; O=C(NCc1ccc2OCOc 2c1)C5CCN(C(c4c3ccccc3ccc4)C)CC5 |
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
| 26361 |  GRN ZINC000008462000 |
0 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-9(10 ,8(11)12)7-5-3-2-4-6-7/h2 -6H,10H2,1H3,(H,11,12)/t9 -/m1/s1; HTCSFFGLRQDZDE-SECBINFHSA-N |
C[C@](N)(C(O)=O)c1ccccc1; CC(c1ccccc1)(C (=O)O)N; O=C(O)C(N)(c1ccccc1)C; C[C@@](c 1ccccc1)(C(=O)O)N; C[C](N)(C(O)=O)c1cccc c1 |
2-phenyl-L-alanine |
| 26362 |  GRO ZINC000000391878 |
5 | C9 H10 O2 | InChI=1S/C9H10O2/c1-7(9(1 0)11)8-5-3-2-4-6-8/h2-7H, 1H3,(H,10,11)/t7-/m1/s1; YPGCWEMNNLXISK-SSDOTTSWSA-N |
CC(c1ccccc1)C(=O)O; C[C@H](c1ccccc1)C(=O )O; C[C@@H](C(O)=O)c1ccccc1; O=C(O)C(c1c cccc1)C; C[CH](C(O)=O)c1ccccc1 |
R-2-PHENYL-PROPRIONIC ACID |
| 26363 |  GRP |
0 | C24 H34 N7 O18 P3 | InChI=1S/C24H34N7O18P3/c1 -9-17(33)12(11(4-26-9)6-4 4-50(37,38)39)5-27-13-3-1 4(32)23(46-10(13)2)48-52( 42,43)49-51(40,41)45-7-15 -18(34)19(35)22(47-15)31- 8-28-16-20(31)29-24(25)30 -21(16)36/h4-5,8,10,13-15 ,18-19,22-23,32-35H,3,6-7 H2,1-2H3,(H,40,41)(H,42,4 3)(H2,37,38,39)(H3,25,29, 30,36)/b27-5-/t10-,13+,14 +,15-,18-,19-,22-,23-/m1/ s1; NJFQSOKHMSGVAE-UQPWFEBUSA-N |
C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34 )N)[CH](O)C[CH]1N=Cc5c(O)c(C)ncc5CO[P](O )(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C @H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O) O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H] (O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; C[C@H]1 O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C @H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34 )N)[C@@H](O)C[C@@H]1N=Cc5c(O)c(C)ncc5CO[ P](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=N C2CC(C(OC2C)OP(=O)(O)OP(=O)(O)OCC3C(C(C( O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; O=C5NC(= Nc1c5ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4 OC(C(/N=C\c3c(cnc(c3O)C)COP(=O)(O)O)CC4O )C)O)O)N |
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5S,6R)-3-hydroxy-5-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate |
| 26364 |  GRQ CHEMBL1080997 ZINC000001529208 |
6 | C10 H16 O | InChI=1S/C10H16O/c1-9(2)5 -4-6-10(3)7-8-11/h5,7-8H, 4,6H2,1-3H3/b10-7+; WTEVQBCEXWBHNA-JXMROGBWSA-N |
CC(C)=CCC/C(C)=C/C=O; CC(=CCC/C(=C/C=O)/ C)C; CC(C)=CCCC(C)=CC=O; CC(=CCCC(=CC=O) C)C |
Geranaldehyde |
| 26365 |  GRR CHEMBL191060 DB07842 ZINC000013671697 |
1 | C17 H18 O3 | InChI=1S/C17H18O3/c1-2-13 -8-10-15(11-9-13)20-16(17 (18)19)12-14-6-4-3-5-7-14 /h3-11,16H,2,12H2,1H3,(H, 18,19)/t16-/m0/s1; CJMVTSLLWMPEKQ-INIZCTEOSA-N |
CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O; O= C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2; CCc1ccc(O [CH](Cc2ccccc2)C(O)=O)cc1; CCc1ccc(cc1)O C(Cc2ccccc2)C(=O)O; CCc1ccc(O[C@@H](Cc2c cccc2)C(O)=O)cc1 |
(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid |
| 26366 |  GRT |
19 | C29 H41 N7 O5 S | InChI=1S/C29H41N7O5S/c1-2 0(2)15-25(34-29(39)26(35- 36-31)17-21-7-5-4-6-8-21) 28(38)32-19-27(37)33-24(1 3-14-42(3,40)41)16-22-9-1 1-23(18-30)12-10-22/h4-12 ,20,24-26H,13-19,30H2,1-3 H3,(H,32,38)(H,33,37)(H,3 4,39)/t24-,25+,26+/m1/s1; POJZTOVJTGGZDY-ZNZIZOMTSA-N |
CC(C)CC(C(=O)NCC(=O)NC(CCS(=O)(=O)C)Cc1c cc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-]; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]= [N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc 2ccc(CN)cc2; CC(C)C[C@@H](C(=O)NCC(=O)N[ C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C @H](Cc2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](N C(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NC C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)cc2 |
(2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
| 26367 |  GRV CHEMBL1381910 ZINC000000217162 |
2 | C13 H17 N3 O | InChI=1S/C13H17N3O/c1-9(2 )8-14-13(17)12-10(3)15-11 -6-4-5-7-16(11)12/h4-7,9H ,8H2,1-3H3,(H,14,17); QQNPIZGIGPGFPW-UHFFFAOYSA-N |
CC(C)CNC(=O)c1n2ccccc2nc1C; Cc1c(n2ccccc 2n1)C(=O)NCC(C)C |
2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide |
| 26368 |  GRW |
16 | C31 H45 N7 O6 S | InChI=1S/C31H45N7O6S/c1-2 0(2)16-26(35-30(41)27(37- 38-33)18-22-8-6-5-7-9-22) 29(40)36-28(21(3)39)31(42 )34-25(14-15-45(4,43)44)1 7-23-10-12-24(19-32)13-11 -23/h5-13,20-21,25-28,39H ,14-19,32H2,1-4H3,(H,34,4 2)(H,35,41)(H,36,40)/t21- ,25-,26+,27-,28+/m1/s1; XLNBYEKPCUBUPH-GSQIWVKLSA-N |
C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)C c1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C @@H](Cc2ccccc2)N=[N+]=[N-])O; CC(C)C[C@H ](NC(=O)[C@@H](Cc1ccccc1)N=[N+]=[N-])C(= O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC[S](C )(=O)=O)Cc2ccc(CN)cc2; CC(C)C[CH](NC(=O) [CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH]([C H](C)O)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc( CN)cc2; CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC S(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2cccc c2)N=[N+]=[N-] |
(2~{S})-~{N}-[(2~{S},3~{R})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2-[[(2~{R})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide |
| 26369 |  GRX ZINC000098208969 |
2 | C7 H14 F O8 P | InChI=1S/C7H14FO8P/c8-7(1 7(13,14)15)6-5(12)4(11)3( 10)2(1-9)16-6/h2-7,9-12H, 1H2,(H2,13,14,15)/t2-,3-, 4+,5-,6-,7+/m1/s1; BUPRWODHUABASJ-GEGSFZHJSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C @@H](F)P(=O)(O)O)O)O)O)O; OC[C@H]1O[C@H] ([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P]( O)(O)=O; C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O) O)O)O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O )[CH](F)[P](O)(O)=O; O=P(O)(O)C(F)C1OC(C (O)C(O)C1O)CO |
(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol; (S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose |
| 26370 |  GRY ZINC000000154213 |
3 | C12 H14 N4 | InChI=1S/C12H14N4/c1-8-7- 9(2)15-12(14-8)16-11-5-3- 10(13)4-6-11/h3-7H,13H2,1 -2H3,(H,14,15,16); SFVBOQCTJBQABR-UHFFFAOYSA-N |
Cc1cc(nc(n1)Nc2ccc(cc2)N)C; Cc1cc(C)nc(N c2ccc(N)cc2)n1 |
~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine |
| 26371 |  GRZ CHEMBL4176696 |
6 | C15 H10 Cl F N4 O3 | InChI=1S/C15H10ClFN4O3/c1 6-9-1-6-14(24-11-4-2-10(1 7)3-5-11)13(7-9)21-8-12(1 8-20-21)15(22)19-23/h1-8, 23H,(H,19,22); NXLUFTCWMNFMML-UHFFFAOYSA-N |
c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F ; ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)c c3 |
1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide |
| 26372 |  GS CHEMBL1233119 |
1 | C10 H14 N5 O6 P S | InChI=1S/C10H14N5O6PS/c11 -10-13-8-7(9(17)14-10)12- 3-15(8)6-1-4(16)5(21-6)2- 20-22(18,19)23/h3-6,16H,1 -2H2,(H2,18,19,23)(H3,11, 13,14,17)/t4-,5+,6+/m0/s1; PSIUGNOLTIFXCJ-KVQBGUIXSA-N |
O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O ; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH] (CO[P](O)(S)=O)O3; c1nc2c(n1C3CC(C(O3)CO P(=O)(O)S)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3 C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC 2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H] (O)[C@@H](CO[P@](O)(S)=O)O3 |
GUANOSINE-5'-THIO-MONOPHOSPHATE |
| 26373 |  GS0 |
12 | C55 H74 Mg N4 O6 | InChI=1S/C55H75N4O6.Mg/c1 -13-39-34(7)41-29-46-48(3 8(11)60)36(9)43(57-46)27- 42-35(8)40(52(58-42)50-51 (55(63)64-12)54(62)49-37( 10)44(59-53(49)50)28-45(3 9)56-41)23-24-47(61)65-26 -25-33(6)22-16-21-32(5)20 -15-19-31(4)18-14-17-30(2 )3;/h25,27-32,34-35,39-40 ,51H,13-24,26H2,1-12H3,(H -,56,57,58,59,60,62);/q-1 ;+2/p-1/b33-25+;/t31-,32- ,34?,35?,39?,40?,51+;/m1. /s1; DSJXIQQMORJERS-NDWDOOJPSA-M |
CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2= C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC) C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C( \C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C (=O)C)C; CC[C@@H]1[C@H](C)C2=Cc3n4[Mg][N @]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C( =C56)C7=NC(=Cc4c(C)c3C(C)=O)[C@@H](C)[C@ @H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H] (C)CCCC(C)C)C; CCC1C(C2=Cc3c(c(c4n3[Mg]5 6[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC )C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C) CCCC(C)CCCC(C)C)C)C)C(=O)C)C; CC[CH]1[CH ](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O) [CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C) =O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C) CCC[CH](C)CCCC(C)C)C |
Bacteriochlorophyll A isomer |
| 26374 |  GS1 CHEMBL132376 DB03859 ZINC000003815614 |
15 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-1-2- 3(8)4(9)5(10)6(12)11-2/h2 -10,12H,1H2/t2-,3-,4+,5-, 6+/m1/s1; JUSMHIGDXPKSID-DVKNGEFBSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S) O)O)O)O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C (C(O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](O)[ CH](O)[CH]1O; OC[C@H]1O[C@@H](S)[C@H](O) [C@@H](O)[C@@H]1O |
1-thio-beta-D-glucopyranose; 1-thio-beta-D-glucose; 1-thio-D-glucose; 1-thio-glucose |
| 26375 |  GS2 |
1 | C27 H27 F N8 O3 | InChI=1S/C27H27FN8O3/c1-2 9-26(38)23-17(28)6-5-7-18 (23)31-25-16-8-10-30-24(1 6)33-27(34-25)32-19-13-20 -15(12-21(19)39-4)9-11-36 (20)22(37)14-35(2)3/h5-13 H,14H2,1-4H3,(H,29,38)(H3 ,30,31,32,33,34); DESOLSKAHZZIGK-UHFFFAOYSA-N |
CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4n(ccc4cc3O C)C(=O)CN(C)C)nc5[nH]ccc25; CNC(=O)c1c(c ccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(= O)CN(C)C)cc4OC; O=C(n2c1cc(c(OC)cc1cc2)N c3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN( C)C |
2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide |
| 26376 |  GS3 CHEMBL507625 ZINC000053186795 |
1 | C27 H31 F N8 O2 | InChI=1S/C27H31FN8O2/c1-1 6(2)35-11-13-36(14-12-35) 17-7-8-20(22(15-17)38-3)3 2-27-33-25-18(9-10-30-25) 26(34-27)31-21-6-4-5-19(2 8)23(21)24(29)37/h4-10,15 -16H,11-14H2,1-3H3,(H2,29 ,37)(H3,30,31,32,33,34); HXZDICYKFAOZLE-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3[nH]ccc3c(Nc4cccc(F)c4C (N)=O)n2)N5CCN(CC5)C(C)C; CC(C)N1CCN(CC1 )c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5c ccc(c5C(=O)N)F; Fc1cccc(c1C(=O)N)Nc3nc(n c2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC |
2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide |
| 26377 |  GS4 DB03584 |
0 | C6 H12 O5 S | InChI=1/C6H12O5S/c7-1-2-5 (12)3(8)4(9)6(10)11-2/h2- 10,12H,1H2/t2-,3-,4-,5-,6 -/m1/s1; KGSURTOFVLAWDC-QZABAPFNBN |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O) O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1 C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH ](O)[CH](O)[CH]1S |
4-THIO-BETA-D-GLUCOPYRANOSE |
| 26378 |  GS5 CHEMBL220529 DB07843 ZINC000014950088 |
1 | C19 H22 Cl N3 O5 S2 | InChI=1S/C19H22ClN3O5S2/c 1-12(18(24)22-6-8-28-9-7- 22)23-5-4-15(19(23)25)21- 30(26,27)17-11-13-10-14(2 0)2-3-16(13)29-17/h2-3,10 -12,15,21H,4-9H2,1H3/t12- ,15-/m0/s1; LTJNKFUIOOJXNJ-WFASDCNBSA-N |
C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc3ccc(Cl )cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1) C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)C C4)C; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O) (=O)c3cc4cc(ccc4s3)Cl; C[C@@H](C(=O)N1CC OCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(c cc4s3)Cl; C[CH](N1CC[CH](N[S](=O)(=O)c2s c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4 |
5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE |
| 26379 |  GS6 CHEMBL217914 DB07844 ZINC000014950092 |
1 | C19 H22 Cl N3 O5 S2 | InChI=1S/C19H22ClN3O5S2/c 1-12(18(24)22-6-8-28-9-7- 22)23-5-4-15(19(23)25)21- 30(26,27)17-10-13-2-3-14( 20)11-16(13)29-17/h2-3,10 -12,15,21H,4-9H2,1H3/t12- ,15-/m0/s1; PHLKBODTBJLXRD-WFASDCNBSA-N |
CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3 cc4ccc(cc4s3)Cl; O=C(N1CCOCC1)C(N4C(=O)C (NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C; C[CH ](N1CC[CH](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2 )C1=O)C(=O)N4CCOCC4; C[C@@H](C(=O)N1CCOC C1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc 4s3)Cl; C[C@H](N1CC[C@H](N[S](=O)(=O)c2s c3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4 |
6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE |
| 26380 |  GS7 DB07845 ZINC000039193784 |
1 | C22 H21 F N6 O4 S | InChI=1S/C22H21FN6O4S/c1- 33-17-10-12(11-34(2,31)32 )6-7-15(17)27-22-28-20-13 (8-9-25-20)21(29-22)26-16 -5-3-4-14(23)18(16)19(24) 30/h3-10H,11H2,1-2H3,(H2, 24,30)(H3,25,26,27,28,29); VGYXXQRDIVRILX-UHFFFAOYSA-N |
COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc( c4C(=O)N)F)CS(=O)(=O)C; O=S(=O)(C)Cc1ccc (c(OC)c1)Nc2nc4c(c(n2)Nc3cccc(F)c3C(=O)N )ccn4; COc1cc(C[S](C)(=O)=O)ccc1Nc2nc3[n H]ccc3c(Nc4cccc(F)c4C(N)=O)n2 |
2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide |
| 26381 |  GS8 ZINC000219973738 |
11 | C10 H17 N3 O7 S | InChI=1S/C10H17N3O7S/c11- 5(10(18)19)1-2-7(14)13-6( 4-21-20)9(17)12-3-8(15)16 /h5-6,20H,1-4,11H2,(H,12, 17)(H,13,14)(H,15,16)(H,1 8,19)/t5-,6-/m0/s1; PFXSQLOWBQWLCX-WDSKDSINSA-N |
N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O )C(O)=O; C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C( C(=O)O)N; O=C(NCC(=O)O)C(NC(=O)CCC(C(=O) O)N)CSO; C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O )O)[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](C SO)C(=O)NCC(O)=O)C(O)=O |
S-Hydroxy-Glutathione |
| 26382 |  GS9 CHEMBL3590184 ZINC000095920922 |
4 | C16 H18 O5 S | InChI=1S/C16H18O5S/c17-8- 12-13(18)14(19)15(20)16(2 1-12)22-11-6-5-9-3-1-2-4- 10(9)7-11/h1-7,12-20H,8H2 /t12-,13+,14+,15-,16+/m1/ s1; UTPJJZURVZIAID-CWVYHPPDSA-N |
OC[CH]1O[CH](Sc2ccc3ccccc3c2)[CH](O)[CH] (O)[CH]1O; OC[C@H]1O[C@@H](Sc2ccc3ccccc3 c2)[C@H](O)[C@@H](O)[C@H]1O; S(c1ccc2c(c 1)cccc2)C3OC(C(O)C(O)C3O)CO; c1ccc2cc(cc c2c1)SC3C(C(C(C(O3)CO)O)O)O; c1ccc2cc(cc c2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3) CO)O)O)O |
naphthalen-2-yl 1-thio-beta-D-galactopyranoside; naphthalen-2-yl 1-thio-beta-D-galactoside; naphthalen-2-yl 1-thio-D-galactoside; naphthalen-2-yl 1-thio-galactoside |
| 26383 |  GSA DB02837 |
0 | C6 H12 O9 S | InChI=1/C6H12O9S/c7-1-2-5 (15-16(11,12)13)3(8)4(9)6 (10)14-2/h2-10H,1H2,(H,11 ,12,13)/t2-,3-,4-,5+,6-/m 1/s1/f/h11H; LOTQRUGOUKUSEY-FTKNYABVDI |
C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([ C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O) O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O)[C@H] (O)[C@@H](O)[C@H]1O[S](O)(=O)=O |
O4-SULFONYLGALACTOSE |
| 26384 |  GSB DB03602 ZINC000003874918 |
16 | C17 H23 N3 O6 S | InChI=1S/C17H23N3O6S/c18- 12(17(25)26)6-7-14(21)20- 13(16(24)19-8-15(22)23)10 -27-9-11-4-2-1-3-5-11/h1- 5,12-13H,6-10,18H2,(H,19, 24)(H,20,21)(H,22,23)(H,2 5,26)/t12-,13-/m0/s1; XYJWEQWNNKNSFU-STQMWFEESA-N |
c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O) CC[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](CS Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O; N[C@@H]( CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(O)=O )C(O)=O; c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC (=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O)NC(C( =O)NCC(=O)O)CSCc1ccccc1 |
S-BENZYL-GLUTATHIONE |
| 26385 |  GSC |
0 | C4 H9 N O2 S | InChI=1S/C4H9NO2S/c1-2-8- 3(5)4(6)7/h3H,2,5H2,1H3,( H,6,7)/t3-/m0/s1; HHTTVXNPKPIBQE-VKHMYHEASA-N |
CCS[CH](N)C(O)=O; CCS[C@H](N)C(O)=O; CCS C(C(=O)O)N; O=C(O)C(SCC)N; CCS[C@@H](C(= O)O)N |
2-ETHYLTHIO GLYCINE |
| 26386 |  GSD DB03584 |
0 | C6 H12 O5 S | InChI=1/C6H12O5S/c7-1-2-5 (12)3(8)4(9)6(10)11-2/h2- 10,12H,1H2/t2-,3-,4-,5-,6 ?/m1/s1; KGSURTOFVLAWDC-IVMDWMLBBI |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O) O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1 C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH ](O)[CH](O)[CH]1S |
4-THIO-D-GLUCOSE |
| 26387 |  GSE DB02497 |
1 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-5(6 (10)11)3-15-16(12,13)14-2 -4(9)1-8/h4-5,8-9H,1-3,7H 2,(H,10,11)(H,12,13)/t4-, 5+/m1/s1; ZWZWYGMENQVNFU-UHNVWZDZSA-N |
O=C(O)C(N)COP(=O)(OCC(O)CO)O; C(C(COP(=O )(O)OCC(C(=O)O)N)O)O; N[CH](CO[P](O)(=O) OC[CH](O)CO)C(O)=O; N[C@@H](CO[P@](O)(=O )OC[C@H](O)CO)C(O)=O; C([C@H](CO[P@](=O) (O)OC[C@@H](C(=O)O)N)O)O |
L-ALPHA-GLYCEROPHOSPHORYLSERINE |
| 26388 |  GSF DB04700 ZINC000012504471 |
9 | C10 H17 N3 O8 S | InChI=1S/C10H17N3O8S/c11- 5(10(18)19)1-2-7(14)13-6( 4-22(20)21)9(17)12-3-8(15 )16/h5-6H,1-4,11H2,(H,12, 17)(H,13,14)(H,15,16)(H,1 8,19)(H,20,21)/t5-,6-/m0/ s1; DMAPAHUEYHXRFI-WDSKDSINSA-N |
C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O) O)[C@@H](C(=O)O)N; C(CC(=O)NC(CS(=O)O)C( =O)NCC(=O)O)C(C(=O)O)N; N[C@@H](CCC(=O)N [C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O; O =C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N ; N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC( O)=O)C(O)=O |
L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE; GLUTATHIONE SULFINATE |
| 26389 |  GSG |
1 | C22 H27 N3 O3 | InChI=1S/C22H27N3O3/c1-5- 15-8-6-7-9-18(15)23-21(26 )28-16-10-11-19-17(14-16) 22(2)12-13-25(4,27)20(22) 24(19)3/h6-11,14,20H,5,12 -13H2,1-4H3,(H,23,26); MVHRCJQCKYPDRL-UHFFFAOYSA-N |
CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+ ]([C@@H]4[N@]3C)(C)[O-])C; O=C(Oc1cc2c(c c1)N(C3[N+]([O-])(CCC23C)C)C)Nc4ccccc4CC ; CCc1ccccc1NC(=O)Oc2ccc3c(c2)C4(CC[N+]( C4N3C)(C)[O-])C; CCc1ccccc1NC(=O)Oc2ccc3 N(C)C4C(C)(CC[N+]4(C)[O-])c3c2 |
1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE; GANSTIGMINE; (-)-(3AS,8AS,1S)-1,2,3,3A,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOL-5-OL-2'-ETHYLPHENYLCARBAMATE N-OXIDE HYDROCHLORIDE |
| 26390 |  GSH CHEMBL1543 DB00143 ZINC000003830891 |
1199 | C10 H17 N3 O6 S | InChI=1S/C10H17N3O6S/c11- 5(10(18)19)1-2-7(14)13-6( 4-20)9(17)12-3-8(15)16/h5 -6,20H,1-4,11H2,(H,12,17) (H,13,14)(H,15,16)(H,18,1 9)/t5-,6-/m0/s1; RWSXRVCMGQZWBV-WDSKDSINSA-N |
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H]( C(=O)O)N; N[CH](CCC(=O)N[CH](CS)C(=O)NCC (O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CS) C(=O)NCC(O)=O)C(O)=O; C(CC(=O)NC(CS)C(=O )NCC(=O)O)C(C(=O)O)N; O=C(NCC(=O)O)C(NC( =O)CCC(N)C(=O)O)CS |
Glutathione |
| 26391 |  GSI ZINC000029130721 |
1 | C22 H25 Cl F N5 O3 S2 | InChI=1S/C22H25ClFN5O3S2/ c1-27(2)14-21-25-9-11-28( 21)15-3-5-19(17(24)13-15) 29-10-7-18(22(29)30)26-34 (31,32)12-8-16-4-6-20(23) 33-16/h3-6,9,11,13,18,26H ,7-8,10,12,14H2,1-2H3/t18 -/m0/s1; JENHCPNBBPPGMN-SFHVURJKSA-N |
CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3= O)NS(=O)(=O)CCc4ccc(s4)Cl; CN(C)Cc1nccn1 c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4 )C3=O)c(F)c2; Clc1sc(cc1)CCS(=O)(=O)NC4C (=O)N(c3ccc(n2ccnc2CN(C)C)cc3F)CC4; CN(C )Cc1nccn1c2ccc(N3CC[C@H](N[S](=O)(=O)CCc 4sc(Cl)cc4)C3=O)c(F)c2; CN(C)Cc1nccn1c2c cc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s 4)Cl |
2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide |
| 26392 |  GSJ CHEMBL373451 ZINC000014950028 |
1 | C23 H31 Cl N4 O6 S2 | InChI=1S/C23H31ClN4O6S2/c 1-15(2)27(12-10-25-35(4,3 1)32)22(29)16(3)28-11-9-2 1(23(28)30)26-36(33,34)20 -8-6-17-13-19(24)7-5-18(1 7)14-20/h5-8,13-16,21,25- 26H,9-12H2,1-4H3/t16-,21- /m0/s1; MTIPCPPIOZUMIV-KKSFZXQISA-N |
O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c 2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C; CC(C)N( CCN[S](C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N [S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O; CC(C )N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H] (C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C )N(CCNS(=O)(=O)C)C(=O)C(C)N1CCC(C1=O)NS( =O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C)N(CCN[S] (C)(=O)=O)C(=O)[CH](C)N1CC[CH](N[S](=O)( =O)c2ccc3cc(Cl)ccc3c2)C1=O |
1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)- |
| 26393 |  GSK CHEMBL385587 DB07847 ZINC000014950061 |
1 | C21 H24 Cl N3 O5 S | InChI=1S/C21H24ClN3O5S/c1 -14(20(26)24-8-10-30-11-9 -24)25-7-6-19(21(25)27)23 -31(28,29)18-5-3-15-12-17 (22)4-2-16(15)13-18/h2-5, 12-14,19,23H,6-11H2,1H3/t 14-,19-/m0/s1; ICLOZQFWTRAYPX-LIRRHRJNSA-N |
C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)c cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1)C (N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)C C4)C; C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc 3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4; CC(C(= O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc (ccc4c3)Cl; C[C@@H](C(=O)N1CCOCC1)N2CC[C @@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl |
6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE |
| 26394 |  GSL CHEMBL406974 ZINC000024753414 |
3 | C38 H73 N O9 | InChI=1S/C38H73NO9/c1-3-5 -7-9-11-13-15-16-18-19-21 -23-25-27-31(40)30(29-47- 38-35(44)33(42)34(43)36(4 8-38)37(45)46)39-32(41)28 -26-24-22-20-17-14-12-10- 8-6-4-2/h30-31,33-36,38,4 0,42-44H,3-29H2,1-2H3,(H, 39,41)(H,45,46)/t30-,31+, 33-,34+,35+,36-,38-/m0/s1; IRPOZWRRAFKYMQ-LMIAXWKISA-N |
CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O )O)O)O)NC(=O)CCCCCCCCCCCCC)O; CCCCCCCCCC CCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([ C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCC CCCCCC)O; CCCCCCCCCCCCCCC[CH](O)[CH](CO[ CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC (=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCC[C@@H] (O)[C@H](CO[C@H]1O[C@@H]([C@H](O)[C@H](O )[C@H]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC; O=C (O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCC CCCCCCCCCCC)C(O)C(O)C1O |
(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID; (2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL |
| 26395 |  GSM CHEMBL1233129 DB04701 ZINC000001532230 |
8 | C11 H19 N3 O6 S | InChI=1S/C11H19N3O6S/c1-2 1-5-7(10(18)13-4-9(16)17) 14-8(15)3-2-6(12)11(19)20 /h6-7H,2-5,12H2,1H3,(H,13 ,18)(H,14,15)(H,16,17)(H, 19,20)/t6-,7-/m0/s1; QTQDDTSVRVWHMO-BQBZGAKWSA-N |
CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC (O)=O; CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(= O)NCC(O)=O; CSC[C@@H](C(=O)NCC(=O)O)NC(= O)CC[C@@H](C(=O)O)N; O=C(NCC(=O)O)C(NC(= O)CCC(C(=O)O)N)CSC; CSCC(C(=O)NCC(=O)O)N C(=O)CCC(C(=O)O)N |
L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE; S-METHYL-GLUTATHIONE |
| 26396 |  GSN |
8 | C10 H14 N4 O7 S | InChI=1S/C10H16N4O7S/c11- 5(10(19)20)1-2-7(15)13-6( 4-22-14-21)9(18)12-3-8(16 )17/h5-6H,1-4,11H2,(H,12, 18)(H,13,15)(H,16,17)(H,1 9,20)/p-2/t5-,6-/m0/s1; HYHSBSXUHZOYLX-WDSKDSINSA-L |
C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[ C@@H](C(=O)[O-])N; N[C@@H](CCC(=O)N[C@@H ](CSN=O)C(=O)NCC([O-])=O)C([O-])=O; C(CC (=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O- ])N; N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([ O-])=O)C([O-])=O; O=C(NC(C(=O)NCC([O-])= O)CSN=O)CCC(C([O-])=O)N |
2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE; S-NITROSOGLUTATHIONE; S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE |
| 26397 |  GSO |
4 | C18 H25 N3 O7 S | InChI=1S/C18H25N3O7S/c19- 12(18(27)28)6-7-15(23)21- 13(17(26)20-8-16(24)25)9- 29-10-14(22)11-4-2-1-3-5- 11/h1-5,12-14,22H,6-10,19 H2,(H,20,26)(H,21,23)(H,2 4,25)(H,27,28)/t12-,13-,1 4+/m0/s1; SZOWFFWYTHGUAW-MELADBBJSA-N |
N[CH](CCC(=O)N[CH](CSC[CH](O)c1ccccc1)C( =O)NCC(O)=O)C(O)=O; c1ccc(cc1)[C@@H](CSC [C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O )O)N)O; N[C@@H](CCC(=O)N[C@@H](CSC[C@@H] (O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O; c1ccc( cc1)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O) O)N)O; O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O )CSCC(O)c1ccccc1 |
L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE |
| 26398 |  GSP CHEMBL1204628 DB01864 ZINC000008217391 |
336 | C10 H16 N5 O13 P3 S | InChI=1S/C10H16N5O13P3S/c 11-10-13-7-4(8(18)14-10)1 2-2-15(7)9-6(17)5(16)3(26 -9)1-25-29(19,20)27-30(21 ,22)28-31(23,24)32/h2-3,5 -6,9,16-17H,1H2,(H,19,20) (H,21,22)(H2,23,24,32)(H3 ,11,13,14,18)/t3-,5-,6-,9 -/m1/s1; XOFLBQFBSOEHOG-UUOKFMHZSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O P(=S)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2 C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@ @](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O; c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N= C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[ CH](O)[CH]3O; S=P(O)(O)OP(=O)(O)OP(=O)(O )OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE |
| 26399 |  GSQ CHEMBL375112 DB07848 ZINC000014950104 |
1 | C19 H23 Cl N4 O5 S | InChI=1S/C19H23ClN4O5S/c1 -12(18(25)23-6-8-29-9-7-2 3)24-5-4-16(19(24)26)22-3 0(27,28)17-11-13-10-14(20 )2-3-15(13)21-17/h2-3,10- 12,16,21-22H,4-9H2,1H3/t1 2-,16-/m0/s1; BHNMMFGOJRIAEZ-LRDDRELGSA-N |
C[C@H](N1CC[C@H](N[S](=O)(=O)c2[nH]c3ccc (Cl)cc3c2)C1=O)C(=O)N4CCOCC4; C[C@@H](C( =O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3 cc4cc(ccc4[nH]3)Cl; C[CH](N1CC[CH](N[S]( =O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4 CCOCC4; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(= O)(=O)c3cc4cc(ccc4[nH]3)Cl; O=C(N1CCOCC1 )C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3) CC4)C |
5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE |
| 26400 |  GSR ZINC000058660356 |
0 | C18 H22 N5 O8 P | InChI=1S/C18H22N5O8P/c24- 7-11(10-4-2-1-3-5-10)20-1 8-21-16-15(17(26)22-18)19 -9-23(16)14-6-12(25)13(31 -14)8-30-32(27,28)29/h1-5 ,9,11-14,24-25H,6-8H2,(H2 ,27,28,29)(H2,20,21,22,26 )/t11-,12-,13+,14+/m0/s1; PJRDXCSKOSXVOB-IGQOVBAYSA-N |
c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)CO P(=O)(O)O)O)C(=O)N2; OC[C@H](NC1=Nc2n(cn c2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O) (O)=O)O3)c4ccccc4; c1ccc(cc1)[C@H](CO)NC 2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O )(O)O)O)C(=O)N2; O=C2c3ncn(c3N=C(NC(c1cc ccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O; OC[C H](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH ](CO[P](O)(O)=O)O3)c4ccccc4 |
2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE |