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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 22001 |  GHL |
1 | C22 H33 N5 O2 S | InChI=1S/C22H33N5O2S/c1-7 -15-18(14(3)28)13(2)25-19 (15)16-11-30-21(26-16)27- 9-8-23-10-17(27)20(29)24- 12-22(4,5)6/h11,17,23,25H ,7-10,12H2,1-6H3,(H,24,29 )/t17-/m1/s1; BIQUDHDFGPBAHX-QGZVFWFLSA-N |
CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C @@H]3C(=O)NCC(C)(C)C; CCc1c(c([nH]c1c2cs c(n2)N3CCNC[C@@H]3C(=O)NCC(C)(C)C)C)C(=O )C; CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CC NC[CH]3C(=O)NCC(C)(C)C; CCc1c(c([nH]c1c2 csc(n2)N3CCNCC3C(=O)NCC(C)(C)C)C)C(=O)C |
(2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide |
| 22002 |  GHM CHEMBL296024 ZINC000000105301 |
4 | C9 H6 O6 | InChI=1S/C9H6O6/c10-7(11) 4-1-2-5(8(12)13)6(3-4)9(1 4)15/h1-3H,(H,10,11)(H,12 ,13)(H,14,15); ARCGXLSVLAOJQL-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O; c1cc(cc( c1C(O)=O)C(O)=O)C(O)=O; OC(=O)c1ccc(C(O) =O)c(c1)C(O)=O |
benzene-1,2,4-tricarboxylic acid |
| 22003 |  GHN |
1 | C16 H17 F3 N2 O4 S2 | InChI=1S/C16H17F3N2O4S2/c 1-2-25-15(22)9-14-21-13(1 0-26-14)11-3-5-12(6-4-11) 27(23,24)20-8-7-16(17,18) 19/h3-6,10,20H,2,7-9H2,1H 3; BOOGQWHJJOHPJE-UHFFFAOYSA-N |
CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)N CCC(F)(F)F; CCOC(=O)Cc1nc(cs1)c2ccc(cc2) S(=O)(=O)NCCC(F)(F)F |
ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate |
| 22004 |  GHO |
7 | C2 H6 O4 S | InChI=1S/C2H6O4S/c1-2(3)7 (4,5)6/h2-3H,1H3,(H,4,5,6 )/t2-/m1/s1; WLXGQMVCYPUOLM-UWTATZPHSA-N |
C[C@H](O)S(=O)(=O)O; C[C@H](O)[S](O)(=O) =O; CC(O)S(=O)(=O)O; C[CH](O)[S](O)(=O)= O |
(1R)-1-hydroxyethane-1-sulfonic acid |
| 22005 |  GHP CHEMBL1232204 DB04308 ZINC000000157101 |
0 | C8 H9 N O3 | InChI=1S/C8H9NO3/c9-7(8(1 1)12)5-1-3-6(10)4-2-5/h1- 4,7,10H,9H2,(H,11,12)/t7- /m1/s1; LJCWONGJFPCTTL-SSDOTTSWSA-N |
N[CH](C(O)=O)c1ccc(O)cc1; O=C(O)C(N)c1cc c(O)cc1; c1cc(ccc1C(C(=O)O)N)O; c1cc(ccc 1[C@H](C(=O)O)N)O; N[C@@H](C(O)=O)c1ccc( O)cc1 |
(2R)-amino(4-hydroxyphenyl)ethanoic acid |
| 22006 |  GHQ |
1 | C10 H10 F3 N O | InChI=1S/C10H10F3NO/c11-1 0(12,13)6-7-14-9(15)8-4-2 -1-3-5-8/h1-5H,6-7H2,(H,1 4,15); HGTGCLBXLPLRNB-UHFFFAOYSA-N |
FC(F)(F)CCNC(=O)c1ccccc1; c1ccc(cc1)C(=O )NCCC(F)(F)F |
~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 22007 |  GHR ZINC000058650008 |
1 | C13 H16 Cl N3 O6 | InChI=1S/C13H16ClN3O6/c14 -6-1-3-7(4-2-6)15-13(22)2 3-17-12-11(21)10(20)9(19) 8(5-18)16-12/h1-4,8-11,18 -21H,5H2,(H,15,22)(H,16,1 7)/t8-,9-,10+,11-/m1/s1; TZXVKBJPSZOBNV-CHWFTXMASA-N |
c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@ H]([C@H](N2)CO)O)O)O)Cl; OC[CH]1NC(=NOC( =O)Nc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O; c 1cc(ccc1NC(=O)ON=C2C(C(C(C(N2)CO)O)O)O)C l; OC[C@H]1N\C(=N/OC(=O)Nc2ccc(Cl)cc2)[C @H](O)[C@@H](O)[C@@H]1O |
[[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate |
| 22008 |  GHS ZINC000001727046 |
1 | C7 H15 N3 O2 | InChI=1S/C7H15N3O2/c8-7(9 )10-5-3-1-2-4-6(11)12/h1- 5H2,(H,11,12)(H4,8,9,10); NSDYIDKTTPXCRH-UHFFFAOYSA-N |
[H]/N=C(\N)/NCCCCCC(=O)O; O=C(O)CCCCCNC( =[N@H])N; NC(=N)NCCCCCC(O)=O; C(CCC(=O)O )CCNC(=N)N |
6-carbamimidamidohexanoic acid |
| 22009 |  GHT |
1 | C19 H19 N O4 | InChI=1S/C19H19NO4/c1-20- 5-4-10-7-15(22)19(24-3)18 -12-9-16(23-2)14(21)8-11( 12)6-13(20)17(10)18/h6-9, 21-22H,4-5H2,1-3H3; XPRXRILREFALSL-UHFFFAOYSA-N |
COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34 ; CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC )O |
Boldine |
| 22010 |  GHU |
1 | C20 H28 N4 O4 | InChI=1S/C20H28N4O4/c1-3- 15-18(19(21)24-20(22)23-1 5)28-13-7-12-27-16-9-6-5- 8-14(16)10-11-17(25)26-4- 2/h5-6,8-9H,3-4,7,10-13H2 ,1-2H3,(H4,21,22,23,24); QGVUSMGBEBYBHO-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O CC; CCOC(=O)CCc1ccccc1OCCCOc2c(N)nc(N)nc 2CC |
ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate |
| 22011 |  GHV |
2 | C27 H34 N4 O4 | InChI=1S/C27H34N4O4/c1-31 (2)23-11-8-19(9-12-23)10- 13-25(33)30-24(16-20-6-4- 3-5-7-20)27(35)29-22(18-3 2)17-21-14-15-28-26(21)34 /h3-13,21-22,24,32H,14-18 H2,1-2H3,(H,28,34)(H,29,3 5)(H,30,33)/b13-10+/t21-, 22-,24-/m0/s1; MMLGNYLPTJZWEN-XNUWVNOVSA-N |
CN(C)c1ccc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C (=O)N[C@H](CO)C[C@@H]3CCNC3=O)cc1; CN(C) c1ccc(cc1)C=CC(=O)NC(Cc2ccccc2)C(=O)NC(C C3CCNC3=O)CO; CN(C)c1ccc(cc1)/C=C/C(=O)N [C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CC NC3=O)CO; CN(C)c1ccc(C=CC(=O)N[CH](Cc2cc ccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1 |
(2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide |
| 22012 |  GHW CHEMBL562369 ZINC000039274608 |
2 | C19 H18 N4 O6 S2 | InChI=1S/C19H18N4O6S2/c1- 8-14(13-16(27)22-19(20)23 -17(13)30-8)31-10-4-2-9(3 -5-10)15(26)21-11(18(28)2 9)6-7-12(24)25/h2-5,11H,6 -7H2,1H3,(H,21,26)(H,24,2 5)(H,28,29)(H3,20,22,23,2 7)/t11-/m0/s1; XZCPGLYOPFIZBL-NSHDSACASA-N |
Cc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[ C@@H](CCC(O)=O)C(O)=O; O=C(O)C(NC(=O)c3c cc(Sc1c(sc2N=C(NC(=O)c12)N)C)cc3)CCC(=O) O; Cc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O )N[CH](CCC(O)=O)C(O)=O; Cc1c(c2c(s1)N=C( NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O )C(=O)O; Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc( cc3)C(=O)NC(CCC(=O)O)C(=O)O |
N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid |
| 22013 |  GHX |
3 | C24 H29 N3 O5 | InChI=1S/C24H29N3O5/c28-1 5-20(14-19-11-12-25-22(19 )29)26-23(30)21(13-17-7-3 -1-4-8-17)27-24(31)32-16- 18-9-5-2-6-10-18/h1-10,19 -21,28H,11-16H2,(H,25,29) (H,26,30)(H,27,31)/t19-,2 0-,21-/m0/s1; SDSQZWABGUFEMG-ACRUOGEOSA-N |
OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc 2)NC(=O)OCc3ccccc3; c1ccc(cc1)CC(C(=O)NC (CC2CCNC2=O)CO)NC(=O)OCc3ccccc3; OC[C@H] (C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)N C(=O)OCc3ccccc3; c1ccc(cc1)C[C@@H](C(=O) N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccc cc3 |
(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate |
| 22014 |  GHY |
1 | C20 H29 N3 O5 | InChI=1S/C20H29N3O5/c1-13 (2)28-20(27)23-17(10-14-6 -4-3-5-7-14)19(26)22-16(1 2-24)11-15-8-9-21-18(15)2 5/h3-7,13,15-17,24H,8-12H 2,1-2H3,(H,21,25)(H,22,26 )(H,23,27)/t15-,16-,17-/m 0/s1; DESRATCONZEYFJ-ULQDDVLXSA-N |
CC(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2 =O)CO; CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O )N[C@@H](C[C@@H]2CCNC2=O)CO; CC(C)OC(=O) N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C[C@@H] 2CCNC2=O; CC(C)OC(=O)N[CH](Cc1ccccc1)C(= O)N[CH](CO)C[CH]2CCNC2=O |
propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate |
| 22015 |  GHZ |
1 | C21 H31 N3 O5 | InChI=1S/C21H31N3O5/c1-14 (2)13-29-21(28)24-18(10-1 5-6-4-3-5-7-15)20(27)23-1 7(12-25)11-16-8-9-22-19(1 6)26/h3-7,14,16-18,25H,8- 13H2,1-2H3,(H,22,26)(H,23 ,27)(H,24,28)/t16-,17-,18 -/m0/s1; OETPXUIOYJZSTO-BZSNNMDCSA-N |
CC(C)COC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC 2=O)CO; CC(C)COC(=O)N[C@@H](Cc1ccccc1)C( =O)N[C@@H](C[C@@H]2CCNC2=O)CO; CC(C)COC( =O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2C CNC2=O; CC(C)COC(=O)N[C@@H](Cc1ccccc1)C( =O)N[C@H](CO)C[C@@H]2CCNC2=O |
2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate |
| 22016 |  GI0 CHEMBL5200427 |
2 | C21 H26 N6 O S | InChI=1S/C21H26N6OS/c1-13 -10-22-25-16(13)11-26-6-8 -27(9-7-26)21-24-17(12-29 -21)20-15-4-3-5-18(28)19( 15)14(2)23-20/h10,12,23H, 3-9,11H2,1-2H3,(H,22,25); NMLXMNVJOHDFQA-UHFFFAOYSA-N |
Cc1c[nH]nc1CN2CCN(CC2)c3nc(cs3)c4c5c(c([ nH]4)C)C(=O)CCC5; Cc1[nH]c(c2CCCC(=O)c12 )c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C |
3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one |
| 22017 |  GI1 ZINC000103543065 |
2 | C10 H17 N2 O6 | InChI=1S/C10H16N2O6/c1-18 -10(17)4-2-12-5(3-13)6(14 )7(15)8(16)9(12)11-4/h2,5 -8,10,13-17H,3H2,1H3/p+1/ t5-,6-,7+,8-,10+/m1/s1; FURNYGCGTCIRPM-GBMPTNJUSA-O |
CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C @@H]([C@H]2CO)O)O)O)O; CO[C@H](O)c1[nH]c 2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+] 2c1; OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO ; COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O ; CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O) [CH](CO)[n+]2c1 |
METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE |
| 22018 |  GI2 ZINC000103543074 |
2 | C11 H17 N2 O6 | InChI=1S/C11H16N2O6/c1-19 -7(15)2-5-3-13-6(4-14)8(1 6)9(17)10(18)11(13)12-5/h 3,6,8-10,14,16-18H,2,4H2, 1H3/p+1/t6-,8-,9+,10-/m1/ s1; YBOGGQIIIVIQDH-SFKDOBOXSA-O |
COC(=O)Cc1[nH]c2[C@H](O)[C@@H](O)[C@H](O )[C@@H](CO)[n+]2c1; COC(=O)Cc1c[n+]2c([n H]1)C(C(C(C2CO)O)O)O; COC(=O)Cc1c[n+]2c( [nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O ; COC(=O)Cc1[nH]c2[CH](O)[CH](O)[CH](O)[ CH](CO)[n+]2c1; O=C(OC)Cc1c[n+]2c(n1)C(O )C(O)C(O)C2CO |
METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLE |
| 22019 |  GI3 ZINC000103543080 |
2 | C9 H13 N2 O6 | InChI=1S/C9H12N2O6/c12-2- 4-5(13)6(14)7(15)8-10-3(9 (16)17)1-11(4)8/h1,4-7,12 -15H,2H2,(H,16,17)/p+1/t4 -,5-,6+,7-/m1/s1; RYZHANTZYYFSGC-MVIOUDGNSA-O |
O=C(O)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO; c1c ([nH]c2[n+]1C(C(C(C2O)O)O)CO)C(=O)O; c1c ([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O) O)O)CO)C(=O)O; OC[C@@H]1[C@@H](O)[C@H](O )[C@@H](O)c2[nH]c(c[n+]12)C(O)=O; OC[CH] 1[CH](O)[CH](O)[CH](O)c2[nH]c(c[n+]12)C( O)=O |
CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLE |
| 22020 |  GI4 ZINC000058631500 |
2 | C10 H15 N2 O6 | InChI=1S/C10H14N2O6/c13-3 -5-7(16)8(17)9(18)10-11-4 (1-6(14)15)2-12(5)10/h2,5 ,7-9,13,16-18H,1,3H2,(H,1 4,15)/p+1/t5-,7-,8+,9-/m1 /s1; FOWXVHLJDQDRHS-BUJSFMDZSA-O |
OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CC(O )=O)c[n+]12; OC[C@@H]1[C@@H](O)[C@H](O)[ C@@H](O)c2[nH]c(CC(O)=O)c[n+]12; c1c([nH ]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O) CO)CC(=O)O; O=C(O)Cc1c[n+]2c(n1)C(O)C(O) C(O)C2CO; c1c([nH]c2[n+]1C(C(C(C2O)O)O)C O)CC(=O)O |
METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLE |
| 22021 |  GI5 |
2 | C24 H24 N2 O6 | InChI=1S/C24H24N2O6/c1-15 (27)26-13-20(19-6-2-3-7-2 1(19)26)23(28)25-18-11-16 (10-17(12-18)24(29)30)14- 32-22-8-4-5-9-31-22/h2-3, 6-7,10-13,22H,4-5,8-9,14H 2,1H3,(H,25,28)(H,29,30)/ t22-/m0/s1; MBYTWRXIPXJQJP-QFIPXVFZSA-N |
CC(=O)n1cc(c2c1cccc2)C(=O)Nc3cc(cc(c3)C( =O)O)COC4CCCCO4; CC(=O)n1cc(c2c1cccc2)C( =O)Nc3cc(cc(c3)C(=O)O)CO[C@H]4CCCCO4; CC (=O)n1cc(C(=O)Nc2cc(CO[C@H]3CCCCO3)cc(c2 )C(O)=O)c4ccccc14; CC(=O)n1cc(C(=O)Nc2cc (CO[CH]3CCCCO3)cc(c2)C(O)=O)c4ccccc14 |
3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid |
| 22022 |  GI6 |
1 | C19 H27 N5 O3 | InChI=1S/C19H27N5O3/c1-3- 14-16(17(20)24-19(22)23-1 4)27-10-6-9-26-15-8-5-4-7 -13(15)11-12(2)18(21)25/h 4-5,7-8,12H,3,6,9-11H2,1- 2H3,(H2,21,25)(H4,20,22,2 3,24)/t12-/m1/s1; YFNRZOCVPAVTJW-GFCCVEGCSA-N |
CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C(N )=O; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@ H](C)C(=O)N; CCc1c(c(nc(n1)N)N)OCCCOc2cc ccc2CC(C)C(=O)N; CCc1nc(N)nc(N)c1OCCCOc1 ccccc1CC(C)C(N)=O; CCc1nc(N)nc(N)c1OCCCO c2ccccc2C[C@H](C)C(N)=O |
(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide |
| 22023 |  GI7 CHEMBL5204140 ZINC000034936087 |
1 | C13 H19 N5 O | InChI=1S/C13H19N5O/c1-10( 19)17-6-8-18(9-7-17)12-4- 2-11(3-5-12)16-13(14)15/h 2-5H,6-9H2,1H3,(H4,14,15, 16); MSILSEAASITEGZ-UHFFFAOYSA-N |
[H]/N=C(/N)\Nc1ccc(cc1)N2CCN(CC2)C(=O)C; CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=N)N; CC(= O)N1CCN(CC1)c2ccc(NC(N)=N)cc2 |
1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine |
| 22024 |  GI8 |
5 | C24 H23 N5 O2 S | InChI=1S/C24H23N5O2S/c1-1 3(2)24(19(11-26)22(27)31- 23-21(24)14(3)28-29-23)17 -8-15(10-25)7-16(9-17)20- 6-5-18(32-20)12-30-4/h5-9 ,13H,12,27H2,1-4H3,(H,28, 29)/t24-/m0/s1; DRGJPMMQBOXCQB-DEOSSOPVSA-N |
COCc1sc(cc1)c2cc(cc(c2)[C]3(C(C)C)C(=C(N )Oc4n[nH]c(C)c34)C#N)C#N; Cc1c2c(n[nH]1) OC(=C(C2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C )C)C#N)N; COCc1sc(cc1)c2cc(cc(c2)[C@@]3( C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N; Cc 1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cc c(s4)COC)C#N)C(C)C)C#N)N |
(4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
| 22025 |  GI9 CHEMBL99895 ZINC000004394067 |
1 | C35 H47 N7 O5 | InChI=1S/C35H47N7O5/c1-22 (25-21-37-26-12-6-5-11-24 (25)26)30(31(43)38-28(14- 9-10-18-36)32(44)47-35(2, 3)4)40-33(45)41-19-16-23( 17-20-41)42-29-15-8-7-13- 27(29)39-34(42)46/h5-8,11 -13,15,21-23,28,30,37H,9- 10,14,16-20,36H2,1-4H3,(H ,38,43)(H,39,46)(H,40,45) /t22-,28-,30+/m0/s1; WFCIXKAZBUIFTR-PKIMSIDOSA-N |
C[C@H]([C@@H](NC(=O)N1CCC(CC1)N2C(=O)Nc3 ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C) C)c4c[nH]c5ccccc45; C[CH]([CH](NC(=O)N1C CC(CC1)N2C(=O)Nc3ccccc23)C(=O)N[CH](CCCC N)C(=O)OC(C)(C)C)c4c[nH]c5ccccc45; C[C@@ H](c1c[nH]c2c1cccc2)[C@H](C(=O)N[C@@H](C CCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4c5 ccccc5NC4=O; CC(c1c[nH]c2c1cccc2)C(C(=O) NC(CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3) N4c5ccccc5NC4=O |
tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate; L-054,52 |
| 22026 |  GIA CHEMBL1090719 ZINC000049068797 |
3 | C20 H16 F N O3 | InChI=1S/C20H16FNO3/c21-1 7-7-3-4-13(10-17)11-18(20 (24)25)22-19(23)16-9-8-14 -5-1-2-6-15(14)12-16/h1-1 0,12,18H,11H2,(H,22,23)(H ,24,25)/t18-/m1/s1; JVSARVOIIXAOKH-GOSISDBHSA-N |
OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3cccc c3c2; OC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c2 ccc3ccccc3c2; Fc1cc(ccc1)CC(C(=O)O)NC(=O )c3cc2ccccc2cc3; c1ccc2cc(ccc2c1)C(=O)N[ C@H](Cc3cccc(c3)F)C(=O)O; c1ccc2cc(ccc2c 1)C(=O)NC(Cc3cccc(c3)F)C(=O)O |
3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine |
| 22027 |  GIC ZINC000058631611 |
0 | C14 H17 N3 O3 | InChI=1S/C14H17N3O3/c15-5 -6-17(9-14(19)20)13(18)7- 10-8-16-12-4-2-1-3-11(10) 12/h1-4,8,16H,5-7,9,15H2, (H,19,20); AOYQSBAHDKERJH-UHFFFAOYSA-N |
c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O; O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN; NCCN( CC(O)=O)C(=O)Cc1c[nH]c2ccccc12 |
N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine |
| 22028 |  GID ZINC000001495011 |
4 | C9 H6 N2 O4 | InChI=1S/C9H6N2O4/c12-9(1 3)8-4-5-3-6(11(14)15)1-2- 7(5)10-8/h1-4,10H,(H,12,1 3); LHFOJSCXLFKDIR-UHFFFAOYSA-N |
O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O; c1cc2c( cc1N(=O)=O)cc([nH]2)C(=O)O; OC(=O)c1[nH] c2ccc(cc2c1)[N](=O)=O |
5-nitro-1H-indole-2-carboxylic acid |
| 22029 |  GIE CHEMBL5181472 |
1 | C16 H22 N4 O S | InChI=1S/C16H22N4OS/c1-4- 12-14(11(3)21)10(2)18-15( 12)13-9-22-16(19-13)20-7- 5-17-6-8-20/h9,17-18H,4-8 H2,1-3H3; GSMRYQUEJCTMHR-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 ; CCc1c(c([nH]c1c2csc(n2)N3CCNCC3)C)C(=O )C |
1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
| 22030 |  GIF CHEMBL1818433 |
8 | C6 H13 N O3 | InChI=1S/C6H13NO3/c8-3-4- 1-7-2-5(9)6(4)10/h4-10H,1 -3H2/t4-,5-,6+/m1/s1; QPYJXFZUIJOGNX-PBXRRBTRSA-N |
OC[CH]1CNC[CH](O)[CH]1O; OC[C@H]1CNC[C@@ H](O)[C@H]1O; OC1C(CO)CNCC1O; C1C(C(C(CN 1)O)O)CO; C1[C@@H]([C@@H]([C@@H](CN1)O)O )CO |
D-galacto-isofagomine |
| 22031 |  GIG CHEMBL396056 ZINC000016052298 |
1 | C23 H17 F4 N5 O4 | InChI=1S/C23H17F4N5O4/c1- 35-22(34)32-20-29-17-9-7- 15(11-19(17)30-20)36-14-5 -3-13(4-6-14)28-21(33)31- 18-10-12(23(25,26)27)2-8- 16(18)24/h2-11H,1H3,(H2,2 8,31,33)(H2,29,30,32,34); KADQEUOYNAPXRD-UHFFFAOYSA-N |
COC(=O)Nc1[nH]c2ccc(Oc3ccc(NC(=O)Nc4cc(c cc4F)C(F)(F)F)cc3)cc2n1; COC(=O)Nc1[nH]c 2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F) C(F)(F)F; FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4 ccc(Oc3ccc2c(nc(n2)NC(=O)OC)c3)cc4 |
METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE |
| 22032 |  GIH |
4 | C22 H25 F N5 O5 P | InChI=1S/C22H25FN5O5P/c1- 32-34(31,33-2)16-10-26-22 (27-18-12-5-3-11(4-6-12)1 7(18)21(29)30)28-19(16)15 -9-25-20-14(15)7-13(23)8- 24-20/h7-12,17-18H,3-6H2, 1-2H3,(H,24,25)(H,29,30)( H,26,27,28)/t11-,12+,17-, 18-/m0/s1; HZZFRSXJRJLLCP-CMKMFDCUSA-N |
COP(=O)(c1cnc(nc1c2c[nH]c3c2cc(cn3)F)N[C @@H]4[C@H](C5CCC4CC5)C(=O)O)OC; CO[P](=O )(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)n c1c4c[nH]c5ncc(F)cc45; CO[P](=O)(OC)c1cn c(N[C@H]2C3CCC(CC3)[C@@H]2C(O)=O)nc1c4c[ nH]c5ncc(F)cc45; COP(=O)(c1cnc(nc1c2c[nH ]c3c2cc(cn3)F)NC4C5CCC(C4C(=O)O)CC5)OC |
(2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid |
| 22033 |  GII |
2 | C18 H28 N6 O6 | InChI=1S/C18H28N6O6/c19-2 2-21-12-5-6-13(14(9-12)24 (29)30)20-7-3-1-2-4-8-23- 10-16(26)18(28)17(27)15(2 3)11-25/h5-6,9,15-18,20,2 5-28H,1-4,7-8,10-11H2/t15 -,16+,17-,18-/m1/s1; WSZFAXCTHDAHNX-XMTFNYHQSA-N |
c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCC CCN2CC(C(C(C2CO)O)O)O; c1cc(c(cc1N=[N+]= [N-])[N+](=O)[O-])NCCCCCCN2C[C@@H]([C@H] ([C@@H]([C@H]2CO)O)O)O; OC[C@@H]1[C@@H]( O)[C@H](O)[C@@H](O)CN1CCCCCCNc2ccc(cc2[N +]([O-])=O)N=[N+]=[N-]; [O-][N+](=O)c1cc (\N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O) C1CO; OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCC CCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-] |
(2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
| 22034 |  GIJ |
1 | C20 H26 F3 N5 O2 S | InChI=1S/C20H26F3N5O2S/c1 -4-13-16(12(3)29)11(2)26- 17(13)14-10-31-19(27-14)2 8-8-7-24-9-15(28)18(30)25 -6-5-20(21,22)23/h10,15,2 4,26H,4-9H2,1-3H3,(H,25,3 0)/t15-/m1/s1; PLKCLYWKGAEBFY-OAHLLOKOSA-N |
CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCC (F)(F)F)C)C(=O)C; CCc1c([nH]c(C)c1C(C)=O )c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F; C Cc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@ @H]3C(=O)NCCC(F)(F)F; CCc1c(c([nH]c1c2cs c(n2)N3CCNC[C@@H]3C(=O)NCCC(F)(F)F)C)C(= O)C |
(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide |
| 22035 |  GIK |
1 | C21 H23 Cl N4 O2 | InChI=1S/C21H23ClN4O2/c1- 12-21-19(26-25-12)9-14(17 -7-8-23-11-18(17)22)10-20 (21)28-16-5-3-15(4-6-16)2 4-13(2)27/h7-11,15-16H,3- 6H2,1-2H3,(H,24,27)(H,25, 26)/t15-,16-; VCIOFIORKGNIFB-WKILWMFISA-N |
CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C )c23)c4ccncc4Cl; Cc1c2c(cc(cc2OC3CCC(CC3 )NC(=O)C)c4ccncc4Cl)[nH]n1; CC(=O)N[C@H] 1CC[C@@H](CC1)Oc2cc(cc3[nH]nc(C)c23)c4cc ncc4Cl |
~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide |
| 22036 |  GIL CHEMBL1182001 ZINC000016051852 |
1 | C30 H35 F2 N5 O5 | InChI=1S/C30H35F2N5O5/c1- 15(2)14-35-27(38)19-10-11 -22(21(13-19)30(39)40)42- 29-24(32)25(37(16(3)4)17( 5)6)23(31)28(36-29)41-20- 9-7-8-18(12-20)26(33)34/h 7-13,15-17H,14H2,1-6H3,(H 3,33,34)(H,35,38)(H,39,40 ); JLWMMYZWEHHTFF-UHFFFAOYSA-N |
[H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc( cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F )/N; [H]N=C(c1cccc(c1)Oc2c(c(c(c(n2)Oc3c cc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C) C)F)N; O=C(NCC(C)C)c3ccc(Oc2nc(Oc1cc(C(= [N@H])N)ccc1)c(F)c(c2F)N(C(C)C)C(C)C)c(C (=O)O)c3; CC(C)CNC(=O)c1ccc(Oc2nc(Oc3ccc c(c3)C(N)=N)c(F)c(N(C(C)C)C(C)C)c2F)c(c1 )C(O)=O |
2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID; PD0297121 |
| 22037 |  GIM ZINC000103543099 |
10 | C8 H13 N2 O4 | InChI=1S/C8H12N2O4/c11-3- 4-5(12)6(13)7(14)8-9-1-2- 10(4)8/h1-2,4-7,11-14H,3H 2/p+1/t4-,5-,6+,7-/m1/s1; RZRDQZQPTISYKY-MVIOUDGNSA-O |
c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O; OCC2[n +]1ccnc1C(O)C(O)C2O; OC[CH]1[CH](O)[CH]( O)[CH](O)c2[nH]cc[n+]12; c1c[n+]2c([nH]1 )[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O; OC[ C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc [n+]12 |
GLUCOIMIDAZOLE; (5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| 22038 |  GIN DB07831 ZINC000016052157 |
2 | C23 H22 F3 N3 O2 | InChI=1S/C23H22F3N3O2/c1- 2-5-16-9-10-17(12-19(16)2 3(24,25)26)29-22(31)18-6- 3-4-7-20(18)27-13-15-8-11 -21(30)28-14-15/h3-4,6-12 ,14,27H,2,5,13H2,1H3,(H,2 8,30)(H,29,31); SHSORWZDEKFFLP-UHFFFAOYSA-N |
O=C1C=CC(=CN1)CNc3ccccc3C(=O)Nc2cc(c(cc2 )CCC)C(F)(F)F; CCCc1ccc(NC(=O)c2ccccc2NC C3=CNC(=O)C=C3)cc1C(F)(F)F; CCCc1ccc(cc1 C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3 |
2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE |
| 22039 |  GIO CHEMBL360216 DB04541 ZINC000000402826 |
2 | C7 H10 N2 O2 | InChI=1S/C7H10N2O2/c10-6- 4-8-7(11)5-2-1-3-9(5)6/h5 H,1-4H2,(H,8,11)/t5-/m0/s 1; OWOHLURDBZHNGG-YFKPBYRVSA-N |
O=C1CNC(=O)[C@@H]2CCCN12; C1CC2C(=O)NCC( =O)N2C1; C1C[C@H]2C(=O)NCC(=O)N2C1; O=C1 CNC(=O)[CH]2CCCN12; O=C1N2C(C(=O)NC1)CCC 2 |
CYCLO-(GLYCINE-L-PROLINE) INHIBITOR; (8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE |
| 22040 |  GIP DB03330 ZINC000014880713 |
4 | C17 H23 I N4 O8 S | InChI=1S/C17H23IN4O8S/c18 -9-1-3-10(4-2-9)22(30)17( 29)31-8-12(15(26)20-7-14( 24)25)21-13(23)6-5-11(19) 16(27)28/h1-4,11-12,17,29 -30H,5-8,19H2,(H,20,26)(H ,21,23)(H,24,25)(H,27,28) /t11-,12-,17+/m0/s1; SCHAHXXLASZJCD-NVGCLXPQSA-N |
N[CH](CCC(=O)N[CH](CS[CH](O)N(O)c1ccc(I) cc1)C(=O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O )N[C@@H](CS[C@@H](O)N(O)c1ccc(I)cc1)C(=O )NCC(O)=O)C(O)=O; c1cc(ccc1N(C(O)SC[C@@H ](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N) O)I; Ic1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC (=O)CCC(C(=O)O)N)cc1; c1cc(ccc1N(C(O)SCC (C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I |
S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE |
| 22041 |  GIQ CHEMBL1233049 ZINC000013282307 |
2 | C11 H10 N4 | InChI=1S/C11H10N4/c1-15-9 -5-4-8-7(3-2-6-13-8)10(9) 14-11(15)12/h2-6H,1H3,(H2 ,12,14); ARZWATDYIYAUTA-UHFFFAOYSA-N |
n2cccc3c1nc(n(c1ccc23)C)N; Cn1c(N)nc2c1c cc3ncccc23; Cn1c2ccc3c(c2nc1N)cccn3 |
3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE; 2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE |
| 22042 |  GIR CHEMBL1171272 ZINC000017192049 |
1 | C6 H11 Cl N4 O | InChI=1S/C6H11ClN4O/c7-3( 1-8)5(12)4-2-10-6(9)11-4/ h2-3,5,12H,1,8H2,(H3,9,10 ,11)/t3-,5+/m0/s1; YILCGOCHVFQMTC-WVZVXSGGSA-N |
c1c([nH]c(n1)N)C(C(CN)Cl)O; NC[C@H](Cl)[ C@@H](O)c1[nH]c(N)nc1; NC[CH](Cl)[CH](O) c1[nH]c(N)nc1; ClC(C(O)c1cnc(N)n1)CN; c1 c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O |
GIRODAZOLE |
| 22043 |  GIS ZINC000002047020 |
1 | C12 H14 Cl N3 O4 | InChI=1S/C12H14ClN3O4/c1- 2-20-11(19)9(13)7-4-3-6(1 6-12(14)15)5-8(7)10(17)18 /h3-5,9H,2H2,1H3,(H,17,18 )(H4,14,15,16)/t9-/m0/s1; HIYFNBISGUASFH-VIFPVBQESA-N |
CCOC(=O)C(c1ccc(cc1C(=O)O)NC(=N)N)Cl; CC OC(=O)[C@H](c1ccc(cc1C(=O)O)NC(=N)N)Cl; CCOC(=O)[CH](Cl)c1ccc(NC(N)=N)cc1C(O)=O; CCOC(=O)[C@@H](Cl)c1ccc(NC(N)=N)cc1C(O) =O; O=C(OCC)C(Cl)c1c(cc(NC(=[N@H])N)cc1) C(=O)O |
ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE |
| 22044 |  GIT |
1 | C20 H20 N4 O3 | InChI=1S/C20H20N4O3/c1-15 (25)13-24-18(19(22-23-24) 17-10-6-3-7-11-17)14-27-2 0(26)21-12-16-8-4-2-5-9-1 6/h2-11H,12-14H2,1H3,(H,2 1,26); WXRQXWFHRZFFIN-UHFFFAOYSA-N |
CC(=O)Cn1c(c(nn1)c2ccccc2)COC(=O)NCc3ccc cc3; O=C(C)Cn1nnc(c2ccccc2)c1COC(=O)NCc1 ccccc1; CC(=O)Cn1nnc(c1COC(=O)NCc2ccccc2 )c3ccccc3 |
[1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate |
| 22045 |  GIU ZINC000006745127 |
1 | C13 H15 N3 O2 S | InChI=1S/C13H15N3O2S/c17- 19(18,16-11-4-6-15-9-11)1 3-3-1-2-10-8-14-7-5-12(10 )13/h1-3,5,7-8,11,15-16H, 4,6,9H2/t11-/m0/s1; DPOHKNPOBZVTBK-NSHDSACASA-N |
c1cc2cnccc2c(c1)S(=O)(=O)N[C@H]3CCNC3; O =[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23; c1c c2cnccc2c(c1)S(=O)(=O)NC3CCNC3; O=[S](=O )(N[C@H]1CCNC1)c2cccc3cnccc23 |
~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide |
| 22046 |  GIV ZINC000000895055 |
15 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4+,5-,6-/m 0/s1; WQZGKKKJIJFFOK-KGJVWPDLSA-N |
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[ C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC [CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1C( O)C(OC(O)C1O)CO |
beta-L-galactopyranose; beta-L-galactose; L-galactose; galactose |
| 22047 |  GIW |
5 | C5 H8 O2 S2 | InChI=1S/C5H8O2S2/c6-4(7) 5-8-2-1-3-9-5/h5H,1-3H2,( H,6,7); BZBYEAWKJNCPLB-UHFFFAOYSA-N |
OC(=O)C1SCCCS1; C1CSC(SC1)C(=O)O; O=C(O) C1SCCCS1 |
1,3-dithiane-2-carboxylic acid |
| 22048 |  GIX |
2 | C34 H32 Ga N4 O4 | InChI=1S/C34H34N4O4.Ga/c1 -7-21-17(3)25-13-26-19(5) 23(9-11-33(39)40)31(37-26 )16-32-24(10-12-34(41)42) 20(6)28(38-32)15-30-22(8- 2)18(4)27(36-30)14-29(21) 35-25;/h7-8,13-16H,1-2,9- 12H2,3-6H3,(H4,35,36,37,3 8,39,40,41,42);/q;+7/p-2/ b25-13-,26-13-,27-14-,28- 15-,29-14-,30-15-,31-16-, 32-16-;; XUFWVOPKBVHDTA-RGGAHWMASA-L |
CC1=C(CCC(O)=O)C2=CC3=[N@@+]4C(=Cc5n6c(C =C7C(=C(C)C8=[N@@+]7[Ga+3]46[N@@]2C1=C8) C=C)c(C)c5C=C)C(=C3CCC(O)=O)C; Cc1c2cc3[ n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O) cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3 C)C=C; CC1=C(CCC(O)=O)C2=CC3=[N+]4C(=Cc5 n6c(C=C7C(=C(C)C8=[N+]7[Ga+3]46[N]2C1=C8 )C=C)c(C)c5C=C)C(=C3CCC(O)=O)C |
PROTOPORPHYRIN IX CONTAINING GA |
| 22049 |  GIY |
2 | C22 H22 N6 O5 S2 | InChI=1S/C22H22N6O5S2/c1- 33-17-7-5-15(6-8-17)12-19 (22(29)26-30)28-14-16(25- 27-28)13-24-35(31,32)21-1 0-9-20(34-21)18-4-2-3-11- 23-18/h2-11,14,19,24,30H, 12-13H2,1H3,(H,26,29)/t19 -/m0/s1; VCCACZUFRCVVFN-IBGZPJMESA-N |
COc1ccc(cc1)CC(C(=O)NO)n2cc(nn2)CNS(=O)( =O)c3ccc(s3)c4ccccn4; COc1ccc(C[CH](n2cc (CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2)C(=O )NO)cc1; COc1ccc(cc1)C[C@@H](C(=O)NO)n2c c(nn2)CNS(=O)(=O)c3ccc(s3)c4ccccn4; COc1 ccc(C[C@H](n2cc(CN[S](=O)(=O)c3sc(cc3)c4 ccccn4)nn2)C(=O)NO)cc1; O=S(=O)(NCc1cn(n n1)C(Cc1ccc(OC)cc1)C(=O)NO)c1ccc(s1)c1nc ccc1 |
(2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide |
| 22050 |  GIZ CHEMBL5194936 |
1 | C24 H37 N5 O S | InChI=1S/C24H37N5OS/c1-5- 20-22(18(4)30)17(3)25-23( 20)21-16-31-24(26-21)29-1 3-11-28(12-14-29)15-19-7- 9-27(6-2)10-8-19/h16,19,2 5H,5-15H2,1-4H3; USUFEOMHJBVZED-UHFFFAOYSA-N |
CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN( CC4)CC)C)C(=O)C; CCN1CCC(CC1)CN2CCN(CC2) c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC |
1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
| 22051 |  GJ0 CHEMBL1628669 ZINC000013831242 |
4 | C16 H13 Br F2 N2 O4 | InChI=1S/C16H13BrF2N2O4/c 17-10-5-11(18)12(19)6-14( 10)25-9-3-1-8(2-4-9)21-15 (22)7-13(20)16(23)24/h1-6 ,13H,7,20H2,(H,21,22)(H,2 3,24)/t13-/m0/s1; BNYDDAAZMBUFRG-ZDUSSCGKSA-N |
N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1 )C(O)=O; c1cc(ccc1NC(=O)C[C@@H](C(=O)O)N )Oc2cc(c(cc2Br)F)F; N[C@@H](CC(=O)Nc1ccc (Oc2cc(F)c(F)cc2Br)cc1)C(O)=O; c1cc(ccc1 NC(=O)CC(C(=O)O)N)Oc2cc(c(cc2Br)F)F |
(2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid; WAY-213613 |
| 22052 |  GJ1 |
3 | C15 H17 N O3 | InChI=1S/C15H17NO3/c1-11- 8-14(18-2)6-7-15(11)19-10 -13-5-3-4-12(9-17)16-13/h 3-8,17H,9-10H2,1-2H3; GBTFLQPUSKDFPL-UHFFFAOYSA-N |
COc1ccc(OCc2cccc(CO)n2)c(C)c1; Cc1cc(ccc 1OCc2cccc(n2)CO)OC; c2(OCc1cccc(n1)CO)cc c(cc2C)OC |
{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol |
| 22053 |  GJ2 |
1 | C18 H17 F3 N2 O4 S2 | InChI=1S/C18H17F3N2O4S2/c 19-18(20,21)12-14-23-29(2 6,27)17-10-8-15(9-11-17)5 -4-13-22-28(24,25)16-6-2- 1-3-7-16/h1-3,6-11,22-23H ,12-14H2; YOHZJJJIFGXOPP-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)( =O)NCCC(F)(F)F; FC(F)(F)CCN[S](=O)(=O)c1 ccc(cc1)C#CCN[S](=O)(=O)c2ccccc2 |
4-[3-(phenylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide |
| 22054 |  GJ3 |
1 | C32 H49 N5 O7 | InChI=1S/C32H49N5O7/c1-21 (44-32(3,4)5)27(35-31(42) 43-20-24-14-10-7-11-15-24 )30(41)34-26(18-23-12-8-6 -9-13-23)29(40)36-37(22(2 )38)19-25-16-17-33-28(25) 39/h7,10-11,14-15,21,23,2 5-27H,6,8-9,12-13,16-20H2 ,1-5H3,(H,33,39)(H,34,41) (H,35,42)(H,36,40)/t21-,2 5+,26+,27+/m1/s1; LQGMWKMFHKDJKF-FBZFJNBBSA-N |
CC(C(C(=O)NC(CC1CCCCC1)C(=O)NN(CC2CCNC2= O)C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C; CC( C)(C)OC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(CC1 CCCCC1)C(=O)NN(CC1CCNC1=O)C(C)=O; C[CH]( OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[C H](CC2CCCCC2)C(=O)NN(C[CH]3CCNC3=O)C(C)= O; C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCc1ccc cc1)C(=O)N[C@@H](CC2CCCCC2)C(=O)NN(C[C@@ H]3CCNC3=O)C(C)=O; C[C@H]([C@@H](C(=O)N[ C@@H](CC1CCCCC1)C(=O)NN(C[C@@H]2CCNC2=O) C(=O)C)NC(=O)OCc3ccccc3)OC(C)(C)C |
benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name) |
| 22055 |  GJ4 |
1 | C21 H31 N5 O3 S | InChI=1S/C21H31N5O3S/c1-4 -15-18(14(3)28)13(2)24-19 (15)16-12-30-21(25-16)26- 9-8-22-11-17(26)20(29)23- 7-5-6-10-27/h12,17,22,24, 27H,4-11H2,1-3H3,(H,23,29 )/t17-/m1/s1; BZHIMJWVFLBIRF-QGZVFWFLSA-N |
CCc1c(c([nH]c1c2csc(n2)N3CCNC[C@@H]3C(=O )NCCCCO)C)C(=O)C; CCc1c(c([nH]c1c2csc(n2 )N3CCNCC3C(=O)NCCCCO)C)C(=O)C; CCc1c([nH ]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@@H]3C(=O )NCCCCO; CCc1c([nH]c(C)c1C(C)=O)c2csc(n2 )N3CCNC[CH]3C(=O)NCCCCO |
(2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide |
| 22056 |  GJ5 |
1 | C17 H19 F3 N2 O S | InChI=1S/C17H19F3N2OS/c1- 11(2)9-15-22-14(10-24-15) 12-3-5-13(6-4-12)16(23)21 -8-7-17(18,19)20/h3-6,10- 11H,7-9H2,1-2H3,(H,21,23); UBQMCDSKFNKYKI-UHFFFAOYSA-N |
CC(C)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F) F; CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F) (F)F |
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 22057 |  GJ6 CHEMBL6913 ZINC000011422450 |
1 | C13 H19 N O3 | InChI=1S/C13H19NO3/c1-7(2 )14-10-5-3-9-8(12(10)16)4 -6-11(15)13(9)17/h4,6-7,1 0,12,14-17H,3,5H2,1-2H3/t 10-,12-/m1/s1; VYPNBBZHLGJXPR-ZYHUDNBSSA-N |
CC(C)N[C@@H]1CCc2c(ccc(c2O)O)[C@H]1O; CC (C)N[CH]1CCc2c(O)c(O)ccc2[CH]1O; CC(C)N[ C@@H]1CCc2c(O)c(O)ccc2[C@H]1O; CC(C)NC1C Cc2c(ccc(c2O)O)C1O |
(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol |
| 22058 |  GJ7 |
1 | C26 H26 N4 O4 | InChI=1S/C26H26N4O4/c1-2- 24(31)30-16-17-14-18(30)1 5-29(17)23-13-12-22(25(27 )32)26(28-23)34-21-10-8-2 0(9-11-21)33-19-6-4-3-5-7 -19/h3-13,17-18H,2,14-16H 2,1H3,(H2,27,32)/t17-,18- /m0/s1; DQFJRLJIIQKNPY-ROUUACIJSA-N |
CCC(=O)N1C[CH]2C[CH]1CN2c3ccc(C(N)=O)c(O c4ccc(Oc5ccccc5)cc4)n3; CCC(=O)N1C[C@@H] 2C[C@H]1CN2c3ccc(C(N)=O)c(Oc4ccc(Oc5cccc c5)cc4)n3; CCC(=O)N1C2CC(C1)N(C2)c5ccc(C (N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5; CCC(=O) N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc 4)Oc5ccccc5)C(=O)N; CCC(=O)N1CC2CC1CN2c3 ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N |
2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide |
| 22059 |  GJ8 |
1 | C20 H18 F3 N3 O3 S2 | InChI=1S/C20H18F3N3O3S2/c 21-20(22,23)10-11-24-19(2 7)15-8-6-14(7-9-15)17-13- 30-18(26-17)12-25-31(28,2 9)16-4-2-1-3-5-16/h1-9,13 ,25H,10-12H2,(H,24,27); WQGRXKYBROIBEJ-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3) C(=O)NCCC(F)(F)F; FC(F)(F)CCNC(=O)c1ccc( cc1)c2csc(CN[S](=O)(=O)c3ccccc3)n2 |
4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 22060 |  GJ9 |
3 | C28 H38 N5 O4 S | InChI=1S/C28H37N5O4S/c1-2 0-17-21-5-2-9-29-25(21)26 (27(20)37-16-3-6-24(35)36 )32-11-4-10-31(14-15-32)1 8-22-19-38-28(30-22)33-12 -7-23(34)8-13-33/h2,5,9,1 7,19,23,34H,3-4,6-8,10-16 ,18H2,1H3,(H,35,36)/p+1; OROWGUJESLHVQL-UHFFFAOYSA-O |
Cc1cc2cccnc2c(c1OCCCC(=O)O)N3CCC[NH+](CC 3)Cc4csc(n4)N5CCC(CC5)O; O=C(O)CCCOc1c(C )cc2cccnc2c1N1CCC[NH+](CC1)Cc1csc(n1)N1C CC(O)CC1; Cc1cc2cccnc2c(N3CCC[NH+](CC3)C c4csc(n4)N5CCC(O)CC5)c1OCCCC(O)=O |
(1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium |
| 22061 |  GJA CHEMBL4241920 |
1 | C25 H24 N4 O4 | InChI=1S/C25H24N4O4/c1-2- 23(30)27-17-14-15-29(16-1 7)22-13-12-21(24(26)31)25 (28-22)33-20-10-8-19(9-11 -20)32-18-6-4-3-5-7-18/h2 -13,17H,1,14-16H2,(H2,26, 31)(H,27,30)/t17-/m0/s1; VMINNJIVIPLCSD-KRWDZBQOSA-N |
C=CC(=O)NC1CCN(C1)c2ccc(c(n2)Oc3ccc(cc3) Oc4ccccc4)C(=O)N; NC(=O)c1ccc(nc1Oc2ccc( Oc3ccccc3)cc2)N4CC[C@@H](C4)NC(=O)C=C; c 1(nc(ccc1C(N)=O)N2CC(NC([C@H]=C)=O)CC2)O c4ccc(Oc3ccccc3)cc4; NC(=O)c1ccc(nc1Oc2c cc(Oc3ccccc3)cc2)N4CC[CH](C4)NC(=O)C=C; C=CC(=O)N[C@H]1CCN(C1)c2ccc(c(n2)Oc3ccc( cc3)Oc4ccccc4)C(=O)N |
6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide |
| 22062 |  GJB ZINC000004344385 |
4 | C12 H12 N2 O3 | InChI=1S/C12H12N2O3/c15-1 0-8-11(16)14(12(17)13-10) 7-6-9-4-2-1-3-5-9/h1-5H,6 -8H2,(H,13,15,17); MHIKXQXNKSZIGX-UHFFFAOYSA-N |
c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O; O=C1CC(= O)N(CCc2ccccc2)C(=O)N1; O=C1N(C(=O)CC(=O )N1)CCc2ccccc2 |
1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione |
| 22063 |  GJC CHEMBL5186928 |
1 | C21 H28 N8 O2 S | InChI=1S/C21H28N8O2S/c1-4 -16-19(14(3)30)13(2)23-20 (16)17-12-32-21(24-17)28- 7-5-27(6-8-28)9-15-10-29( 26-25-15)11-18(22)31/h10, 12,23H,4-9,11H2,1-3H3,(H2 ,22,31); JHPCBFLUKPVPEM-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC 3)Cc4cn(CC(N)=O)nn4; CCc1c(c([nH]c1c2csc (n2)N3CCN(CC3)Cc4cn(nn4)CC(=O)N)C)C(=O)C |
2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide |
| 22064 |  GJD |
1 | C12 H18 N6 O2 | InChI=1S/C12H18N6O2/c1-2- 9(19)16-7-3-4-18(6-7)12-1 5-5-8(11(14)20)10(13)17-1 2/h5,7H,2-4,6H2,1H3,(H2,1 4,20)(H,16,19)(H2,13,15,1 7)/t7-/m0/s1; RFNYKYSEMVFRHS-ZETCQYMHSA-N |
c1(nc(N)c(C(=O)N)cn1)N2CC(NC(CC)=O)CC2; CCC(=O)NC1CCN(C1)c2ncc(c(n2)N)C(=O)N; CC C(=O)N[CH]1CCN(C1)c2ncc(C(N)=O)c(N)n2; C CC(=O)N[C@H]1CCN(C1)c2ncc(c(n2)N)C(=O)N; CCC(=O)N[C@H]1CCN(C1)c2ncc(C(N)=O)c(N)n 2 |
4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide |
| 22065 |  GJE |
1 | C10 H9 F3 N4 O | InChI=1S/C10H9F3N4O/c11-1 0(12,13)5-6-15-9(18)7-1-3 -8(4-2-7)16-17-14/h1-4H,5 -6H2,(H,15,18); PCHDVKCHSJFSLZ-UHFFFAOYSA-N |
FC(F)(F)CCNC(=O)c1ccc(cc1)N=[N+]=[N-]; c 1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-] |
4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide |
| 22066 |  GJF |
4 | C20 H24 N10 O10 P2 S2 | InChI=1S/C20H24N10O10P2S2 /c21-15-9-17(25-3-23-15)2 9(5-27-9)19-12(32)13-8(38 -19)2-36-42(34,44)40-14-1 1(31)7(1-35-41(33,43)39-1 3)37-20(14)30-6-28-10-16( 22)24-4-26-18(10)30/h3-8, 11-14,19-20,31-32H,1-2H2, (H,33,43)(H,34,44)(H2,21, 23,25)(H2,22,24,26)/t7-,8 -,11-,12-,13-,14-,19-,20- ,41+,42+/m1/s1; IZJJFUQKKZFVLH-ZPTFDBAZSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O [CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3 O)O[CH]5n6cnc7c(N)ncnc67; c1nc(c2c(n1)n( cn2)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4 )S)OC5n6cnc7c6ncnc7N)O)S)O)N; c1nc(c2c(n 1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P @@](=O)(O[C@@H]5[C@@H]([C@@H](CO[P@@](=O )(O4)S)O[C@H]5n6cnc7c6ncnc7N)O)S)O)N; Nc 1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@@](S)( =O)O[C@@H]5[C@H](O)[C@@H](CO[P@@](S)(=O) O[C@H]4[C@H]3O)O[C@H]5n6cnc7c(N)ncnc67 |
(1~{R},3~{S},6~{R},8~{R},9~{R},10~{S},12~{S},15~{R},17~{R},18~{R})-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecane-9,18-diol |
| 22067 |  GJG CHEMBL4279288 ZINC000012857452 |
1 | C12 H17 N3 O | InChI=1S/C12H17N3O/c13-12 (16)9-6-7-11(14-8-9)15-10 -4-2-1-3-5-10/h6-8,10H,1- 5H2,(H2,13,16)(H,14,15); DGZXVZSOZVPFDW-UHFFFAOYSA-N |
NC(=O)c1ccc(NC2CCCCC2)nc1; c1cc(ncc1C(=O )N)NC2CCCCC2; n1cc(ccc1NC2CCCCC2)C(=O)N |
6-(cyclohexylamino)pyridine-3-carboxamide |
| 22068 |  GJI CHEMBL5186561 |
2 | C16 H20 N4 O S | InChI=1S/C16H20N4OS/c1-10 -14-11(3-2-4-13(14)21)15( 18-10)12-9-22-16(19-12)20 -7-5-17-6-8-20/h9,17-18H, 2-8H2,1H3; HRDOIKMHSZXEOA-UHFFFAOYSA-N |
Cc1c2c(c([nH]1)c3csc(n3)N4CCNCC4)CCCC2=O ; Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNC C4 |
3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one |
| 22069 |  GJJ CHEMBL4290066 |
1 | C24 H30 N6 O3 | InChI=1S/C24H30N6O3/c1-5- 20(31)26-17-12-13-30(14-1 7)19-11-10-18(21(25)32)22 (28-19)27-16-8-6-15(7-9-1 6)23(33)29-24(2,3)4/h5-11 ,17H,1,12-14H2,2-4H3,(H2, 25,32)(H,26,31)(H,27,28)( H,29,33)/t17-/m0/s1; AYRMUHGKVWLINC-KRWDZBQOSA-N |
CC(C)(C)NC(=O)c1ccc(Nc2nc(ccc2C(N)=O)N3C C[CH](C3)NC(=O)C=C)cc1; CC(C)(C)NC(=O)c1 ccc(cc1)Nc2c(ccc(n2)N3CCC(C3)NC(=O)C=C)C (=O)N; CC(C)(C)NC(=O)c1ccc(Nc2nc(ccc2C(N )=O)N3CC[C@@H](C3)NC(=O)C=C)cc1; c2(Nc1c cc(C(NC(C)(C)C)=O)cc1)c(C(=O)N)ccc(n2)N3 CCC(NC(=O)\C=C)C3; CC(C)(C)NC(=O)c1ccc(c c1)Nc2c(ccc(n2)N3CC[C@@H](C3)NC(=O)C=C)C (=O)N |
6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide |
| 22070 |  GJK CHEMBL106509 ZINC000000008046 |
2 | C11 H12 O3 | InChI=1S/C11H12O3/c1-8(12 )3-4-9-5-6-10(13)11(7-9)1 4-2/h3-7,13H,1-2H3/b4-3+; AFWKBSMFXWNGRE-ONEGZZNKSA-N |
CC(=O)C=Cc1ccc(c(c1)OC)O; CC(=O)/C=C/c1c cc(c(c1)OC)O; COc1cc(C=CC(C)=O)ccc1O; CO c1cc(/C=C/C(C)=O)ccc1O |
(~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one |
| 22071 |  GJL CHEMBL3145388 |
1 | C16 H17 N3 O5 S | InChI=1S/C16H17N3O5S/c1-9 -10(15(20)11-8-17-19(2)16 (11)21)4-5-13(25(3,22)23) 14(9)12-6-7-24-18-12/h4-5 ,8,17H,6-7H2,1-3H3; BPPVUXSMLBXYGG-UHFFFAOYSA-N |
CN1NC=C(C1=O)C(=O)c2ccc(c(c2C)C3=NOCC3)[ S](C)(=O)=O; Cc1c(ccc(c1C2=NOCC2)S(=O)(= O)C)C(=O)C3=CNN(C3=O)C |
4-[3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonyl-phenyl]carbonyl-2-methyl-1~{H}-pyrazol-3-one |
| 22072 |  GJM |
9 | C6 H10 O3 | InChI=1S/C6H10O3/c7-6(8)5 -3-1-2-4-9-5/h5H,1-4H2,(H ,7,8)/t5-/m0/s1; MQAYFGXOFCEZRW-YFKPBYRVSA-N |
OC(=O)[CH]1CCCCO1; C1CCOC(C1)C(=O)O; C1C CO[C@@H](C1)C(=O)O; O=C(O)C1CCCCO1; OC(= O)[C@@H]1CCCCO1 |
(2S)-oxane-2-carboxylic acid |
| 22073 |  GJN CHEMBL5183240 |
4 | C16 H12 N4 | InChI=1S/C16H12N4/c17-16- 13(10-6-2-1-3-7-10)15-14( 19-20-16)11-8-4-5-9-12(11 )18-15/h1-9,18H,(H2,17,20 ); DHDZFJQQXROKLC-UHFFFAOYSA-N |
Nc1nnc2c([nH]c3ccccc23)c1c4ccccc4; Nc1nn c2c3ccccc3[NH]c2c1c1ccccc1; c1ccc(cc1)c2 c3c(c4ccccc4[nH]3)nnc2N |
4-phenyl-5H-pyridazino[4,3-b]indol-3-amine |
| 22074 |  GJO |
8 | C24 H20 N4 O7 S | InChI=1S/C24H20N4O7S/c1-1 4(29)25-16-5-3-4-15(12-16 )19-10-11-22(28(31)32)23- 20(19)13-21(26-23)24(30)2 7-36(33,34)18-8-6-17(35-2 )7-9-18/h3-13,26H,1-2H3,( H,25,29)(H,27,30); NWBVAQWYAKYBIW-UHFFFAOYSA-N |
COc1ccc(cc1)[S](=O)(=O)NC(=O)c2[nH]c3c(c 2)c(ccc3[N+]([O-])=O)c4cccc(NC(C)=O)c4; CC(=O)Nc1cccc(c1)c2ccc(c3c2cc([nH]3)C(=O )NS(=O)(=O)c4ccc(cc4)OC)[N+](=O)[O-] |
4-(3-acetamidophenyl)-N-(4-methoxyphenyl)sulfonyl-7-nitro-1H-indole-2-carboxamide |
| 22075 |  GJP CHEMBL158890 ZINC000008602789 |
4 | C10 H7 N O3 | InChI=1S/C10H7NO3/c12-9-6 -3-1-2-4-8(6)11-5-7(9)10( 13)14/h1-5H,(H,11,12)(H,1 3,14); ILNJBIQQAIIMEY-UHFFFAOYSA-N |
c12ccccc1c(c(cn2)C(O)=O)O; c1ccc2c(c1)c( c(cn2)C(=O)O)O; OC(=O)c1cnc2ccccc2c1O |
4-hydroxyquinoline-3-carboxylic acid |
| 22076 |  GJQ |
3 | C15 H12 Cl2 N6 O2 | InChI=1S/C15H12Cl2N6O2/c1 6-11-6-5-10(7-12(11)17)22 -13(20-14(18)21-15(22)19) 8-1-3-9(4-2-8)23(24)25/h1 -7,13H,(H4,18,19,20,21)/t 13-/m1/s1; GMVZOQXAUORTLW-CYBMUJFWSA-N |
c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl) Cl)N)N)[N+](=O)[O-]; NC1=N[C@H](N(C(=N1) N)c2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])= O; c1cc(ccc1C2N=C(N=C(N2c3ccc(c(c3)Cl)Cl )N)N)[N+](=O)[O-]; NC1=N[CH](N(C(=N1)N)c 2ccc(Cl)c(Cl)c2)c3ccc(cc3)[N+]([O-])=O |
(2~{R})-1-(3,4-dichlorophenyl)-2-(4-nitrophenyl)-2~{H}-1,3,5-triazine-4,6-diamine |
| 22077 |  GJR CHEMBL4757863 |
1 | C13 H11 Cl F2 N6 O | InChI=1S/C13H11ClF2N6O/c1 4-13-20-11(17)10-12(21-13 )22(6-19-10)4-7-3-8(1-2-1 8-7)23-5-9(15)16/h1-3,6,9 H,4-5H2,(H2,17,20,21); SYPCZSDQCBMLSV-UHFFFAOYSA-N |
Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)ccn3)cnc12; c1cnc(cc1OCC(F)F)Cn2cnc3c2nc(nc3N)Cl |
9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine |
| 22078 |  GJS ZINC000000226728 |
2 | C8 H6 O5 | InChI=1S/C8H6O5/c9-4-1-2- 5(7(10)11)6(3-4)8(12)13/h 1-3,9H,(H,10,11)(H,12,13); MWRVRCAFWBBXTL-UHFFFAOYSA-N |
c1cc(c(cc1O)C(=O)O)C(=O)O; c1(C(O)=O)c(C (O)=O)ccc(c1)O; OC(=O)c1ccc(O)cc1C(O)=O |
4-hydroxybenzene-1,2-dicarboxylic acid |
| 22079 |  GJT CHEMBL4468251 |
4 | C17 H26 N4 O5 | InChI=1S/C17H26N4O5/c1-4- 13(5-2)26-15-7-11(17(24)2 5)6-14(16(15)18-10(3)23)2 1-8-12(9-22)19-20-21/h7-8 ,13-16,22H,4-6,9H2,1-3H3, (H,18,23)(H,24,25)/t14-,1 5+,16+/m0/s1; IPVDZUUVRPUAMB-ARFHVFGLSA-N |
CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc (CO)nn2)C(O)=O; CCC(CC)O[C@@H]1C=C(C[C@@ H]([C@H]1NC(C)=O)n2cc(CO)nn2)C(O)=O; CCC (CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2 cc(nn2)CO)C(=O)O; CCC(CC)OC1C=C(CC(C1NC( =O)C)n2cc(nn2)CO)C(=O)O |
(3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
| 22080 |  GJU CHEMBL4762103 |
1 | C14 H13 Cl F2 N6 O | InChI=1S/C14H13ClF2N6O/c1 -7(9-4-8(2-3-19-9)24-5-10 (16)17)23-6-20-11-12(18)2 1-14(15)22-13(11)23/h2-4, 6-7,10H,5H2,1H3,(H2,18,21 ,22)/t7-/m0/s1; MMMUNMQNRGXDNZ-ZETCQYMHSA-N |
C[C@@H](c1cc(ccn1)OCC(F)F)n2cnc3c2nc(nc3 N)Cl; C[C@H](n1cnc2c(N)nc(Cl)nc12)c3cc(O CC(F)F)ccn3; C[CH](n1cnc2c(N)nc(Cl)nc12) c3cc(OCC(F)F)ccn3; CC(c1cc(ccn1)OCC(F)F) n2cnc3c2nc(nc3N)Cl |
9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine |
| 22081 |  GJV |
7 | C13 H21 N8 O3 | InChI=1S/C13H20N8O3/c14-1 0-7-11(19-4-18-10)21(5-20 -7)12-9(23)8(22)6(24-12)2 -1-3-17-13(15)16/h4-6,8-9 ,12,22-23H,1-3H2,(H2,14,1 8,19)(H4,15,16,17)/p+1/t6 -,8-,9-,12-/m1/s1; NGQAXJZDWQDSQY-WOUKDFQISA-O |
n1c(c2c(nc1)n(cn2)C3C(C(O)C(O3)CCCNC(\N) =[NH2+])O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@ @H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O) N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCCNC(=[ NH2+])N)O)O)N; NC(=[NH2+])NCCC[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; NC (=[NH2+])NCCC[CH]1O[CH]([CH](O)[CH]1O)n2 cnc3c(N)ncnc23 |
9-(7-{[amino(iminio)methyl]amino}-5,6,7-trideoxy-beta-D-ribo-heptofuranosyl)-9H-purin-6-amine |
| 22082 |  GJW CHEMBL571234 ZINC000043065590 |
1 | C16 H17 N3 O | InChI=1S/C16H17N3O/c20-16 -15-4-3-9-19(15)14-6-5-12 (10-13(14)17-16)11-18-7-1 -2-8-18/h3-6,9-10H,1-2,7- 8,11H2,(H,17,20); ZLYVTQGSZRQZLA-UHFFFAOYSA-N |
c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4; O=C1 Nc2cc(CN3CCCC3)ccc2n4cccc14; O=C3c4cccn4 c1c(cc(cc1)CN2CCCC2)N3 |
7-(pyrrolidin-1-ylmethyl)pyrrolo[1,2-a]quinoxalin-4(5H)-one |
| 22083 |  GJX |
4 | C24 H26 N4 O4 | InChI=1S/C24H26N4O4/c29-2 2-16-10-15-11-17(22)14-24 (12-15,13-16)23(30)27-8-6 -26(7-9-27)19-3-4-20(28(3 1)32)21-18(19)2-1-5-25-21 /h1-5,15-17H,6-14H2/t15-, 16-,17+,24-; RVHYZBKVITVCLB-XCEIDSMSSA-N |
c1cc2c(ccc(c2nc1)[N+](=O)[O-])N3CCN(CC3) C(=O)C45C[C@H]6CC(C4)C[C@@H](C5)C6=O; [O -][N+](=O)c1ccc(N2CCN(CC2)C(=O)C34CC5C[C H](C3)C(=O)[CH](C5)C4)c6cccnc16; c1cc2c( ccc(c2nc1)[N+](=O)[O-])N3CCN(CC3)C(=O)C4 5CC6CC(C4)C(=O)C(C6)C5; [O-][N+](=O)c1cc c(N2CCN(CC2)C(=O)C34CC5C[C@H](C3)C(=O)[C @@H](C5)C4)c6cccnc16 |
(1S,3R)-5-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]carbonyladamantan-2-one |
| 22084 |  GJY ZINC000064858374 |
12 | C19 H34 F O2 P | InChI=1S/C19H34FO2P/c1-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-23(20,21 )22-2/h4-5,7-8,10-11H,3,6 ,9,12-19H2,1-2H3/b5-4-,8- 7-,11-10-/t23-/m0/s1; MEHJVKGETWKOKY-SINQZMEQSA-N |
CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F; CCC=CCC =CCC=CCCCCCCCC[P](F)(=O)OC; CC\C=C/C/C=C \C\C=C/CCCCCCCC[P@](F)(=O)OC; O=P(OC)(F) CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC; CC/C= C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F |
methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate; Methyl alpha-Linolenyl Fluorophosphonate (MLnFP) |
| 22085 |  GJZ CHEMBL1179 ZINC000001482197 |
3 | C9 H11 N | InChI=1S/C9H11N/c10-9-6-8 (9)7-4-2-1-3-5-7/h1-5,8-9 H,6,10H2/t8-,9+/m0/s1; AELCINSCMGFISI-DTWKUNHWSA-N |
c1ccc(cc1)[C@@H]2C[C@H]2N; N[CH]1C[CH]1c 2ccccc2; c1cccc(c1)C2CC2N; c1ccc(cc1)C2C C2N; N[C@@H]1C[C@H]1c2ccccc2 |
(1R,2S)-2-phenylcyclopropanamine |
| 22086 |  GK0 CHEMBL4086308 ZINC000584905558 |
1 | C14 H12 N2 O7 | InChI=1S/C14H12N2O7/c17-8 -1-6(2-9(18)12(8)21)5-15- 16-14(23)7-3-10(19)13(22) 11(20)4-7/h1-5,17-22H,(H, 16,23)/b15-5+; PYWCMFFRTOJYQJ-PJQLUOCWSA-N |
c1c(cc(c(c1O)O)O)C=NNC(=O)c2cc(c(c(c2)O) O)O; c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c( c(c2)O)O)O; Oc1cc(C=NNC(=O)c2cc(O)c(O)c( O)c2)cc(O)c1O; Oc1cc(/C=N/NC(=O)c2cc(O)c (O)c(O)c2)cc(O)c1O |
3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide |
| 22087 |  GK1 CHEMBL237127 DB07832 ZINC000016052770 |
1 | C20 H15 N3 O2 S | InChI=1S/C20H15N3O2S/c1-1 2-2-4-14(25)9-17(12)22-16 -6-7-21-18-8-13(3-5-15(16 )18)19-11-26-20(10-24)23- 19/h2-11,25H,1H3,(H,21,22 ); VKQPTVJDZIILPG-UHFFFAOYSA-N |
O=Cc4nc(c3ccc2c(nccc2Nc1cc(O)ccc1C)c3)cs 4; Cc1ccc(O)cc1Nc2ccnc3cc(ccc23)c4csc(C= O)n4; Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n 4)C=O)O |
4-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-7-yl}-1,3-thiazole-2-carbaldehyde |
| 22088 |  GK2 CHEMBL305170 ZINC000169987523 |
7 | C9 H19 B N2 O3 | InChI=1S/C9H19BN2O3/c1-6( 2)8(11)9(13)12-5-3-4-7(12 )10(14)15/h6-8,14-15H,3-5 ,11H2,1-2H3/t7-,8+/m0/s1; FKCMADOPPWWGNZ-JGVFFNPUSA-N |
CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O; B(C1CC CN1C(=O)C(C(C)C)N)(O)O; CC(C)[C@@H](N)C( =O)N1CCC[C@H]1B(O)O; B([C@@H]1CCCN1C(=O) [C@@H](C(C)C)N)(O)O |
[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid |
| 22089 |  GK3 CHEMBL270164 DB07833 ZINC000029130381 |
1 | C24 H18 N4 O2 | InChI=1S/C24H18N4O2/c1-15 -6-7-20(24-28-27-16(2)30- 24)13-22(15)18-8-10-19(11 -9-18)23(29)26-21-5-3-4-1 7(12-21)14-25/h3-13H,1-2H 3,(H,26,29); PMMLSQFPBFKLHH-UHFFFAOYSA-N |
Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N) c4nnc(o4)C; Cc1oc(nn1)c2ccc(C)c(c2)c3ccc (cc3)C(=O)Nc4cccc(c4)C#N; N#Cc1cccc(c1)N C(=O)c4ccc(c3cc(c2nnc(o2)C)ccc3C)cc4 |
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide |
| 22090 |  GK4 CHEMBL273158 DB07834 ZINC000016052768 |
1 | C21 H21 N3 O2 | InChI=1S/C21H21N3O2/c1-13 -3-6-18(21-24-23-14(2)26- 21)11-19(13)16-7-9-17(10- 8-16)20(25)22-12-15-4-5-1 5/h3,6-11,15H,4-5,12H2,1- 2H3,(H,22,25); FOHZGCHKLPIBBX-UHFFFAOYSA-N |
Cc1oc(nn1)c2ccc(C)c(c2)c3ccc(cc3)C(=O)NC C4CC4; Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3) c4nnc(o4)C; O=C(NCC1CC1)c4ccc(c3cc(c2nnc (o2)C)ccc3C)cc4 |
N-(cyclopropylmethyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide |
| 22091 |  GK5 CHEMBL478649 DB07835 ZINC000003961852 |
1 | C22 H24 N2 O2 | InChI=1S/C22H24N2O2/c1-14 -2-5-18(22(26)24-19-10-11 -19)12-20(14)16-6-8-17(9- 7-16)21(25)23-13-15-3-4-1 5/h2,5-9,12,15,19H,3-4,10 -11,13H2,1H3,(H,23,25)(H, 24,26); BOPSUAHGQHFKGG-UHFFFAOYSA-N |
Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC 4CC4; O=C(c3cc(c2ccc(C(=O)NCC1CC1)cc2)c( cc3)C)NC4CC4 |
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide; N3-cyclopropyl-N4'-(cyclopropylmethyl)-6-methyl-3,4'-biphenyldicarboxamide |
| 22092 |  GK6 CHEMBL476351 ZINC000020148989 |
1 | C28 H30 N4 O3 | InChI=1S/C28H30N4O3/c1-19 -2-9-24(31-28(34)23-10-11 -29-26(16-23)32-12-14-35- 15-13-32)17-25(19)21-5-7- 22(8-6-21)27(33)30-18-20- 3-4-20/h2,5-11,16-17,20H, 3-4,12-15,18H2,1H3,(H,30, 33)(H,31,34); BOQNSWFZUHQNRG-UHFFFAOYSA-N |
Cc1ccc(NC(=O)c2ccnc(c2)N3CCOCC3)cc1c4ccc (cc4)C(=O)NCC5CC5; Cc1ccc(cc1c2ccc(cc2)C (=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5; O= C(NCC1CC1)c2ccc(cc2)c3c(ccc(c3)NC(=O)c4c c(ncc4)N5CCOCC5)C |
N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide; N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-3-biphenylyl)-2-(4-morpholinyl)-4-pyridinecarboxamide |
| 22093 |  GK7 |
1 | C40 H55 N7 O10 S | InChI=1S/C40H55N7O10S/c1- 23-34(43-29-19-25(55-6)15 -16-27(29)41-23)57-26-20- 30-32(48)45-40(36(51)46-5 8(53,54)39(5)17-18-39)21- 24(40)13-11-9-8-10-12-14- 28(35(50)47(30)22-26)42-3 3(49)31(38(2,3)4)44-37(52 )56-7/h11,13,15-16,19,24, 26,28,30-31H,8-10,12,14,1 7-18,20-22H2,1-7H3,(H,42, 49)(H,44,52)(H,45,48)(H,4 6,51)/b13-11-/t24-,26-,28 +,30+,31-,40-/m1/s1; KNHVGXZTFPBTRE-VQPXEURISA-N |
COC(=O)N[C@H](C(=O)N[C@H]1CCCCC\C=C/[C@@ H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc 4nc5cc(OC)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C )CC6)C(C)(C)C; Cc1c(nc2cc(ccc2n1)OC)OC3C C4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O) C(C(C)(C)C)NC(=O)OC)C(=O)NS(=O)(=O)C6(CC 6)C; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H] 4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C( =O)N4C3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)C( =O)NS(=O)(=O)C6(CC6)C; COC(=O)N[CH](C(=O )N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH]3C[C H](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O)N[S ](=O)(=O)C6(C)CC6)C(C)(C)C; c6(OC1CC2C(= O)NC3(C(C=CCCCCCC(C(N2C1)=O)NC(=O)C(NC(O C)=O)C(C)(C)C)C3)C(NS(C4(CC4)C)(=O)=O)=O )nc5cc(OC)ccc5nc6C |
methyl [(2S)-1-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamate |
| 22094 |  GK8 |
1 | C6 H13 As N3 O4 | InChI=1S/C6H14AsN3O4/c8-5 (3-14-7(11,12)13)1-6-2-9- 4-10-6/h2,4-5,7,11-13H,1, 3,8H2,(H,9,10)/t5-/m0/s1; ULOXOLOOGPGSSX-YFKPBYRVSA-N |
c1c([nH]cn1)CC(CO[As](O)(O)O)N; N[CH](CO [As](O)(O)O)Cc1[nH]cnc1; n1cc(nc1)CC(N)C O[As](O)(O)O; c1c([nH]cn1)C[C@@H](CO[As] (O)(O)O)N; N[C@H](CO[As](O)(O)O)Cc1[nH]c nc1 |
{[(2S)-2-amino-3-(1H-imidazol-5-yl)propyl]oxy}(trihydroxy)-lambda~5~-arsanyl |
| 22095 |  GK9 CHEMBL4095025 |
2 | C16 H14 Cl N3 O2 | InChI=1S/C16H14ClN3O2/c1- 21-11-4-5-13-10(9-11)3-2- 7-20(13)15-14-12(6-8-22-1 4)18-16(17)19-15/h4-6,8-9 H,2-3,7H2,1H3; OHDPJCAMZXLYKM-UHFFFAOYSA-N |
c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4; COc1ccc2c(c1)CCCN2c3c4c(cco4)nc(n3)Cl; COc1ccc2N(CCCc2c1)c3nc(Cl)nc4ccoc34 |
1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline |
| 22096 |  GKA |
2 | C40 H55 N7 O9 S | InChI=1S/C40H55N7O9S/c1-2 3-35(44-30-19-26(55-7)15- 16-28(30)41-23)56-27-20-3 1-33(49)45-40(37(52)46-57 (53,54)39(6)17-18-39)21-2 5(40)13-11-9-8-10-12-14-2 9(36(51)47(31)22-27)43-34 (50)32(38(3,4)5)42-24(2)4 8/h11,13,15-16,19,25,27,2 9,31-32H,8-10,12,14,17-18 ,20-22H2,1-7H3,(H,42,48)( H,43,50)(H,45,49)(H,46,52 )/b13-11-/t25-,27-,29+,31 +,32-,40-/m1/s1; YOHPIODWEANJQZ-UYLSUIKTSA-N |
Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C =CCCCCCC(C(=O)N4C3)NC(=O)C(C(C)(C)C)NC(= O)C)C(=O)NS(=O)(=O)C6(CC6)C; Cc1c(nc2cc( ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[ C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)[C @H](C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(C C6)C; c2(nc1cc(OC)ccc1nc2C)OC3CN5C(C3)C( NC6(C(NS(C4(C)CC4)(=O)=O)=O)C(C=CCCCCCC( C5=O)NC(C(NC(C)=O)C(C)(C)C)=O)C6)=O; COc 1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](C CCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O )C6(C)CC6)NC(=O)[CH](NC(C)=O)C(C)(C)C)nc 2c1; COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3 )C(=O)[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4= O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)[C@@H] (NC(C)=O)C(C)(C)C)nc2c1 |
(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide; P4-P5-2 (AJ-67) |
| 22097 |  GKB CHEMBL4558430 |
2 | C25 H21 F3 N6 O | InChI=1S/C25H21F3N6O/c1-1 5-12-34(14-31-15)23-8-19( 25(26,27)28)7-21(9-23)33- 24(35)17-3-2-16-5-20(6-18 (16)4-17)32-22-10-29-13-3 0-11-22/h2-4,7-14,20,32H, 5-6H2,1H3,(H,33,35)/t20-/ m1/s1; XFLAQLCDMJRPFH-HXUWFJFHSA-N |
Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[ C@@H](C4)Nc5cncnc5)C(F)(F)F; Cc1cn(cn1)c 2cc(NC(=O)c3ccc4C[CH](Cc4c3)Nc5cncnc5)cc (c2)C(F)(F)F; Cc1cn(cn1)c2cc(cc(c2)NC(=O )c3ccc4c(c3)CC(C4)Nc5cncnc5)C(F)(F)F; Cc 1cn(cn1)c2cc(NC(=O)c3ccc4C[C@H](Cc4c3)Nc 5cncnc5)cc(c2)C(F)(F)F |
(2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide |
| 22098 |  GKC ZINC000025725098 |
1 | C19 H34 O11 | InChI=1S/C19H34O11/c20-6- 10-12(22)13(23)15(25)19(2 8-10)30-17-11(7-21)29-18( 16(26)14(17)24)27-8-9-4-2 -1-3-5-9/h9-26H,1-8H2/t10 -,11-,12-,13+,14-,15-,16- ,17-,18-,19-/m1/s1; BBUKPWNPDDHXDR-CRINDFDSSA-N |
C1CCC(CC1)CO[C@H]2[C@@H]([C@H]([C@@H]([C @H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C @H](O3)CO)O)O)O)O)O; OC[CH]1O[CH](O[CH]2 [CH](O)[CH](O)[CH](OCC3CCCCC3)O[CH]2CO)[ CH](O)[CH](O)[CH]1O; C1CCC(CC1)COC2C(C(C (C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O; OC[ C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H ](OCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O )[C@@H]1O |
(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-6-(cyclohexylmethoxy)-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| 22099 |  GKD ZINC000058631614 |
2 | C16 H23 N5 O16 P2 | InChI=1S/C16H23N5O16P2/c1 7-16-19-12-6(13(28)20-16) 18-3-21(12)14-10(26)8(24) 5(34-14)2-33-38(29,30)37- 39(31,32)36-15-11(27)9(25 )7(23)4(1-22)35-15/h3-5,8 -11,14-15,22,24-27H,1-2H2 ,(H,29,30)(H,31,32)(H3,17 ,19,20,28)/t4-,5+,8+,9-,1 0+,11-,14+,15+/m0/s1; QZZKIVADHWVJFF-UFFCYROPSA-N |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@ ](O)(=O)O[P@](O)(=O)O[C@H]4O[C@@H](CO)C( =O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; c1 nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4 C(C(C(=O)C(O4)CO)O)O)O)O)N=C(NC2=O)N; c1 nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P @@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@ H](C(=O)[C@@H](O4)CO)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[CH]4O[CH](CO)C(=O)[CH ](O)[CH]4O)[CH](O)[CH]3O; O=C1C(O)C(O)C( OC1CO)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N =C(N)NC2=O)C(O)C4O |
GUANOSINE 5'-DIPHOSPHATE-4-KETO-BETA-L-GULOSE |
| 22100 |  GKE ZINC000030730058 |
2 | C16 H25 N5 O16 P2 | InChI=1S/C16H25N5O16P2/c1 7-16-19-12-6(13(28)20-16) 18-3-21(12)14-10(26)8(24) 5(34-14)2-33-38(29,30)37- 39(31,32)36-15-11(27)9(25 )7(23)4(1-22)35-15/h3-5,7 -11,14-15,22-27H,1-2H2,(H ,29,30)(H,31,32)(H3,17,19 ,20,28)/t4-,5+,7+,8+,9-,1 0+,11-,14+,15+/m0/s1; MVMSCBBUIHUTGJ-HVMPVDAASA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([ C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(N C2=O)N; O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(= O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4 O; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)( O)OC4C(C(C(C(O4)CO)O)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[CH]4O[CH](CO)[CH](O)[ CH](O)[CH]4O)[CH](O)[CH]3O; NC1=Nc2n(cnc 2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@ ](O)(=O)O[C@H]4O[C@@H](CO)[C@@H](O)[C@H] (O)[C@@H]4O)[C@@H](O)[C@H]3O |
GUANOSINE 5'-DIPHOSPHATE-BETA-L-GULOSE |
| 22101 |  GKF ZINC000100720200 |
1 | C8 H5 I N2 O | InChI=1S/C8H5IN2O/c9-8-6- 3-1-2-5(4-12)7(6)10-11-8/ h1-4H,(H,10,11); QWWAONJINWEHJL-UHFFFAOYSA-N |
c1cc(c2c(c1)c(n[nH]2)I)C=O; Ic1n[nH]c2c( C=O)cccc12 |
3-iodanyl-1~{H}-indazole-7-carbaldehyde |
| 22102 |  GKG |
2 | C37 H47 F3 N6 O9 S | InChI=1S/C37H47F3N6O9S/c1 -21-30(42-27-17-23(53-5)1 3-14-25(27)41-21)54-24-18 -28-29(47)44-36(32(49)45- 56(51,52)35(4)15-16-35)19 -22(36)11-9-7-6-8-10-12-2 6(31(48)46(28)20-24)43-33 (50)55-34(2,3)37(38,39)40 /h9,11,13-14,17,22,24,26, 28H,6-8,10,12,15-16,18-20 H2,1-5H3,(H,43,50)(H,44,4 7)(H,45,49)/b11-9-/t22-,2 4-,26+,28+,36-/m1/s1; ZOQBCVXDXFPSSL-DDAYHPHASA-N |
COc1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH ](CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O) (=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)nc2c 1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(C C5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C)(C)C(F) (F)F)C(=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc (C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCC CC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O) (=O)C6(C)CC6)NC(=O)OC(C)(C)C(F)(F)F)nc2c 1; Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C (=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O )N4C3)NC(=O)OC(C)(C)C(F)(F)F)C(=O)NS(=O) (=O)C6(CC6)C; C2CCCC=CC6C(NC(C1CC(CN1C(C (C2)NC(=O)OC(C)(C(F)(F)F)C)=O)Oc4nc3cc(O C)ccc3nc4C)=O)(C(NS(C5(CC5)C)(=O)=O)=O)C 6 |
1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate; P4-1 (AJ-71) |
| 22103 |  GKH |
2 | C23 H20 N8 O8 S3 | InChI=1S/C23H20N8O8S3/c24 -20-17-21(26-8-25-20)31(9 -27-17)23-19(34)18(33)13( 39-23)6-38-42(36,37)30-22 (35)12-7-40-15(29-12)3-4- 16-28-11-2-1-10(32)5-14(1 1)41-16/h1-5,7-9,13,18-19 ,23,32-34H,6H2,(H,30,35)( H2,24,25,26)/b4-3+/t13-,1 8-,19-,23-/m1/s1; JXXQGJFRVFVJAK-AWGXURSZSA-N |
c1cc2c(cc1O)sc(n2)C=Cc3nc(cs3)C(=O)NS(=O )(=O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O; Nc 1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O )NC(=O)c4csc(/C=C/c5sc6cc(O)ccc6n5)n4)[C @@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[C H](CO[S](=O)(=O)NC(=O)c4csc(C=Cc5sc6cc(O )ccc6n5)n4)[CH](O)[CH]3O; c1cc2c(cc1O)sc (n2)/C=C/c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H ]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O )O |
[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[[2-[(~{E})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)ethenyl]-1,3-thiazol-4-yl]carbonyl]sulfamate |
| 22104 |  GKI CHEMBL5172147 |
4 | C19 H28 N4 O S | InChI=1S/C19H28N4OS/c1-12 (2)5-6-15-17(14(4)24)13(3 )21-18(15)16-11-25-19(22- 16)23-9-7-20-8-10-23/h11- 12,20-21H,5-10H2,1-4H3; FEVXGFVVUGZYTO-UHFFFAOYSA-N |
Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)CCC(C)C )C(=O)C; CC(C)CCc1c([nH]c(C)c1C(C)=O)c2c sc(n2)N3CCNCC3 |
1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
| 22105 |  GKJ |
1 | C38 H52 N6 O9 S | InChI=1S/C38H52N6O9S/c1-5 -6-12-19-52-36(48)41-29-1 4-11-9-7-8-10-13-25-22-38 (25,35(47)43-54(49,50)37( 3)17-18-37)42-32(45)31-21 -27(23-44(31)34(29)46)53- 33-24(2)39-28-16-15-26(51 -4)20-30(28)40-33/h10,13, 15-16,20,25,27,29,31H,5-9 ,11-12,14,17-19,21-23H2,1 -4H3,(H,41,48)(H,42,45)(H ,43,47)/b13-10-/t25-,27-, 29+,31+,38-/m1/s1; XMVGSOUFSMLCKC-OJHKTYPMSA-N |
CCCCCOC(=O)N[C@H]1CCCCC\C=C/[C@@H]2C[C@] 2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4nc5cc(O C)ccc5nc4C)C(=O)N[S](=O)(=O)C6(C)CC6; CC CCCOC(=O)NC1CCCCCC=CC2CC2(NC(=O)C3CC(CN3 C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)( =O)C6(CC6)C; CCCCCOC(=O)N[C@H]1CCCCC/C=C \[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1 =O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O )C6(CC6)C; c2(c(C)nc1c(cc(cc1)OC)n2)OC4C C5C(NC6(C(NS(C3(CC3)C)(=O)=O)=O)C(C=CCCC CCC(C(N5C4)=O)NC(=O)OCCCCC)C6)=O; CCCCCO C(=O)N[CH]1CCCCCC=C[CH]2C[C]2(NC(=O)[CH] 3C[CH](CN3C1=O)Oc4nc5cc(OC)ccc5nc4C)C(=O )N[S](=O)(=O)C6(C)CC6 |
pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate; P4-2 (JZ01-19) |
| 22106 |  GKK CHEMBL558664 ZINC000043066029 |
2 | C20 H19 Cl F3 N3 | InChI=1S/C20H19ClF3N3/c1- 26-9-8-17(13-26)27(16-7-6 -14(11-25)19(21)10-16)12- 15-4-2-3-5-18(15)20(22,23 )24/h2-7,10,17H,8-9,12-13 H2,1H3/t17-/m0/s1; HMOAZJHSXXENHE-KRWDZBQOSA-N |
CN1CCC(C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3 )Cl)C#N; C[N@]1CC[C@@H](C1)N(Cc2ccccc2C( F)(F)F)c3ccc(c(c3)Cl)C#N; CN1CC[CH](C1)N (Cc2ccccc2C(F)(F)F)c3ccc(C#N)c(Cl)c3; FC (F)(F)c1c(cccc1)CN(c2ccc(C#N)c(Cl)c2)C3C CN(C)C3; CN1CC[C@@H](C1)N(Cc2ccccc2C(F)( F)F)c3ccc(C#N)c(Cl)c3 |
2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile |
| 22107 |  GKL ZINC000098208939 |
0 | C12 H26 N2 O3 | InChI=1S/C12H26N2O3/c1-7( 2)5-9(13)10(15)6-14-11(8( 3)4)12(16)17/h7-11,14-15H ,5-6,13H2,1-4H3,(H,16,17) /t9-,10-,11-/m0/s1; OWNBKWSEIUHSQG-DCAQKATOSA-N |
CC(C)C[C@@H]([C@H](CN[C@@H](C(C)C)C(=O)O )O)N; CC(C)CC(C(CNC(C(C)C)C(=O)O)O)N; CC (C)C[CH](N)[CH](O)CN[CH](C(C)C)C(O)=O; C C(C)C[C@H](N)[C@@H](O)CN[C@@H](C(C)C)C(O )=O; O=C(O)C(NCC(O)C(N)CC(C)C)C(C)C |
N-[(2S,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-valine |
| 22108 |  GKM |
2 | C39 H52 N6 O9 S | InChI=1S/C39H52N6O9S/c1-2 4-33(41-30-20-26(52-4)14- 15-28(30)40-24)53-27-21-3 1-32(46)43-39(35(48)44-55 (50,51)38(3)18-19-38)22-2 5(39)12-8-6-5-7-9-13-29(3 4(47)45(31)23-27)42-36(49 )54-37(2)16-10-11-17-37/h 8,12,14-15,20,25,27,29,31 H,5-7,9-11,13,16-19,21-23 H2,1-4H3,(H,42,49)(H,43,4 6)(H,44,48)/b12-8-/t25-,2 7-,29+,31+,39-/m1/s1; BFDKJVNQRNACCV-VDSHMUBGSA-N |
COc1ccc2nc(C)c(O[C@@H]3C[C@@H]4N(C3)C(=O )[C@H](CCCCC\C=C/[C@@H]5C[C@]5(NC4=O)C(= O)N[S](=O)(=O)C6(C)CC6)NC(=O)OC7(C)CCCC7 )nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O) NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC C6)C)C(=O)NS(=O)(=O)C7(CC7)C; Cc1c(nc2cc (ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C [C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O C6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C; C4CC (C(N6CC(Oc2nc1cc(OC)ccc1nc2C)CC6C(NC3(C( C3)C=CCCC4)C(NS(C5(C)CC5)(=O)=O)=O)=O)=O )NC(OC7(C)CCCC7)=O; COc1ccc2nc(C)c(O[CH] 3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[CH]5C[C]5 (NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6)NC(=O)O C7(C)CCCC7)nc2c1 |
1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate; P4-3(AJ-74) |
| 22109 |  GKN CHEMBL4074486 ZINC000008906795 |
1 | C20 H23 N O3 | InChI=1S/C20H23NO3/c1-20( 2,3)16-9-7-15(8-10-16)19( 24)21-17-11-4-14(5-12-17) 6-13-18(22)23/h4-5,7-12H, 6,13H2,1-3H3,(H,21,24)(H, 22,23); IMRDLYFNSFXCTK-UHFFFAOYSA-N |
CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O )O; CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(CCC(O) =O)cc2 |
3-[4-[(4-~{tert}-butylphenyl)carbonylamino]phenyl]propanoic acid |
| 22110 |  GKO |
10 | C22 H27 N7 O2 | InChI=1S/C22H27N7O2/c1-3- 4-5-10-24-21(30)17-6-8-18 (9-7-17)29-14-20(25-16-29 )26-22(31)19-13-28(15-23) 12-11-27(19)2/h1,6-9,14-1 6,19,23H,4-5,10-13H2,2H3, (H,24,30)(H,26,31); AXJVUUFDFGBJHA-UHFFFAOYSA-N |
CN1CCN(C[C@H]1C(=O)Nc2cn(cn2)c3ccc(cc3)C (=O)NCCCC#C)C=N; CN1CCN(C[C@@H]1C(=O)Nc2 cn(cn2)c3ccc(cc3)C(=O)NCCCC#C)C=N; CN1CC N(C[CH]1C(=O)Nc2cn(cn2)c3ccc(cc3)C(=O)NC CCC#C)C=N; CN1CCN(CC1C(=O)Nc2cn(cn2)c3cc c(cc3)C(=O)NCCCC#C)C=N |
(2~{S})-4-(iminomethyl)-1-methyl-~{N}-[1-[4-(pent-4-ynylcarbamoyl)phenyl]imidazol-4-yl]piperazine-2-carboxamide |
| 22111 |  GKP CHEMBL282731 ZINC000004098726 |
2 | C22 H18 O12 | InChI=1S/C22H18O12/c23-13 -5-1-11(9-15(13)25)3-7-17 (27)33-19(21(29)30)20(22( 31)32)34-18(28)8-4-12-2-6 -14(24)16(26)10-12/h1-10, 19-20,23-26H,(H,29,30)(H, 31,32)/b7-3+,8-4+/t19-,20 -/m1/s1; YDDGKXBLOXEEMN-IABMMNSOSA-N |
c1cc(c(cc1C=CC(=O)OC(C(C(=O)O)OC(=O)C=Cc 2ccc(c(c2)O)O)C(=O)O)O)O; c1c(cc(c(c1)O) O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O) /C=C/c2cc(c(cc2)O)O)C(=O)O; OC(=O)[CH](O C(=O)C=Cc1ccc(O)c(O)c1)[CH](OC(=O)C=Cc2c cc(O)c(O)c2)C(O)=O; c1c(cc(c(c1)O)O)[C@H ]=CC(=O)OC(C(=O)O)C(OC([C@H]=[C@H]c2ccc( c(c2)O)O)=O)C(=O)O; OC(=O)[C@H](OC(=O)\C =C\c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c2cc c(O)c(O)c2)C(O)=O |
(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid |
| 22112 |  GKQ CHEMBL4289401 ZINC000064761151 |
1 | C21 H23 Cl N4 O | InChI=1S/C21H23ClN4O/c22- 18-5-3-4-16(12-18)14-23-2 1(27)17-6-7-20-19(13-17)2 4-15-26(20)11-10-25-8-1-2 -9-25/h3-7,12-13,15H,1-2, 8-11,14H2,(H,23,27); KDORBCZWJTXUAC-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4 CCCC4; Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4 )cnc3c2)c1 |
~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide |
| 22113 |  GKR |
10 | C6 H8 O8 | InChI=1S/C6H10O8/c7-1(3(9 )5(11)12)2(8)4(10)6(13)14 /h1-4,7-10H,(H,11,12)(H,1 3,14)/p-2/t1-,2-,3-,4+/m0 /s1; DSLZVSRJTYRBFB-LLEIAEIESA-L |
O[C@@H]([C@H](O)[C@H](O)C([O-])=O)[C@@H] (O)C([O-])=O; [C@H]([C@@H]([C@@H](C(=O)[ O-])O)O)([C@H](C(=O)[O-])O)O; [O-]C(=O)C (O)C(O)C(O)C(O)C([O-])=O; C(C(C(C(=O)[O- ])O)O)(C(C(=O)[O-])O)O; O[CH]([CH](O)[CH ](O)C([O-])=O)[CH](O)C([O-])=O |
D-GLUCARATE |
| 22114 |  GKS |
4 | C11 H19 N4 O14 P3 | InChI=1S/C11H19N4O14P3/c1 2-11-14-6(9(13-4-16)10(18 )15-11)1-5-2-7(17)8(27-5) 3-26-31(22,23)29-32(24,25 )28-30(19,20)21/h4-5,7-8, 17H,1-3H2,(H,13,16)(H,22, 23)(H,24,25)(H2,19,20,21) (H3,12,14,15,18)/t5-,7-,8 +/m0/s1; SEYTZONDTLWHRH-APQOSEDMSA-N |
NC1=NC(=C(NC=O)C(=O)N1)C[C@H]2C[C@H](O)[ C@@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)= O)O2; NC1=NC(=C(NC=O)C(=O)N1)C[CH]2C[CH] (O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O )=O)O2; C1[C@@H](O[C@@H]([C@H]1O)COP(=O) (O)OP(=O)(O)OP(=O)(O)O)CC2=C(C(=O)NC(=N2 )N)NC=O; C1C(OC(C1O)COP(=O)(O)OP(=O)(O)O P(=O)(O)O)CC2=C(C(=O)NC(=N2)N)NC=O; P(=O )(O)(O)OP(OP(=O)(O)OCC1OC(CC1O)CC2=C(C(N C(=N2)N)=O)NC=O)(O)=O |
1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol |
| 22115 |  GKT CHEMBL4283481 |
3 | C21 H23 I N4 O | InChI=1S/C21H23IN4O/c1-14 -5-6-15(11-17(14)22)21(27 )23-16-7-8-18-19(12-16)25 -20(24-18)13-26-9-3-2-4-1 0-26/h5-8,11-12H,2-4,9-10 ,13H2,1H3,(H,23,27)(H,24, 25); VMKBJIIRNPWSSI-UHFFFAOYSA-N |
Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN 4CCCCC4; Cc1ccc(cc1I)C(=O)Nc2ccc3nc(CN4C CCCC4)[nH]c3c2 |
3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide |
| 22116 |  GKU ZINC000000394355 |
4 | C10 H15 N O | InChI=1S/C10H15NO/c1-8(11 -2)7-9-3-5-10(12)6-4-9/h3 -6,8,11-12H,7H2,1-2H3/t8- /m1/s1; SBUQZKJEOOQSBV-MRVPVSSYSA-N |
CN[C@H](C)Cc1ccc(O)cc1; C[C@H](Cc1ccc(cc 1)O)NC; CC(Cc1ccc(cc1)O)NC; CN[CH](C)Cc1 ccc(O)cc1 |
4-[(2R)-2-(methylamino)propyl]phenol |
| 22117 |  GKW CHEMBL2170177 ZINC000043178454 |
8 | C17 H16 N2 O3 | InChI=1S/C17H16N2O3/c1-22 -15-6-2-12(3-7-15)11-19-9 -8-13-4-5-14(10-16(13)19) 17(20)18-21/h2-10,21H,11H 2,1H3,(H,18,20); AJRGHIGYPXNABY-UHFFFAOYSA-N |
COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO; COc 1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 |
1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide |
| 22118 |  GKX |
8 | C20 H29 N O3 | InChI=1S/C20H29NO3/c22-19 (14-8-7-11-16-9-3-1-4-10- 16)21-18(20(23)24)15-17-1 2-5-2-6-13-17/h2,5-6,12-1 3,16,18H,1,3-4,7-11,14-15 H2,(H,21,22)(H,23,24)/t18 -/m0/s1; HMRCCMCZAAWOCJ-SFHVURJKSA-N |
c1ccc(cc1)CC(C(=O)O)NC(=O)CCCCC2CCCCC2; c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCCCC2CCC CC2; OC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCC2C CCCC2; OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2 CCCCC2 |
(2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid |
| 22119 |  GKY CHEMBL190883 ZINC000000598622 |
3 | C23 H33 N O2 | InChI=1S/C23H33NO2/c1-4-1 5-24(16-5-2)17-13-21-11-1 2-22(25-3)23(19-21)26-18- 14-20-9-7-6-8-10-20/h6-12 ,19H,4-5,13-18H2,1-3H3; YBLIQJGXRLZBCZ-UHFFFAOYSA-N |
c1(ccc(c(c1)OCCc2ccccc2)OC)CCN(CCC)CCC; CCCN(CCC)CCc1ccc(c(c1)OCCc2ccccc2)OC; CC CN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1 |
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine |
| 22120 |  GKZ |
4 | C24 H28 Cl N4 O3 | InChI=1S/C24H27ClN4O3/c1- 15-22(16-2-4-18(25)5-3-16 )23(28-27-15)20-7-6-19(14 -21(20)30)32-13-12-29-10- 8-17(9-11-29)24(26)31/h2- 7,14,17,30H,8-13H2,1H3,(H 2,26,31)(H,27,28)/p+1; FIAWYOJOIHFYFE-UHFFFAOYSA-O |
Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC 3)C(=O)N)c4ccc(cc4)Cl; Cc1n[nH]c(c2ccc(O CC[NH+]3CCC(CC3)C(N)=O)cc2O)c1c4ccc(Cl)c c4 |
1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide |
| 22121 |  GL0 ZINC000000895350 |
3 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4-,5-,6-/m 1/s1; WQZGKKKJIJFFOK-AIECOIEWSA-N |
C(C1C(C(C(C(O1)O)O)O)O)O; C([C@@H]1[C@@H ]([C@H]([C@H]([C@@H](O1)O)O)O)O)O; OC[CH ]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@H]1 O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O; OC1C( O)C(OC(O)C1O)CO |
beta-D-gulopyranose; beta-D-gulose; D-gulose; gulose |
| 22122 |  GL1 DB02317 ZINC000004096092 |
4 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-1-2- 3(8)4(9)5(10)6(14-2)15-16 (11,12)13/h2-10H,1H2,(H2, 11,12,13)/t2-,3+,4+,5-,6- /m1/s1; HXXFSFRBOHSIMQ-FPRJBGLDSA-N |
OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O) [CH]1O; OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H ](O)[C@@H](O)[C@H]1O; O=P(OC1OC(C(O)C(O) C1O)CO)(O)O; C([C@@H]1[C@@H]([C@@H]([C@H ]([C@H](O1)OP(=O)(O)O)O)O)O)O; C(C1C(C(C (C(O1)OP(=O)(O)O)O)O)O)O |
1-O-phosphono-alpha-D-galactopyranose; ALPHA-D-GALACTOSE-1-PHOSPHATE; 1-O-phosphono-alpha-D-galactose; 1-O-phosphono-D-galactose; 1-O-phosphono-galactose |
| 22123 |  GL2 CHEMBL594722 DB01843 ZINC000003833818 |
1 | C8 H13 N3 O7 | InChI=1S/C8H13N3O7/c9-11- 6(16)8(10-7(11)17)5(15)4( 14)3(13)2(1-12)18-8/h2-5, 12-15H,1,9H2,(H,10,17)/t2 -,3-,4+,5-,8+/m1/s1; KLJXQBRQPPSXPZ-WWHASAIZSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(= O)N(C(=O)N2)N)O)O)O)O; NN1C(=O)N[C]2(O[C H](CO)[CH](O)[CH](O)[CH]2O)C1=O; O=C2N(C (=O)NC21OC(C(O)C(O)C1O)CO)N; NN1C(=O)N[C @@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O) C1=O; C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)N)O )O)O)O |
(5S,7R,8S,9S,10R)-3-amino-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione; 3-AMINO-8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE |
| 22124 |  GL3 CHEMBL1233056 ZINC000032155850 |
0 | C2 H5 N O S | InChI=1S/C2H5NOS/c3-1-2(4 )5/h1,3H2,(H,4,5); CYFJIBWZIQDUSZ-UHFFFAOYSA-N |
NCC(S)=O; C(C(=O)S)N; O=C(S)CN | THIOGLYCIN |
| 22125 |  GL4 CHEMBL489798 DB02964 ZINC000003931735 |
1 | C8 H12 N2 O6 S | InChI=1S/C8H12N2O6S/c11-1 -2-3(12)4(13)5(14)8(16-2) 6(15)9-7(17)10-8/h2-5,11- 14H,1H2,(H2,9,10,15,17)/t 2-,3-,4+,5-,8+/m1/s1; OEWLGQKSTDZKFN-WWHASAIZSA-N |
OC[CH]1O[C]2(NC(=S)NC2=O)[CH](O)[CH](O)[ CH]1O; OC[C@H]1O[C@@]2(NC(=S)NC2=O)[C@H] (O)[C@@H](O)[C@@H]1O; O=C2NC(=S)NC21OC(C (O)C(O)C1O)CO; C([C@@H]1[C@H]([C@@H]([C@ H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O; C(C1C (C(C(C2(O1)C(=O)NC(=S)N2)O)O)O)O |
(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-thioxo-6-oxa-1,3-diazaspiro[4.5]decan-4-one; 8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2-THIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DECAN-4-ONE |
| 22126 |  GL5 CHEMBL611940 DB02447 ZINC000003833816 |
1 | C8 H12 N2 O8 | InChI=1S/C8H12N2O8/c11-1- 2-3(12)4(13)5(14)8(18-2)6 (15)10(17)7(16)9-8/h2-5,1 1-14,17H,1H2,(H,9,16)/t2- ,3-,4+,5-,8+/m1/s1; IHDZZZHACPJCFJ-WWHASAIZSA-N |
OC[CH]1O[C]2(NC(=O)N(O)C2=O)[CH](O)[CH]( O)[CH]1O; O=C2N(O)C(=O)NC21OC(C(O)C(O)C1 O)CO; C(C1C(C(C(C2(O1)C(=O)N(C(=O)N2)O)O )O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@] 2(O1)C(=O)N(C(=O)N2)O)O)O)O)O; OC[C@H]1O [C@@]2(NC(=O)N(O)C2=O)[C@H](O)[C@@H](O)[ C@@H]1O |
(5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione; 3,8,9,10-TETRAHYDROXY-7-HYDROXYMETHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE |
| 22127 |  GL6 CHEMBL1233057 DB03392 ZINC000016051653 |
1 | C8 H18 N O8 P | InChI=1S/C8H18NO8P/c1-15- 18(14,16-2)9-8-7(13)6(12) 5(11)4(3-10)17-8/h4-8,10- 13H,3H2,1-2H3,(H,9,14)/t4 -,5-,6+,7-,8-/m1/s1; LJBUJRWZZYUNKX-JAJWTYFOSA-N |
COP(=O)(NC1C(C(C(C(O1)CO)O)O)O)OC; O=P(O C)(OC)NC1OC(C(O)C(O)C1O)CO; CO[P](=O)(N[ CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)OC; CO P(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O 1)CO)O)O)O)OC; CO[P](=O)(N[C@@H]1O[C@H]( CO)[C@@H](O)[C@H](O)[C@H]1O)OC |
N-(dimethoxyphosphoryl)-beta-D-glucopyranosylamine; (3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER; N-(dimethoxyphosphoryl)-beta-D-glucosylamine; N-(dimethoxyphosphoryl)-D-glucosylamine; N-(dimethoxyphosphoryl)-glucosylamine |
| 22128 |  GL7 CHEMBL593791 DB03479 ZINC000006437689 |
1 | C9 H14 N2 O7 | InChI=1S/C9H14N2O7/c1-11- 7(16)9(10-8(11)17)6(15)5( 14)4(13)3(2-12)18-9/h3-6, 12-15H,2H2,1H3,(H,10,17)/ t3-,4-,5+,6-,9+/m1/s1; RIUIMUSXAGXXON-FMTWGGRWSA-N |
CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H] (O2)CO)O)O)O)NC1=O; O=C2N(C(=O)NC21OC(C( O)C(O)C1O)CO)C; CN1C(=O)N[C]2(O[CH](CO)[ CH](O)[CH](O)[CH]2O)C1=O; CN1C(=O)C2(C(C (C(C(O2)CO)O)O)O)NC1=O; CN1C(=O)N[C@@]2( O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O |
8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-3-METHYL-6-OXA-1,3-DIAZA-SPIRO[4.5]DECANE-2,4-DIONE |
| 22129 |  GL8 CHEMBL490866 DB02673 ZINC000003813965 |
1 | C32 H37 N2 O5 | InChI=1S/C32H37N2O5/c1-38 -26-13-12-22-21-33(19-16- 32-15-14-23(35)20-27(32)3 9-29(26)28(22)32)17-8-4-2 -3-5-9-18-34-30(36)24-10- 6-7-11-25(24)31(34)37/h6- 7,10-15,21,23,27,35H,2-5, 8-9,16-20H2,1H3/q+1/t23-, 27-,32-/m0/s1; VLGAHTYYCHWLNI-BHRZLAGCSA-N |
COc1ccc2c3c1OC4C3(CC[N+](=C2)CCCCCCCCN5C (=O)c6ccccc6C5=O)C=CC(C4)O; COc1ccc2C=[N +](CCCCCCCCN3C(=O)c4ccccc4C3=O)CC[C]56C= C[CH](O)C[CH]5Oc1c26; O=C2c1ccccc1C(=O)N 2CCCCCCCC[N+]5=Cc6c3c(OC4C3(C=CC(O)C4)CC 5)c(OC)cc6; COc1ccc2c3c1O[C@@H]4[C@@]3(C C[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C= C[C@@H](C4)O; COc1ccc2C=[N+](CCCCCCCCN3C (=O)c4ccccc4C3=O)CC[C@@]56C=C[C@H](O)C[C @@H]5Oc1c26 |
GALANTHAMINE DERIVATIVE; (4AR,6S,8AR)-11-[8-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OCTYL]-6-HYDROXY-3-METHOXY-5,6,9,10-TETRAHYDRO-4AH-[1]BENZOFURO[3A,3,2-EF][2]BENZAZEPIN-11-IUM |
| 22130 |  GL9 CHEMBL593335 DB03835 ZINC000003833806 |
1 | C10 H15 N3 O8 | InChI=1S/C10H15N3O8/c1-3( 15)12-13-8(19)10(11-9(13) 20)7(18)6(17)5(16)4(2-14) 21-10/h4-7,14,16-18H,2H2, 1H3,(H,11,20)(H,12,15)/t4 -,5-,6+,7-,10+/m1/s1; MAHIOGAAEAWGLR-UTAYWCBXSA-N |
CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H] ([C@H](O2)CO)O)O)O)NC1=O; CC(=O)NN1C(=O) N[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H] 2O)C1=O; CC(=O)NN1C(=O)N[C]2(O[CH](CO)[C H](O)[CH](O)[CH]2O)C1=O; O=C2N(C(=O)NC21 OC(C(O)C(O)C1O)CO)NC(=O)C; CC(=O)NN1C(=O )C2(C(C(C(C(O2)CO)O)O)O)NC1=O |
N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide; N-(8,9,10-TRIHYDROXY-7-HYDROXYMETHYL-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.5]DEC-3-YL-ACETAMIDE |
| 22131 |  GLA CHEMBL1233058 ZINC000000901155 |
821 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4+,5-,6+/m 1/s1; WQZGKKKJIJFFOK-PHYPRBDBSA-N |
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1 O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@@H]1[C @@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O; OC [CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1C( O)C(OC(O)C1O)CO |
alpha-D-galactopyranose; alpha-D-galactose; D-galactose; galactose; ALPHA D-GALACTOSE |
| 22132 |  GLB |
0 | C6 H12 O6 | InChI=1/C6H12O6/c7-1-2-3( 8)4(9)5(10)6(11)12-2/h2-1 1H,1H2/t2-,3+,4+,5-,6-/m1 /s1; WQZGKKKJIJFFOK-FPRJBGLDBO |
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H] 1O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[C H](O)[CH](O)[CH](O)[CH]1O; OC1C(O)C(OC(O )C1O)CO; C([C@@H]1[C@@H]([C@@H]([C@H]([C @@H](O1)O)O)O)O)O |
BETA-D-GALACTOSE |
| 22133 |  GLC CHEMBL423707 ZINC000003861213 |
6254 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3-,4+,5-,6+/m 1/s1; WQZGKKKJIJFFOK-DVKNGEFBSA-N |
C(C1C(C(C(C(O1)O)O)O)O)O; C([C@@H]1[C@H] ([C@@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH] 1O[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O [C@H](O)[C@H](O)[C@@H](O)[C@@H]1O; OC1C( O)C(OC(O)C1O)CO |
alpha-D-glucopyranose; alpha-D-glucose; D-glucose; glucose |
| 22134 |  GLD DB01841 ZINC000012501177 |
15 | C6 H12 O4 | InChI=1S/C6H12O4/c1-3-2-4 (7)5(8)6(9)10-3/h3-9H,2H2 ,1H3/t3-,4+,5-,6+/m1/s1; BJBURJZEESAQPG-MOJAZDJTSA-N |
C[CH]1C[CH](O)[CH](O)[CH](O)O1; OC1CC(OC (O)C1O)C; CC1CC(C(C(O1)O)O)O; C[C@@H]1C[ C@@H]([C@H]([C@H](O1)O)O)O; C[C@@H]1C[C@ H](O)[C@@H](O)[C@@H](O)O1 |
4,6-dideoxy-alpha-D-xylo-hexopyranose; 4,6-DIDEOXYGLUCOSE; 4,6-dideoxy-alpha-D-xylo-hexose; 4,6-dideoxy-D-xylo-hexose; 4,6-dideoxy-xylo-hexose |
| 22135 |  GLE DB07836 ZINC000015529503 |
1 | C16 H32 F3 O6 P | InChI=1S/C16H32F3O6P/c1-3 -4-5-6-7-8-9-10-11-23-12- 15(25-26(20,21)22-2)13-24 -14-16(17,18)19/h15H,3-14 H2,1-2H3,(H,20,21)/t15-/m 0/s1; YBCDZAGHRGXDRX-HNNXBMFYSA-N |
CCCCCCCCCCOCC(COCC(F)(F)F)OP(=O)(O)OC; C CCCCCCCCCOC[CH](COCC(F)(F)F)O[P](O)(=O)O C; FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCC ; CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O )OC; CCCCCCCCCCOC[C@@H](COCC(F)(F)F)O[P@ ](O)(=O)OC |
1-DECYL-3-TRIFLUORO ETHYL-SN-GLYCERO-2-PHOSPHOMETHANOL |
| 22136 |  GLF ZINC000005131876 |
11 | C6 H11 F O5 | InChI=1S/C6H11FO5/c7-6-5( 11)4(10)3(9)2(1-8)12-6/h2 -6,8-11H,1H2/t2-,3-,4+,5- ,6+/m1/s1; ATMYEINZLWEOQU-DVKNGEFBSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O )O)O)O; C(C1C(C(C(C(O1)F)O)O)O)O; OC[CH] 1O[CH](F)[CH](O)[CH](O)[CH]1O; OC[C@H]1O [C@H](F)[C@H](O)[C@@H](O)[C@@H]1O; FC1OC (C(O)C(O)C1O)CO |
alpha-D-glucopyranosyl fluoride; 1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE; alpha-D-glucosyl fluoride; D-glucosyl fluoride; glucosyl fluoride |
| 22137 |  GLG CHEMBL135302 DB02720 |
1 | C7 H13 N O6 | InChI=1S/C7H13NO6/c8-7(13 )6-5(12)4(11)3(10)2(1-9)1 4-6/h2-6,9-12H,1H2,(H2,8, 13)/t2-,3-,4+,5-,6+/m1/s1; UKWLGCFJAVEFPE-DVKNGEFBSA-N |
NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O ; C(C1C(C(C(C(O1)C(=O)N)O)O)O)O; C([C@@H ]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O )O)O; O=C(N)C1OC(CO)C(O)C(O)C1O; NC(=O)[ C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
ALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDE |
| 22138 |  GLH |
0 | C18 H31 N3 O4 | InChI=1S/C18H31N3O4/c19-1 5(17(23)24)11-12-16(22)21 (14-9-5-2-6-10-14)18(25)2 0-13-7-3-1-4-8-13/h13-15H ,1-12,19H2,(H,20,25)(H,23 ,24)/t15-/m0/s1; RAARUSGPXZLHBT-HNNXBMFYSA-N |
C1CCC(CC1)NC(=O)N(C2CCCCC2)C(=O)CC[C@@H] (C(=O)O)N; N[C@@H](CCC(=O)N(C1CCCCC1)C(= O)NC2CCCCC2)C(O)=O; C1CCC(CC1)NC(=O)N(C2 CCCCC2)C(=O)CCC(C(=O)O)N; O=C(NC1CCCCC1) N(C(=O)CCC(C(=O)O)N)C2CCCCC2; N[CH](CCC( =O)N(C1CCCCC1)C(=O)NC2CCCCC2)C(O)=O |
N-5-CYCLOHEXYL-N-5-[(CYCLOHEXYLAMINO)CARBONYL]GLUTAMINE |
| 22139 |  GLI |
0 | C29 H47 N5 O7 | InChI=1/C29H47N5O7/c1-16( 2)24(28(39)34-25(17(3)4)2 9(40)41-7)33-23(36)14-13- 22(35)21(15-20-11-9-8-10- 12-20)32-27(38)19(6)31-26 (37)18(5)30/h8-12,16-19,2 1-22,24-25,35H,13-15,30H2 ,1-7H3,(H,31,37)(H,32,38) (H,33,36)(H,34,39)/t18-,1 9-,21-,22-,24-,25-/m0/s1/ f/h31-34H; IUDCAKKZLXFOQA-CDTQGVENDN |
COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[C H](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N )C(C)C)C(C)C; COC(=O)[C@@H](NC(=O)[C@@H] (NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[ C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C; O=C( OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O )C(N)C)C)Cc1ccccc1)C(C)C)C(C)C; CC(C)[C@ @H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)CC[ C@@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(= O)[C@H](C)N)O; CC(C)C(C(=O)NC(C(C)C)C(=O )OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC(= O)C(C)N)O |
ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME; SKF 107457 |
| 22140 |  GLJ ZINC000098208955 |
2 | C5 H11 N O4 | InChI=1S/C5H11NO4/c6-3(5( 9)10)1-2-4(7)8/h3-4,7-8H, 1-2,6H2,(H,9,10)/t3-/m0/s 1; FIKXYBCGRJPSSD-VKHMYHEASA-N |
C(CC(O)O)C(C(=O)O)N; C(CC(O)O)[C@@H](C(= O)O)N; N[C@@H](CCC(O)O)C(O)=O; O=C(O)C(N )CCC(O)O; N[CH](CCC(O)O)C(O)=O |
5,5-dihydroxy-L-norvaline |
| 22141 |  GLK ZINC000098208956 |
0 | C5 H11 N O4 | InChI=1S/C5H11NO4/c6-3(5( 9)10)1-2-4(7)8/h3,5,9-10H ,1-2,6H2,(H,7,8)/t3-/m0/s 1; MKADZLMZCPSMML-VKHMYHEASA-N |
N[CH](CCC(O)=O)C(O)O; C(CC(=O)O)[C@@H](C (O)O)N; O=C(O)CCC(N)C(O)O; C(CC(=O)O)C(C (O)O)N; N[C@@H](CCC(O)=O)C(O)O |
(4S)-4-amino-5,5-dihydroxypentanoic acid |
| 22142 |  GLL DB03533 |
7 | C4 H6 N4 O2 | InChI=1S/C4H6N4O2/c9-3-5- 1-2(7-3)8-4(10)6-1/h1-2H, (H2,5,7,9)(H2,6,8,10)/t1- ,2+; VPVSTMAPERLKKM-XIXRPRMCSA-N |
C12C(NC(=O)N1)NC(=O)N2; O=C1NC2NC(=O)NC2 N1; O=C1N[C@@H]2NC(=O)N[C@@H]2N1; O=C1N[ CH]2NC(=O)N[CH]2N1 |
GLYCOLURIL |
| 22143 |  GLM |
0 | C3 H7 N O | InChI=1S/C3H7NO/c1-3(5)2- 4/h2,4H2,1H3; BCDGQXUMWHRQCB-UHFFFAOYSA-N |
O=C(C)CN; CC(=O)CN | 1-AMINO-PROPAN-2-ONE |
| 22144 |  GLN CHEMBL930 DB00130 ZINC000001532526 |
366 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c6-3(5 (9)10)1-2-4(7)8/h3H,1-2,6 H2,(H2,7,8)(H,9,10)/t3-/m 0/s1; ZDXPYRJPNDTMRX-VKHMYHEASA-N |
C(CC(=O)N)C(C(=O)O)N; C(CC(=O)N)[C@@H](C (=O)O)N; O=C(N)CCC(N)C(=O)O; N[CH](CCC(N )=O)C(O)=O; N[C@@H](CCC(N)=O)C(O)=O |
GLUTAMINE |
| 22145 |  GLO CHEMBL448805 DB01914 ZINC000100009383 |
21 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3(9 )5(11)6(12)4(10)2-8/h1,3- 6,8-12H,2H2/t3-,4+,5+,6+/ m0/s1; GZCGUPFRVQAUEE-SLPGGIOYSA-N |
OC[CH](O)[CH](O)[CH](O)[CH](O)C=O; C([C@ H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O; O=C C(O)C(O)C(O)C(O)CO; C(C(C(C(C(C=O)O)O)O) O)O; OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H]( O)C=O |
D-glucose; D-GLUCOSE IN LINEAR FORM |
| 22146 |  GLP DB02657 ZINC000004097103 |
18 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-3-5 (9)4(8)2(15-6(3)10)1-14-1 6(11,12)13/h2-6,8-10H,1,7 H2,(H2,11,12,13)/t2-,3-,4 -,5-,6+/m1/s1; XHMJOUIAFHJHBW-UKFBFLRUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N )O)O)OP(=O)(O)O; N[CH]1[CH](O)O[CH](CO[P ](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(C(O1) O)N)O)O)OP(=O)(O)O; N[C@H]1[C@@H](O)O[C@ H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O; O=P( O)(O)OCC1OC(O)C(N)C(O)C1O |
2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose; GLUCOSAMINE 6-PHOSPHATE; 6-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-6-O-phosphono-D-glucose; 2-amino-2-deoxy-6-O-phosphono-glucose |
| 22147 |  GLQ |
0 | C5 H9 N O3 | InChI=1S/C5H9NO3/c6-4(3-7 )1-2-5(8)9/h3-4H,1-2,6H2, (H,8,9); MPUUQNGXJSEWTF-UHFFFAOYSA-N |
O=CC(N)CCC(=O)O; NC(CCC(O)=O)C=O; C(CC(= O)O)C(C=O)N |
4-AMINO-5-OXO-PENTANOIC ACID |
| 22148 |  GLR DB03237 |
14 | C6 H6 O7 | InChI=1S/C6H8O7/c7-2(4(9) 6(12)13)1-3(8)5(10)11/h2, 4,7,9H,1H2,(H,10,11)(H,12 ,13)/p-2/t2-,4+/m0/s1; QUURPCHWPQNNGL-ZAFYKAAXSA-L |
O[CH](CC(=O)C([O-])=O)[CH](O)C([O-])=O; C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[ O-]; C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]; O[C@@H](CC(=O)C([O-])=O)[C@@H](O)C([O-] )=O; O=C([O-])C(O)C(O)CC(=O)C([O-])=O |
2,3-DIHYDROXY-5-OXO-HEXANEDIOATE |
| 22149 |  GLS CHEMBL510975 ZINC000003833817 |
2 | C8 H12 N2 O7 | InChI=1S/C8H12N2O7/c11-1- 2-3(12)4(13)5(14)8(17-2)6 (15)9-7(16)10-8/h2-5,11-1 4H,1H2,(H2,9,10,15,16)/t2 -,3-,4+,5-,8+/m1/s1; QRXBDPYWCAAAAI-WWHASAIZSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(= O)NC(=O)N2)O)O)O)O; C(C1C(C(C(C2(O1)C(=O )NC(=O)N2)O)O)O)O; OC[CH]1O[C]2(NC(=O)NC 2=O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C@@] 2(NC(=O)NC2=O)[C@H](O)[C@@H](O)[C@@H]1O; O=C2NC(=O)NC21OC(C(O)C(O)C1O)CO |
BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN |
| 22150 |  GLT CHEMBL134001 ZINC000004134459 |
2 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-1-2- 3(8)4(9)5(10)6(11)12-2/h2 -11H,1H2/t2-,3-,4+,5-,6+/ m1/s1; KNWYARBAEIMVMZ-DVKNGEFBSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O )O)O)O; OC[C@H]1S[C@H](O)[C@H](O)[C@@H]( O)[C@@H]1O; C(C1C(C(C(C(S1)O)O)O)O)O; OC 1C(O)C(SC(O)C1O)CO; OC[CH]1S[CH](O)[CH]( O)[CH](O)[CH]1O |
5-thio-alpha-D-glucopyranose; 5-DEOXY-5-THIO-ALPHA-D-GLUCOSE; 5-thio-alpha-D-glucose; 5-thio-D-glucose; 5-thio-glucose |
| 22151 |  GLU CHEMBL575060 DB00142 ZINC000001482113 |
1150 | C5 H9 N O4 | InChI=1S/C5H9NO4/c6-3(5(9 )10)1-2-4(7)8/h3H,1-2,6H2 ,(H,7,8)(H,9,10)/t3-/m0/s 1; WHUUTDBJXJRKMK-VKHMYHEASA-N |
O=C(O)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)O)N ; C(CC(=O)O)[C@@H](C(=O)O)N; N[C@@H](CCC (O)=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O |
GLUTAMIC ACID |
| 22152 |  GLV CHEMBL1162545 DB04343 ZINC000004658554 |
35 | C2 H2 O3 | InChI=1S/C2H2O3/c3-1-2(4) 5/h1H,(H,4,5); HHLFWLYXYJOTON-UHFFFAOYSA-N |
C(=O)C(=O)O; O=CC(=O)O; OC(=O)C=O | GLYOXYLIC ACID; GLYOXALATE; GLYOXYLATE |
| 22153 |  GLW |
0 | C6 H12 O5 | InChI=1/C6H12O5/c1-2-3(7) 4(8)5(9)6(10)11-2/h2-10H, 1H3/t2-,3-,4+,5-,6+/m1/s1; SHZGCJCMOBCMKK-DVKNGEFBBL |
OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1)O)O)O )O; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1) O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)[CH ]1O; C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C @@H]1O |
6-DEOXYGLUCOSE |
| 22154 |  GLX |
0 | C5 H8 N O2 X2 | ; |
*=C(*)CCC(C(=O)O)N; *=C(*)CC[C@@H](C(=O) O)N; C(CC[C@H](N)C(O)=O)(=[F,Cl,Br,I])[F ,Cl,Br,I]; C(CC[CH](N)C(O)=O)(=[F,Cl,Br, I])[F,Cl,Br,I] |
GLU/GLN AMBIGUOUS |
| 22155 |  GLY CHEMBL773 DB00145 ZINC000004658552 |
1118 | C2 H5 N O2 | InChI=1S/C2H5NO2/c3-1-2(4 )5/h1,3H2,(H,4,5); DHMQDGOQFOQNFH-UHFFFAOYSA-N |
C(C(=O)O)N; NCC(O)=O; O=C(O)CN | GLYCINE |
| 22156 |  GLZ CHEMBL296723 ZINC000008220689 |
0 | C2 H5 N O | InChI=1S/C2H5NO/c3-1-2-4/ h2H,1,3H2; LYIIBVSRGJSHAV-UHFFFAOYSA-N |
C(C=O)N; NCC=O; O=CCN | AMINO-ACETALDEHYDE |
| 22157 |  GM0 |
2 | 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-/m0/s1; JDFMKMOMBHLESC-OPTWKVKHSA-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(C1 C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O |
4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose; 4-O-phosphono-L-glycero-alpha-D-manno-heptose; 4-O-phosphono-L-glycero-D-manno-heptose; 4-O-phosphono-L-glycero-manno-heptose |
| 22158 |  GM1 CHEMBL86954 DB03636 ZINC000035874641 |
4 | C2 H6 N2 O | InChI=1S/C2H6N2O/c3-1-2(4 )5/h1,3H2,(H2,4,5); BEBCJVAWIBVWNZ-UHFFFAOYSA-N |
C(C(=O)N)N; O=C(N)CN; NCC(N)=O | AMINOMETHYLAMIDE; GLYCINAMID |
| 22159 |  GM2 ZINC000058631724 |
1 | C43 H85 N O8 | InChI=1S/C43H85NO8/c1-3-5 -7-9-11-13-15-17-19-21-23 -25-27-29-31-33-39(47)44- 36(35-51-43-42(50)41(49)4 0(48)38(34-45)52-43)37(46 )32-30-28-26-24-22-20-18- 16-14-12-10-8-6-4-2/h36-3 8,40-43,45-46,48-50H,3-35 H2,1-2H3,(H,44,47)/t36-,3 7-,38+,40+,41-,42+,43+/m0 /s1; SYMIJCRAJBNLEL-YPQBUIQASA-N |
CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1) CO)O)O)O)C(CCCCCCCCCCCCCCCC)O; CCCCCCCCC CCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H ]([C@@H]([C@H](O1)CO)O)O)O)[C@H](CCCCCCC CCCCCCCCC)O; CCCCCCCCCCCCCCCCCC(=O)N[CH] (CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[C H](O)CCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCC C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O )[C@H](O)[C@H]1O)[C@@H](O)CCCCCCCCCCCCCC CC; O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCC CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC |
N-[(1S,2S)-2-HYDROXY-1-({[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YL]OXY}METHYL)OCTADECYL]OCTADECANAMIDE |
| 22160 |  GM3 ZINC000098208961 |
1 | C50 H99 N O8 | InChI=1S/C50H99NO8/c1-3-5 -7-9-11-13-15-17-19-20-21 -22-23-24-26-28-30-32-34- 36-38-40-46(54)51-43(42-5 8-50-49(57)48(56)47(55)45 (41-52)59-50)44(53)39-37- 35-33-31-29-27-25-18-16-1 4-12-10-8-6-4-2/h43-45,47 -50,52-53,55-57H,3-42H2,1 -2H3,(H,51,54)/t43-,44+,4 5+,47+,48-,49+,50-/m0/s1; OOIZAFBOLVYGJT-HDTBOXPDSA-N |
O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)CCCCCCC CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC; CCCC CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O 1)CO)O)O)O)C(CCCCCCCCCCCCCCCCC)O; CCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[ C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O )CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCCC CCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C @@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCC CCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCC(=O)N [CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 O)[CH](O)CCCCCCCCCCCCCCCCC |
N-{1-[(HEXOPYRANOSYLOXY)METHYL]-2-HYDROXYNONADECYL}TETRACOSANAMIDE |
| 22161 |  GM4 CHEMBL60542 ZINC000002015833 |
3 | C19 H27 N O | InChI=1S/C19H27NO/c1-13(2 )7-9-20-10-8-19(4)14(3)18 (20)11-15-5-6-16(21)12-17 (15)19/h5-7,12,14,18,21H, 8-11H2,1-4H3/t14-,18+,19+ /m1/s1; VOKSWYLNZZRQPF-CCKFTAQKSA-N |
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2 CC=C(C)C; C[C@@H]1[C@@H]2Cc3ccc(cc3[C@]1 (CCN2CC=C(C)C)C)O; C[CH]1[CH]2Cc3ccc(O)c c3[C]1(C)CCN2CC=C(C)C; C1(C)C2(c3c(CC1N( CC2)C[C@H]=C(C)C)ccc(c3)O)C; CC1C2Cc3ccc (cc3C1(CCN2CC=C(C)C)C)O |
(2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol |
| 22162 |  GM5 CHEMBL2178342 ZINC000072316041 |
8 | C16 H14 N4 O2 S | InChI=1S/C16H14N4O2S/c21- 16(18-22)13-6-4-5-12(9-13 )15-10-20(19-17-15)11-23- 14-7-2-1-3-8-14/h1-10,22H ,11H2,(H,18,21); DORPIZJGSLWDIY-UHFFFAOYSA-N |
c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO; ONC(=O)c1cccc(c1)c2cn(CSc3ccccc3)nn2 |
~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide |
| 22163 |  GM6 CHEMBL19611 DB02255 ZINC000003780014 |
10 | C20 H28 N4 O4 | InChI=1S/C20H28N4O4/c1-12 (2)8-13(10-18(25)24-28)19 (26)23-17(20(27)21-3)9-14 -11-22-16-7-5-4-6-15(14)1 6/h4-7,11-13,17,22,28H,8- 10H2,1-3H3,(H,21,27)(H,23 ,26)(H,24,25)/t13-,17+/m1 /s1; NITYDPDXAAFEIT-DYVFJYSZSA-N |
O=C(NO)CC(C(=O)NC(C(=O)NC)Cc2c1ccccc1nc2 )CC(C)C; CC(C)CC(CC(=O)NO)C(=O)NC(Cc1c[n H]c2c1cccc2)C(=O)NC; CNC(=O)[CH](Cc1c[nH ]c2ccccc12)NC(=O)[CH](CC(C)C)CC(=O)NO; C C(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH ]c2c1cccc2)C(=O)NC; CNC(=O)[C@H](Cc1c[nH ]c2ccccc12)NC(=O)[C@H](CC(C)C)CC(=O)NO |
3-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-TRP-METHYLAMIDE; GM6001 |
| 22164 |  GM7 CHEMBL3278349 ZINC000000403420 |
2 | C8 H7 N O4 | InChI=1S/C8H7NO4/c9-4-1-2 -5(7(10)11)6(3-4)8(12)13/ h1-3H,9H2,(H,10,11)(H,12, 13); OXSANYRLJHSQEP-UHFFFAOYSA-N |
Nc1ccc(C(O)=O)c(c1)C(O)=O; C(O)(c1cc(ccc 1C(O)=O)N)=O; c1cc(c(cc1N)C(=O)O)C(=O)O |
4-aminobenzene-1,2-dicarboxylic acid |
| 22165 |  GM8 |
0 | C10 H19 N O2 | InChI=1S/C10H19NO2/c1-2-7 (10(12)13)8-5-3-4-6-9(8)1 1/h7-9H,2-6,11H2,1H3,(H,1 2,13)/t7-,8-,9-/m0/s1; CYTBXYAGIBMIHA-CIUDSAMLSA-N |
CC[C@@H]([C@@H]1CCCC[C@@H]1N)C(=O)O; O=C (O)C(CC)C1CCCCC1N; CCC(C1CCCCC1N)C(=O)O; CC[CH]([CH]1CCCC[CH]1N)C(O)=O; CC[C@@H] ([C@@H]1CCCC[C@@H]1N)C(O)=O |
(2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid |
| 22166 |  GM9 CHEMBL563646 DB12022 ZINC000001494905 |
1 | C25 H28 N2 O5 S | InChI=1S/C25H28N2O5S/c1-2 5(2,3)21-11-9-19(10-12-21 )16-27(33(30,31)23-8-5-13 -26-15-23)17-20-6-4-7-22( 14-20)32-18-24(28)29/h4-1 5H,16-18H2,1-3H3,(H,28,29 ); WOHRHWDYFNWPNG-UHFFFAOYSA-N |
CC(C)(C)c1ccc(CN(Cc2cccc(OCC(O)=O)c2)[S] (=O)(=O)c3cccnc3)cc1; CC(C)(C)c1ccc(cc1) CN(Cc2cccc(c2)OCC(=O)O)S(=O)(=O)c3cccnc3 |
2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid |
| 22167 |  GMA DB03091 ZINC000002508203 |
0 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c6-3(5 (7)10)1-2-4(8)9/h3H,1-2,6 H2,(H2,7,10)(H,8,9)/t3-/m 0/s1; AEFLONBTGZFSGQ-VKHMYHEASA-N |
O=C(N)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)N)N ; N[CH](CCC(O)=O)C(N)=O; C(CC(=O)O)[C@@H ](C(=O)N)N; N[C@@H](CCC(O)=O)C(N)=O |
4-AMIDO-4-CARBAMOYL-BUTYRIC ACID |
| 22168 |  GMB ZINC000058631726 |
1 | C7 H16 O13 P2 | InChI=1S/C7H16O13P2/c8-2( 1-18-21(12,13)14)6-4(10)3 (9)5(11)7(19-6)20-22(15,1 6)17/h2-11H,1H2,(H2,12,13 ,14)(H2,15,16,17)/t2-,3-, 4-,5-,6+,7-/m0/s1; LMTGTTLGDUACSJ-QQABCQGCSA-N |
C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(= O)(O)O; O[CH](CO[P](O)(O)=O)[CH]1O[CH](O [P](O)(O)=O)[CH](O)[CH](O)[CH]1O; O[C@@H ](CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O) =O)[C@@H](O)[C@@H](O)[C@@H]1O; C([C@@H]( [C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP( =O)(O)O)O)O)O)O)OP(=O)(O)O |
1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose; 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptose; 1,7-di-O-phosphono-L-glycero-D-manno-heptose; 1,7-di-O-phosphono-L-glycero-manno-heptose |
| 22169 |  GMC CHEMBL1233071 ZINC000003875394 |
3 | C12 H18 N6 O3 | InChI=1S/C12H18N6O3/c1-17 (2)10-8-11(15-4-14-10)18( 5-16-8)12-9(20)7(13)6(3-1 9)21-12/h4-7,9,12,19-20H, 3,13H2,1-2H3/t6-,7-,9-,12 -/m1/s1; RYSMHWILUNYBFW-GRIPGOBMSA-N |
CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H ]([C@H](O3)CO)N)O; CN(C)c1ncnc2n(cnc12)[ CH]3O[CH](CO)[CH](N)[CH]3O; CN(C)c1ncnc2 n(cnc12)[C@@H]3O[C@H](CO)[C@@H](N)[C@H]3 O; CN(C)c1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)N )O; n2c1c(ncnc1N(C)C)n(c2)C3OC(C(N)C3O)C O |
(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL; 6N-DIMETHYL-3'-DEOXY-AMINO-ADENOSINE |
| 22170 |  GMD |
1 | C16 H25 N5 O2 S | InChI=1S/C16H25N5O2S/c17- 16-15-14(19-10-20-16)11(5 -18-15)6-21-7-12(13(23)8- 21)9-24-4-2-1-3-22/h5,10, 12-13,18,22-23H,1-4,6-9H2 ,(H2,17,19,20)/t12-,13+/m 1/s1; LDGNPMXZDVLXIT-OLZOCXBDSA-N |
Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCCO)C3)c[n H]c12; c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H] ([C@H](C3)O)CSCCCCO; Nc1ncnc2c(CN3C[C@H] (O)[C@@H](CSCCCCO)C3)c[nH]c12; c1c(c2c([ nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCCCCO; C(O) CCCSCC1CN(CC1O)Cc2cnc3c2ncnc3N |
(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol; hydroxybutylthio-DADMe-Immucillin-A |
| 22171 |  GME CHEMBL1233072 ZINC000002003955 |
0 | C6 H11 N O4 | InChI=1S/C6H11NO4/c1-11-5 (8)3-2-4(7)6(9)10/h4H,2-3 ,7H2,1H3,(H,9,10)/t4-/m0/ s1; ZGEYCCHDTIDZAE-BYPYZUCNSA-N |
COC(=O)CC[C@H](N)C(O)=O; COC(=O)CCC(C(=O )O)N; COC(=O)CC[C@@H](C(=O)O)N; COC(=O)C C[CH](N)C(O)=O; O=C(OC)CCC(C(=O)O)N |
5-O-methyl-glutamic acid; (2S)-2-amino-5-methoxy-5-oxopentanoic acid |
| 22172 |  GMF ZINC000095920498 |
1 | C20 H20 N4 O | InChI=1S/C20H20N4O/c1-25- 18-7-3-5-16(13-18)15-4-2- 6-17(12-15)19(24-20(21)22 )14-8-10-23-11-9-14/h2-13 ,19H,1H3,(H4,21,22,24)/t1 9-/m1/s1; LSPQISZRKHVJOD-LJQANCHMSA-N |
O(c1cccc(c1)c2cccc(c2)C(NC(=[N@H])N)c3cc ncc3)C; COc1cccc(c1)c2cccc(c2)[C@H](NC(N )=N)c3ccncc3; [H]/N=C(\N)/N[C@H](c1ccncc 1)c2cccc(c2)c3cccc(c3)OC; COc1cccc(c1)c2 cccc(c2)[CH](NC(N)=N)c3ccncc3; COc1cccc( c1)c2cccc(c2)C(c3ccncc3)NC(=N)N |
2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine |
| 22173 |  GMG CHEMBL549906 DB07837 ZINC000043016385 |
1 | C25 H18 N2 O2 | InChI=1S/C25H18N2O2/c28-2 4(29)11-16-5-7-18(8-6-16) 23-15-27-25-22(23)13-21(1 4-26-25)20-10-9-17-3-1-2- 4-19(17)12-20/h1-10,12-15 H,11H2,(H,26,27)(H,28,29); SWXKLXXVFMYMDP-UHFFFAOYSA-N |
OC(=O)Cc1ccc(cc1)c2c[nH]c3ncc(cc23)c4ccc 5ccccc5c4; O=C(O)Cc5ccc(c2c1cc(cnc1nc2)c 4cc3ccccc3cc4)cc5; c1ccc2cc(ccc2c1)c3cc4 c(c[nH]c4nc3)c5ccc(cc5)CC(=O)O |
[4-(5-naphthalen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetic acid |
| 22174 |  GMH DB04526 |
16 | C7 H14 O7 | InChI=1S/C7H14O7/c8-1-2(9 )6-4(11)3(10)5(12)7(13)14 -6/h2-13H,1H2/t2-,3-,4-,5 -,6+,7-/m0/s1; BGWQRWREUZVRGI-QQABCQGCSA-N |
OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H] (O)[C@@H]1O; C(C(C1C(C(C(C(O1)O)O)O)O)O) O; OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[ CH]1O; OC1C(O)C(OC(O)C1O)C(O)CO; C([C@@H ]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O) O)O)O)O)O |
L-glycero-alpha-D-manno-heptopyranose; L-glycero-alpha-D-manno-heptose; L-glycero-D-manno-heptose; L-glycero-manno-heptose; L-GLYCERO-D-MANNO-HEPTOPYRANOSE |
| 22175 |  GMI |
0 | C13 H21 N4 O6 P2 S | InChI=1S/C13H20N4O6P2S/c1 -9-12(3-4-23-25(21,22)8-2 4(18,19)20)26-7-17(9)6-11 -5-15-10(2)16-13(11)14/h5 ,7H,3-4,6,8H2,1-2H3,(H4-, 14,15,16,18,19,20,21,22)/ p+1; NSFCGDWNWBEOER-UHFFFAOYSA-O |
Cc1ncc(C[n+]2csc(CCO[P](O)(=O)C[P](O)(O) =O)c2C)c(N)n1; O=P(O)(O)CP(=O)(O)OCCc1sc [n+](Cc2cnc(C)nc2N)c1C; Cc1c(sc[n+]1Cc2c nc(nc2N)C)CCOP(=O)(CP(=O)(O)O)O |
[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 22176 |  GMJ CHEMBL54 DB00502 ZINC000000537822 |
5 | C21 H23 Cl F N O2 | InChI=1S/C21H23ClFNO2/c22 -18-7-5-17(6-8-18)21(26)1 1-14-24(15-12-21)13-1-2-2 0(25)16-3-9-19(23)10-4-16 /h3-10,26H,1-2,11-15H2; LNEPOXFFQSENCJ-UHFFFAOYSA-N |
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl )O)F; C(CC(c1ccc(F)cc1)=O)CN2CCC(O)(CC2) c3ccc(cc3)Cl; OC1(CCN(CCCC(=O)c2ccc(F)cc 2)CC1)c3ccc(Cl)cc3 |
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| 22177 |  GMK ZINC000098208963 |
1 | C28 H36 N2 O15 S2 | InChI=1S/C28H36N2O15S2/c1 -41-15-7-3-5-13(9-15)25(3 6)29-19-21(33)17(11-31)43 -27(23(19)35)46-28-24(45- 47(38,39)40)20(22(34)18(1 2-32)44-28)30-26(37)14-6- 4-8-16(10-14)42-2/h3-10,1 7-24,27-28,31-35H,11-12H2 ,1-2H3,(H,29,36)(H,30,37) (H,38,39,40)/t17-,18-,19+ ,20+,21+,22+,23-,24-,27+, 28+/m1/s1; CNUFQRWWCPUUQG-CWKIZLMASA-N |
COc1cccc(c1)C(=O)N[C@H]2[C@@H](O)[C@@H]( CO)O[C@@H](S[C@@H]3O[C@H](CO)[C@H](O)[C@ H](NC(=O)c4cccc(OC)c4)[C@H]3O[S](O)(=O)= O)[C@@H]2O; O=S(=O)(O)OC4C(NC(=O)c1cccc( OC)c1)C(O)C(OC4SC3OC(CO)C(O)C(NC(=O)c2cc cc(OC)c2)C3O)CO; COc1cccc(c1)C(=O)NC2C(C (OC(C2O)SC3C(C(C(C(O3)CO)O)NC(=O)c4cccc( c4)OC)OS(=O)(=O)O)CO)O; COc1cccc(c1)C(=O )N[CH]2[CH](O)[CH](CO)O[CH](S[CH]3O[CH]( CO)[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH]3O [S](O)(=O)=O)[CH]2O; COc1cccc(c1)C(=O)N[ C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3 [C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c 4cccc(c4)OC)OS(=O)(=O)O)CO)O |
(3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide |
| 22178 |  GMM |
1 | C66 H126 O8 | InChI=1S/C66H126O8/c1-3-5 -7-9-11-12-13-14-15-16-17 -18-19-20-21-22-23-24-25- 26-27-28-29-30-31-32-33-3 4-35-36-37-38-39-40-41-42 -43-44-45-46-47-48-49-50- 51-53-55-57-60(67)59(56-5 4-52-10-8-6-4-2)65(71)73- 58-61-62(68)63(69)64(70)6 6(72)74-61/h24-25,34-35,5 9-64,66-70,72H,3-23,26-33 ,36-58H2,1-2H3/b25-24-,35 -34-/t59-,60-,61+,62-,63+ ,64-,66-/m1/s1; BVARSKHQNMUXIB-WOUBZNJSSA-N |
CCCCCCCCCCCCCCCCCCC=CCCCCCCCCC=CCCCCCCCC CCCCCCCCCCCC(C(CCCCCCCC)C(=O)OCC1C(C(C(C (O1)O)O)O)O)O; CCCCCCCCCCCCCCCCCC\C=C/CC CCCCCC\C=C/CCCCCCCCCCCCCCCCCCC[C@H]([C@@ H](CCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C @H]([C@@H](O1)O)O)O)O)O; CCCCCCCCCCCCCCC CCC\C=C/CCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC [C@@H](O)[C@@H](CCCCCCCC)C(=O)OC[C@@H]1O [C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O; O=C( OCC1OC(O)C(O)C(O)C1O)C(CCCCCCCC)C(O)CCCC CCCCCCCCCCCCCCC\C=C/CCCCCCCC\C=C/CCCCCCC CCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC=CCCCCCC CCC=CCCCCCCCCCCCCCCCCCCC[CH](O)[CH](CCCC CCCC)C(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[ CH]1O |
GLUCOSE MONOMYCOLATE; 6-O-[(23Z,33Z)-3-HYDROXY-2-OCTYLDOPENTACONTA-23,33-DIENOYL]-ALPHA-D-IDOPYRANOSE |
| 22179 |  GMN CHEMBL360055 ZINC000003830882 |
1 | C30 H60 N3 O3 | InChI=1S/C30H60N3O3/c1-10 -31(11-2,12-3)22-25-34-28 -20-19-21-29(35-26-23-32( 13-4,14-5)15-6)30(28)36-2 7-24-33(16-7,17-8)18-9/h1 9-21H,10-18,22-27H2,1-9H3 /q+3; OZLPUNFFCJDMJD-UHFFFAOYSA-N |
CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)C C)c1OCC[N+](CC)(CC)CC; CC[N+](CC)(CC)CCO c1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(C C)CC; O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N +](CC)(CC)CC)CC[N+](CC)(CC)CC |
2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]; GALLAMINE |
| 22180 |  GMO |
0 | C15 H16 N4 O6 | InChI=1S/C15H16N4O6/c1-8( 20)13(16)14-17-11(15(23)1 8(14)7-12(21)22)6-9-2-4-1 0(5-3-9)19(24)25/h2-6,8,1 3,20H,7,16H2,1H3,(H,21,22 )/b11-6-/t8-,13+/m1/s1; JQDXBTBETHQVKZ-NGDPAIJVSA-N |
CC(C(C1=NC(=Cc2ccc(cc2)[N+](=O)[O-])C(=O )N1CC(=O)O)N)O; C[C@@H](O)[C@H](N)C1=NC( =C\c2ccc(cc2)[N+]([O-])=O)/C(=O)N1CC(O)= O; C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)[N+ ](=O)[O-])/C(=O)N1CC(=O)O)N)O; NC(C2=NC( =[C@H]c1ccc(cc1)[N+]([O-])=O)C(N2CC(O)=O )=O)C(O)C; C[CH](O)[CH](N)C1=NC(=Cc2ccc( cc2)[N+]([O-])=O)C(=O)N1CC(O)=O |
{(4Z)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 22181 |  GMP CHEMBL375655 DB02857 ZINC000001550030 |
98 | C10 H13 N5 O5 | InChI=1S/C10H13N5O5/c11-1 0-13-7-4(8(19)14-10)12-2- 15(7)9-6(18)5(17)3(1-16)2 0-9/h2-3,5-6,9,16-18H,1H2 ,(H3,11,13,14,19)/t3-,5-, 6-,9-/m1/s1; NYHBQMYGNKIUIF-UUOKFMHZSA-N |
c1nc2c(n1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C @@H](O)[C@H]3O; O=C1c2ncn(c2N=C(N)N1)C3O C(C(O)C3O)CO; c1nc2c(n1[C@H]3[C@@H]([C@@ H]([C@H](O3)CO)O)O)N=C(NC2=O)N; NC1=Nc2n (cnc2C(=O)N1)[CH]3O[CH](CO)[CH](O)[CH]3O |
GUANOSINE |
| 22182 |  GMQ CHEMBL4117175 |
1 | C34 H34 F N7 O5 | InChI=1S/C34H34FN7O5/c1-3 4(2,3)22-14-21-18-37-42(3 3(46)30(21)25(35)15-22)28 -7-5-6-23(24(28)19-43)26- 16-27(32(45)40(4)39-26)38 -29-9-8-20(17-36-29)31(44 )41-10-12-47-13-11-41/h5- 9,14-18,43H,10-13,19H2,1- 4H3,(H,36,38); GLLQSOROVXWYRC-UHFFFAOYSA-N |
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc (c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N 6CCOCC6)C; CN1N=C(C=C(Nc2ccc(cn2)C(=O)N3 CCOCC3)C1=O)c4cccc(N5N=Cc6cc(cc(F)c6C5=O )C(C)(C)C)c4CO |
6-~{tert}-butyl-8-fluoranyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-6-oxidanylidene-pyridazin-3-yl]phenyl]phthalazin-1-one |
| 22183 |  GMR ZINC000100001976 |
2 | C24 H34 N4 O5 S | InChI=1S/C24H34N4O5S/c1-4 -21-17(3)15-28(22(21)29)2 4(31)25-14-13-18-7-11-20( 12-8-18)34(32,33)27-23(30 )26-19-9-5-16(2)6-10-19/h 7-8,11-12,16,19H,4-6,9-10 ,13-15H2,1-3H3,(H,25,31)( H2,26,27,30)/t16-,19+; WIGIZIANZCJQQY-UWUNEBHHSA-N |
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(= O)NC(=O)NC3CCC(CC3)C)C; CCC1=C(C)CN(C(=O )NCCc2ccc(cc2)[S](=O)(=O)NC(=O)N[CH]3CC[ CH](C)CC3)C1=O; CCC1=C(C)CN(C(=O)NCCc2cc c(cc2)[S](=O)(=O)NC(=O)N[C@H]3CC[C@@H](C )CC3)C1=O; S(NC(=O)NC1CCC(C)CC1)(=O)(=O) c3ccc(CCNC(=O)N2C(=O)C(=C(C2)C)CC)cc3 |
3-ethyl-4-methyl-N-[2-(4-{[(cis-4-methylcyclohexyl)carbamoyl]sulfamoyl}phenyl)ethyl]-2-oxo-2,5-dihydro-1H-pyrrole-1-car boxamide; glimepiride |
| 22184 |  GMS |
3 | C10 H14 N5 O6 P Se | InChI=1S/C10H14N5O6PSe/c1 1-10-13-8-7(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/s 1; MMKHSOCVUGNOOR-KVQBGUIXSA-N |
c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](= O)(O)[SeH])O)N=C(NC2=O)N; NC1=Nc2n(cnc2C (=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)([S eH])=O)O3; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C H](O)[CH](CO[P](O)([SeH])=O)O3; O=P(O)([ SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O; c1 nc2c(n1C3CC(C(O3)COP(=O)(O)[SeH])O)N=C(N C2=O)N |
2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE |
| 22185 |  GMT ZINC000087529012 |
4 | C12 H19 N O10 | InChI=1S/C12H19NO10/c1-4( 15)13-8-10(19)9(18)6(3-14 )23-12(8)22-5(11(20)21)2- 7(16)17/h5-6,8-10,12,14,1 8-19H,2-3H2,1H3,(H,13,15) (H,16,17)(H,20,21)/t5-,6+ ,8+,9+,10+,12-/m0/s1; COBMRTSHZAUOCY-BVKYVCSXSA-N |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H] 1O[C@@H](CC(=O)O)C(=O)O)CO)O)O; CC(=O)N[ CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH](CC (O)=O)C(O)=O; CC(=O)N[C@@H]1[C@@H](O)[C@ H](O)[C@@H](CO)O[C@@H]1O[C@@H](CC(O)=O)C (O)=O; O=C(O)CC(C(O)=O)OC1C(C(C(C(O1)CO) O)O)NC(C)=O; CC(=O)NC1C(C(C(OC1OC(CC(=O) O)C(=O)O)CO)O)O |
(2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid; (2S)-2-{[2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid; (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucosyl]oxy}butanedioic acid; (2S)-2-{[2-acetamido-2-deoxy-D-glucosyl]oxy}butanedioic acid; (2S)-2-{[2-acetamido-2-deoxy-glucosyl]oxy}butanedioic acid |
| 22186 |  GMU ZINC000058631783 |
0 | C13 H24 N5 O9 P | InChI=1S/C13H24N5O9P/c1-6 -4-18(13(21)17-10(6)20)11 -9(25-3-2-16-12(14)15)8(1 9)7(27-11)5-26-28(22,23)2 4/h4,7-9,11-12,16,19H,2-3 ,5,14-15H2,1H3,(H,17,20,2 1)(H2,22,23,24)/t7-,8-,9- ,11-/m1/s1; ZVINVJYRGPQIPJ-TURQNECASA-N |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)OCCNC(N)N; CC1=CN([CH]2O[CH](CO[P](O) (O)=O)[CH](O)[CH]2OCCNC(N)N)C(=O)NC1=O; CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H ](O)[C@H]2OCCNC(N)N)C(=O)NC1=O; CC1=CN(C (=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C OP(=O)(O)O)O)OCCNC(N)N; O=C1NC(=O)N(C=C1 C)C2OC(C(O)C2OCCNC(N)N)COP(=O)(O)O |
2'-O-[(2-GUANIDINIUM)ETHYL]-5-METHYLURIDINE 5'-MONOPHOSPHATE |
| 22187 |  GMV |
2 | C10 H17 N5 O12 P V | InChI=1S/C10H14N5O8P.4H2O .V/c11-10-13-7-4(8(18)14- 10)12-2-15(7)9-6(17)5(16) 3(23-9)1-22-24(19,20)21;; ;;;/h2-3,5-6,9,16-17H,1H2 ,(H2,19,20,21)(H3,11,13,1 4,18);4*1H2;/q;;;;;+5/p-5 /t3-,5-,6-,9-;;;;;/m1.... ./s1; BCICKRMJBANRAL-LTPGDGGNSA-I |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P] (O)(=O)O[V](O)(O)(O)O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O) (=O)O[V](O)(O)(O)O)[CH](O)[CH]3O; O=P(O[ V](O)(O)(O)O)(O)OCC3OC(n2cnc1c2N=C(N)NC1 =O)C(O)C3O; c1nc2c(n1C3C(C(C(O3)COP(=O)( O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N; c1nc2c (n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)( O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N |
GUANOSINE-5'-PHOSPHOVANADATE |
| 22188 |  GMW CHEMBL4468226 |
1 | C37 H37 F N6 O5 | InChI=1S/C37H37FN6O5/c1-3 7(2,3)23-14-22-20-40-44(3 6(48)33(22)28(38)15-23)30 -7-5-6-25-26(30)16-24(45) 17-31-27(25)18-29(35(47)4 2(31)4)41-32-9-8-21(19-39 -32)34(46)43-10-12-49-13- 11-43/h5-9,14-15,18-20,24 ,45H,10-13,16-17H2,1-4H3, (H,39,41)/t24-/m0/s1; ACFBKRAWAGNCMP-DEOSSOPVSA-N |
CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc 4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6 )C(=O)N7CCOCC7)O; CC(C)(C)c1cc2c(c(c1)F) C(=O)N(N=C2)c3cccc4c3CC(CC5=C4C=C(C(=O)N 5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O; CN1C(=O)C (=CC2=C1C[C@@H](O)Cc3c(cccc23)N4N=Cc5cc( cc(F)c5C4=O)C(C)(C)C)Nc6ccc(cn6)C(=O)N7C COCC7; CN1C(=O)C(=CC2=C1C[CH](O)Cc3c(ccc c23)N4N=Cc5cc(cc(F)c5C4=O)C(C)(C)C)Nc6cc c(cn6)C(=O)N7CCOCC7 |
(9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one |
| 22189 |  GMX |
0 | C11 H16 N5 O8 P | InChI=1S/C11H16N5O8P/c1-3 (24-25(20,21)22)7-5(17)6( 18)10(23-7)16-2-13-4-8(16 )14-11(12)15-9(4)19/h2-3, 5-7,10,17-18H,1H3,(H2,20, 21,22)(H3,12,14,15,19)/t3 -,5+,6-,7-,10-/m1/s1; QYBUIBIHUIWDID-KPCPHYELSA-N |
C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH ]1O)n2cnc3C(=O)N=C(N)Nc23; OP(OC(C1C(C(C (O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O; CC(C1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O)O P(=O)(O)O; C[C@@H](O[P](O)(O)=O)[C@H]1O[ C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)N=C(N)N c23; C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1 )n2cnc3c2NC(=NC3=O)N)O)O)OP(=O)(O)O |
2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one |
| 22190 |  GMY |
0 | C29 H40 N2 O9 | InChI=1S/C29H40N2O9/c1-15 -11-19-25(34)20(14-21(32) 27(19)39-7)31-28(35)16(2) 9-8-10-22(37-5)26(40-29(3 0)36)18(4)13-17(3)24(33)2 3(12-15)38-6/h8-10,13-15, 17,22-24,26,33H,11-12H2,1 -7H3,(H2,30,36)(H,31,35)/ b10-8-,16-9+,18-13+/t15-, 17-,22-,23-,24+,26-/m0/s1; QTQAWLPCGQOSGP-JNTUZXSDSA-N |
CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O) C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC; O =C1C(OC)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC) C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C; CO[C@H]1C[C@@H](C)CC2=C(OC)C(=O)C=C(NC(= O)\C(=C\C=C/[C@H](OC)[C@@H](OC(N)=O)/C(= C/[C@H](C)[C@H]1O)C)C)C2=O; CO[CH]1C[CH] (C)CC2=C(OC)C(=O)C=C(NC(=O)C(=CC=C[CH](O C)[CH](OC(N)=O)C(=C[CH](C)[CH]1O)C)C)C2= O; C[C@@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C @@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C (C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC |
GELDANAMYCIN |
| 22191 |  GMZ ZINC000004099126 |
1 | C7 H16 O13 P2 | InChI=1S/C7H16O13P2/c8-2( 1-18-21(12,13)14)6-4(10)3 (9)5(11)7(19-6)20-22(15,1 6)17/h2-11H,1H2,(H2,12,13 ,14)(H2,15,16,17)/t2-,3+, 4+,5+,6-,7+/m1/s1; LMTGTTLGDUACSJ-QTNLNCNHSA-N |
C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(= O)(O)O; O[CH](CO[P](O)(O)=O)[CH]1O[CH](O [P](O)(O)=O)[CH](O)[CH](O)[CH]1O; O[C@H] (CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)= O)[C@@H](O)[C@@H](O)[C@@H]1O; O=P(O)(O)O CC(O)C1OC(OP(=O)(O)O)C(O)C(O)C1O; C([C@H ]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O P(=O)(O)O)O)O)O)O)OP(=O)(O)O |
1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose; 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptose; 1,7-di-O-phosphono-D-glycero-D-manno-heptose; 1,7-di-O-phosphono-D-glycero-manno-heptose |
| 22192 |  GN0 CHEMBL4065858 ZINC000584905559 |
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-/m1/s 1; SUFXXEIVBZJOAP-RUZDIDTESA-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(Sc2ccccc2C l)C(=O)N[C@@](C1)(c3cscc3)c4ccc(cc4)N5CC OCC5 |
(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one; inhibitor GNE-140 |
| 22193 |  GN1 CHEMBL1233078 ZINC000004096361 |
22 | C8 H16 N O9 P | InChI=1S/C8H16NO9P/c1-3(1 1)9-5-7(13)6(12)4(2-10)17 -8(5)18-19(14,15)16/h4-8, 10,12-13H,2H2,1H3,(H,9,11 )(H2,14,15,16)/t4-,5-,6-, 7-,8-/m1/s1; FZLJPEPAYPUMMR-FMDGEEDCSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO )O[C@@H]1O[P](O)(O)=O; O=P(OC1OC(C(O)C(O )C1NC(=O)C)CO)(O)O; CC(=O)N[CH]1[CH](O)[ CH](O)[CH](CO)O[CH]1O[P](O)(O)=O; CC(=O) NC1C(C(C(OC1OP(=O)(O)O)CO)O)O; CC(=O)N[C @@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O )O)CO)O)O |
2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose; 2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE; N-ACETYL-D-GLUCOSAMINE-1-PHOSPHATE; N-acetyl-1-O-phosphono-alpha-D-glucosamine; 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-acetamido-2-deoxy-1-O-phosphono-D-glucose; 2-acetamido-2-deoxy-1-O-phosphono-glucose |
| 22194 |  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 |
| 22195 |  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 |
| 22196 |  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 |
| 22197 |  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 |
| 22198 |  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 |
| 22199 |  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 |
| 22200 |  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 |