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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 36401 | OVI | 1 | C22 H17 F2 N5 O2 | InChI=1S/C22H17F2N5O2/c1- 2-25-17(30)10-12-6-8-13(9 -7-12)27-21-19-16(11-26-2 2(19)31)28-20(29-21)18-14 (23)4-3-5-15(18)24/h3-9,1 1H,2,10H2,1H3,(H,25,30)(H ,27,28,29); JPMGFORVJWNXAQ-UHFFFAOYSA-N |
CCNC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc 4F)F)C=NC3=O; CCNC(=O)Cc1ccc(Nc2nc(nc3C= NC(=O)c23)c4c(F)cccc4F)cc1; CCNC(=O)Cc1c cc(cc1)Nc1nc(nc2C=NC(=O)c21)c1c(F)cccc1F |
2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide |
| 36402 | OVJ | 1 | C17 H15 N O4 | InChI=1S/C17H15NO4/c1-21- 14-5-2-12(3-6-14)18-13-4- 7-15-11(8-17(19)20)10-22- 16(15)9-13/h2-7,9-10,18H, 8H2,1H3,(H,19,20); MFCXHNGDMBSNNX-UHFFFAOYSA-N |
COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1; c1( ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3; COc1 ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O |
{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid |
| 36403 | OVK CHEMBL4855635 |
1 | C20 H30 N6 O7 S | InChI=1S/C20H30N6O7S/c1-1 2(2)10-14(21)20(29)24-34( 30,31)32-11-16-18(28)17(2 7)15(33-16)8-9-26-23-19(2 2-25-26)13-6-4-3-5-7-13/h 3-7,12,14-18,27-28H,8-11, 21H2,1-2H3,(H,24,29)/t14- ,15-,16+,17-,18+/m0/s1; AWUZSNXCDBPNMM-IECFSIQFSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O )O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[ C@H]1O[C@@H](CCn2nnc(n2)c3ccccc3)[C@H](O )[C@@H]1O; CC(C)CC(C(=O)NS(=O)(=O)OCC1C( C(C(O1)CCn2nc(nn2)c3ccccc3)O)O)N; CC(C)C [CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](CCn 2nnc(n2)c3ccccc3)[CH](O)[CH]1O |
[(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36404 | OVL CHEMBL5401045 |
1 | C29 H36 N14 O8 | InChI=1S/C29H36N14O8/c30- 23-17-25(37-10-35-23)42(1 2-39-17)27-21(47)20(46)14 (51-27)8-41-6-1-3-15-40-1 8-24(31)36-11-38-26(18)43 (15)28-22(48)19(45)13(50- 28)7-34-29(49)33-5-2-4-32 -16(44)9-41/h10-14,19-22, 27-28,45-48H,2,4-9H2,(H,3 2,44)(H2,30,35,37)(H2,31, 36,38)(H2,33,34,49)/t13-, 14-,19-,20-,21-,22-,27-,2 8-/m1/s1; JUVLXNMEOQXWRD-CGZJSAOLSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN4CC#Cc5n c6c(N)ncnc6n5[C@@H]7O[C@H](CNC(=O)NCCCNC (=O)C4)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]3O ; Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc 6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O) C4)[CH](O)[CH]7O)[CH](O)[CH]3O; c1nc(c2c (n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6 n5C7C(C(C(O7)CNC(=O)NCCCNC(=O)C4)O)O)N)O )O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@ @H]([C@H](O3)CN4CC#Cc5nc6c(ncnc6n5[C@H]7 [C@@H]([C@@H]([C@H](O7)CNC(=O)NCCCNC(=O) C4)O)O)N)O)O)N |
(1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione |
| 36405 | OVM CHEMBL22425 ZINC000000120430 |
2 | C8 H8 O3 | InChI=1S/C8H8O3/c1-11-7-4 -2-3-6(5-7)8(9)10/h2-5H,1 H3,(H,9,10); XHQZJYCNDZAGLW-UHFFFAOYSA-N |
COc1cccc(c1)C(O)=O; COc1cccc(c1)C(=O)O; C(O)(c1cccc(c1)OC)=O |
3-methoxybenzoic acid |
| 36406 | OVN CHEMBL4850408 |
1 | C21 H39 N5 O8 S | InChI=1S/C21H39N5O8S/c1-1 4(2)10-17(22)21(30)24-35( 31,32)34-13-18-20(29)19(2 8)15(12-33-18)6-5-8-26-11 -16(23-25-26)7-3-4-9-27/h 11,14-15,17-20,27-29H,3-1 0,12-13,22H2,1-2H3,(H,24, 30)/t15-,17+,18-,19+,20-/ m1/s1; GYRXQACHPUUHBN-MTEHYEEQSA-N |
CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC n2cc(nn2)CCCCO)O)O)N; CC(C)C[C@H](N)C(=O )N[S](=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CC CCO)nn2)[C@H](O)[C@@H]1O; CC(C)C[CH](N)C (=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CC CCO)nn2)[CH](O)[CH]1O; CC(C)C[C@@H](C(=O )NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](C O1)CCCn2cc(nn2)CCCCO)O)O)N |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36407 | OVO | 1 | C16 H14 N2 O | InChI=1S/C16H14N2O/c17-16 -18-15(11-19-16)14-8-6-13 (7-9-14)10-12-4-2-1-3-5-1 2/h1-9,11H,10H2,(H2,17,18 ); FZDQKNHCMWUWBD-UHFFFAOYSA-N |
Nc1occ(n1)c2ccc(Cc3ccccc3)cc2; c1ccc(cc1 )Cc2ccc(cc2)c3coc(n3)N |
4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine; 4-(4-benzylphenyl)-oxazol-2-amine |
| 36408 | OVP CHEMBL69340 ZINC000001641231 |
1 | C8 H8 O2 S | InChI=1S/C8H8O2S/c1-11-7- 4-2-3-6(5-7)8(9)10/h2-5H, 1H3,(H,9,10); PZGADOOBMVLBJE-UHFFFAOYSA-N |
CSc1cccc(c1)C(O)=O; CSc1cccc(c1)C(=O)O | 3-(methylsulfanyl)benzoic acid |
| 36409 | OVQ CHEMBL4864716 |
1 | C22 H34 N6 O7 S | InChI=1S/C22H34N6O7S/c1-1 4(2)9-17(23)22(31)26-36(3 2,33)35-13-19-21(30)20(29 )16(12-34-19)6-4-8-28-11- 18(25-27-28)15-5-3-7-24-1 0-15/h3,5,7,10-11,14,16-1 7,19-21,29-30H,4,6,8-9,12 -13,23H2,1-2H3,(H,26,31)/ t16-,17+,19-,20+,21-/m1/s 1; ADQFJUZJIVRSDT-LXDWIVHCSA-N |
CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[ CH](CCCn2cc(nn2)c3cccnc3)[CH](O)[CH]1O; CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3 )O)O)N; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C (CO1)CCCn2cc(nn2)c3cccnc3)O)O)N; CC(C)C[ C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H] (CCCn2cc(nn2)c3cccnc3)[C@H](O)[C@@H]1O |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36410 | OVR CHEMBL2165224 DB11785 ZINC000003197739 |
5 | C17 H23 N O4 | InChI=1S/C17H23NO4/c1-18- 12-7-13(9-15(18)16(20)8-1 2)22-17(21)14(10-19)11-5- 3-2-4-6-11/h2-6,12-16,19- 20H,7-10H2,1H3/t12-,13-,1 4+,15+,16-/m0/s1; WTQYWNWRJNXDEG-RBZJEDDUSA-N |
CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3; C N1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O )[C@H](CO)c3ccccc3; CN1[C@@H]2C[C@H](O)[ C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3; CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1; C N1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH]( CO)c3ccccc3 |
(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
| 36411 | OVS | 1 | C16 H12 O4 | InChI=1S/C16H12O4/c17-16( 18)8-11-10-19-15-9-13(6-7 -14(11)15)20-12-4-2-1-3-5 -12/h1-7,9-10H,8H2,(H,17, 18); SLCAFBFROXEZHX-UHFFFAOYSA-N |
O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3; c1c cc(cc1)Oc2ccc3c(c2)occ3CC(=O)O; OC(=O)Cc 1coc2cc(Oc3ccccc3)ccc12 |
(6-phenoxy-1-benzofuran-3-yl)acetic acid |
| 36412 | OVT CHEMBL4876966 |
1 | C25 H39 N5 O7 S | InChI=1S/C25H39N5O7S/c1-1 7(2)13-21(26)25(33)28-38( 34,35)37-16-22-24(32)23(3 1)19(15-36-22)9-6-12-30-1 4-20(27-29-30)11-10-18-7- 4-3-5-8-18/h3-5,7-8,14,17 ,19,21-24,31-32H,6,9-13,1 5-16,26H2,1-2H3,(H,28,33) /t19-,21+,22-,23+,24-/m1/ s1; OGPNUIVQHZNEJO-MENZVKOBSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3cccc c3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=O )OC[C@H]1OC[C@@H](CCCn2cc(CCc3ccccc3)nn2 )[C@H](O)[C@@H]1O; CC(C)CC(C(=O)NS(=O)(= O)OCC1C(C(C(CO1)CCCn2cc(nn2)CCc3ccccc3)O )O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[C H]1OC[CH](CCCn2cc(CCc3ccccc3)nn2)[CH](O) [CH]1O |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36413 | OVU | 1 | C7 H10 O6 | InChI=1S/C7H10O6/c8-2-1-7 (12,6(10)11)5-4(13-5)3(2) 9/h2-5,8-9,12H,1H2,(H,10, 11)/t2-,3+,4+,5+,7-/m1/s1; ASWQMJLBZXDZCM-WPCLBDJUSA-N |
C1[C@H]([C@@H]([C@H]2[C@@H]([C@]1(C(=O)O )O)O2)O)O; O[C@@H]1C[C@@](O)([C@H]2O[C@H ]2[C@H]1O)C(O)=O; O[CH]1C[C](O)([CH]2O[C H]2[CH]1O)C(O)=O; C1C(C(C2C(C1(C(=O)O)O) O2)O)O |
(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid |
| 36414 | OVV CHEMBL67450 ZINC000000330142 |
3 | C8 H8 O2 | InChI=1S/C8H8O2/c1-6-3-2- 4-7(5-6)8(9)10/h2-5H,1H3, (H,9,10); GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
Cc1cccc(c1)C(=O)O; Cc1cccc(c1)C(O)=O | 3-methylbenzoic acid |
| 36415 | OVW CHEMBL4867227 |
1 | C25 H47 N5 O7 S | InChI=1S/C25H47N5O7S/c1-4 -5-6-7-8-9-12-20-15-30(29 -27-20)13-10-11-19-16-36- 22(24(32)23(19)31)17-37-3 8(34,35)28-25(33)21(26)14 -18(2)3/h15,18-19,21-24,3 1-32H,4-14,16-17,26H2,1-3 H3,(H,28,33)/t19-,21+,22- ,23+,24-/m1/s1; KJHVCACMAXYEPW-MENZVKOBSA-N |
CCCCCCCCc1cn(nn1)CCCC2COC(C(C2O)O)COS(=O )(=O)NC(=O)C(CC(C)C)N; CCCCCCCCc1cn(CCC[ CH]2CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC( C)C)[CH](O)[CH]2O)nn1; CCCCCCCCc1cn(CCC[ C@@H]2CO[C@H](CO[S](=O)(=O)NC(=O)[C@@H]( N)CC(C)C)[C@@H](O)[C@H]2O)nn1; CCCCCCCCc 1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O )O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N |
[(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36416 | OVX | 3 | C20 H16 Cl N3 O2 | InChI=1S/C20H16ClN3O2/c21 -15-5-3-6-16(10-15)24-9-8 -23(13-19(24)25)20(26)18- 12-22-11-14-4-1-2-7-17(14 )18/h1-7,10-12H,8-9,13H2; OMBIOAUKLYASJI-UHFFFAOYSA-N |
Clc1cccc(c1)N2CCN(CC2=O)C(=O)c3cncc4cccc c34; c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3) c4cccc(c4)Cl; O=C(c1cncc2ccccc21)N1CC(=O )N(CC1)c1cccc(Cl)c1 |
1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one |
| 36417 | OVY | 1 | C11 H20 N2 O9 | InChI=1S/C11H20N2O9/c1-4( 15)12-8(10(19)9(18)7(17)3 -14)6(16)2-5(13-22)11(20) 21/h6-10,14,16-19,22H,2-3 H2,1H3,(H,12,15)(H,20,21) /b13-5+/t6-,7+,8+,9+,10+/ m0/s1; ROZSOFSDDJZICT-HMLDMLNFSA-N |
CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C @H]([C@@H]([C@@H](CO)O)O)O; CC(=O)NC(C(C C(=NO)C(=O)O)O)C(C(C(CO)O)O)O; CC(=O)N[C @H]([C@@H](O)C\C(=N/O)C(O)=O)[C@@H](O)[C @H](O)[C@H](O)CO; C(NC(C(C(C(CO)O)O)O)C( C/C(C(O)=O)=N\O)O)(C)=O; CC(=O)N[CH]([CH ](O)CC(=NO)C(O)=O)[CH](O)[CH](O)[CH](O)C O |
(2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
| 36418 | OVZ CHEMBL4871282 |
1 | C25 H40 N6 O7 S | InChI=1S/C25H40N6O7S/c1-1 7(2)11-21(26)25(34)29-39( 35,36)38-16-22-24(33)23(3 2)19(15-37-22)9-6-10-31-1 4-20(28-30-31)13-27-12-18 -7-4-3-5-8-18/h3-5,7-8,14 ,17,19,21-24,27,32-33H,6, 9-13,15-16,26H2,1-2H3,(H, 29,34)/t19-,21+,22-,23+,2 4-/m1/s1; FOFGBZQNHMMVTL-MENZVKOBSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccc cc3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(= O)OC[C@H]1OC[C@@H](CCCn2cc(CNCc3ccccc3)n n2)[C@H](O)[C@@H]1O; CC(C)CC(C(=O)NS(=O) (=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNCc3ccccc 3)O)O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)O C[CH]1OC[CH](CCCn2cc(CNCc3ccccc3)nn2)[CH ](O)[CH]1O |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36419 | OW0 CHEMBL569713 DB00747 ZINC000100037020 |
1 | C17 H21 N O4 | InChI=1S/C17H21NO4/c1-18- 13-7-11(8-14(18)16-15(13) 22-16)21-17(20)12(9-19)10 -5-3-2-4-6-10/h2-6,11-16, 19H,7-9H2,1H3/t11-,12-,13 -,14+,15-,16+/m1/s1; STECJAGHUSJQJN-FWXGHANASA-N |
CN1[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)[ CH](CO)c4ccccc4; CN1C2CC(CC1C3C2O3)OC(=O )C(CO)c4ccccc4; CN1[C@@H]2C[C@H](C[C@H]1 [C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4; OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21 ; CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC (=O)[C@H](CO)c4ccccc4 |
(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate |
| 36420 | OW1 | 2 | C24 H35 F3 N4 O4 | InChI=1S/C24H35F3N4O4/c1- 7-13(10-12-8-9-28-18(12)3 2)29-19(33)16-15-14(23(15 ,5)6)11-31(16)20(34)17(22 (2,3)4)30-21(35)24(25,26) 27/h7,12-17H,1,8-11H2,2-6 H3,(H,28,32)(H,29,33)(H,3 0,35)/t12-,13+,14-,15-,16 -,17+/m0/s1; TWWPGJPLBPBRGX-FHULIHMCSA-N |
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C (C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@ @H]3CCNC3=O)C=C)C; CC1(C2C1C(N(C2)C(=O)C (C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC 3=O)C=C)C; CC(C)(C)[CH](NC(=O)C(F)(F)F)C (=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3C CNC3=O)C=C)C2(C)C; CC(C)(C)[C@H](NC(=O)C (F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O) N[C@@H](C[C@@H]3CCNC3=O)C=C)C2(C)C |
Nirmatrelvir (reacted form); (1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 36421 | OW2 CHEMBL4864835 |
1 | C26 H41 N7 O8 S | InChI=1S/C26H41N7O8S/c1-1 7(2)11-21(27)25(36)31-42( 38,39)41-16-22-24(35)23(3 4)19(15-40-22)9-6-10-33-1 4-20(30-32-33)13-29-26(37 )28-12-18-7-4-3-5-8-18/h3 -5,7-8,14,17,19,21-24,34- 35H,6,9-13,15-16,27H2,1-2 H3,(H,31,36)(H2,28,29,37) /t19-,21+,22-,23+,24-/m1/ s1; BUJGEMBLEXNUBK-MENZVKOBSA-N |
CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC n2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N; CC(C)C [C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@ H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccc cc3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(= O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)NCc3cc ccc3)nn2)[C@H](O)[C@@H]1O; CC(C)C[CH](N) C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(C NC(=O)NCc3ccccc3)nn2)[CH](O)[CH]1O |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36422 | OW4 ZINC000000012530 |
7 | C8 H9 N O2 | InChI=1S/C8H9NO2/c1-9-7-4 -2-3-6(5-7)8(10)11/h2-5,9 H,1H3,(H,10,11); ZCCNWBPFIBQFQX-UHFFFAOYSA-N |
CNc1cccc(c1)C(=O)O; CNc1cccc(c1)C(O)=O | 3-(methylamino)benzoic acid |
| 36423 | OW5 CHEMBL4869028 |
1 | C28 H45 N5 O7 S | InChI=1S/C28H45N5O7S/c1-4 -5-6-8-20-10-12-21(13-11- 20)24-16-33(32-30-24)14-7 -9-22-17-39-25(27(35)26(2 2)34)18-40-41(37,38)31-28 (36)23(29)15-19(2)3/h10-1 3,16,19,22-23,25-27,34-35 H,4-9,14-15,17-18,29H2,1- 3H3,(H,31,36)/t22-,23+,25 -,26+,27-/m1/s1; APPGUXVTRIHQDP-GVPWJHIJSA-N |
CCCCCc1ccc(cc1)c2cn(nn2)CCCC3COC(C(C3O)O )COS(=O)(=O)NC(=O)C(CC(C)C)N; CCCCCc1ccc (cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([ C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N ; CCCCCc1ccc(cc1)c2cn(CCC[C@@H]3CO[C@H]( CO[S](=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H ](O)[C@H]3O)nn2; CCCCCc1ccc(cc1)c2cn(CCC [CH]3CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC (C)C)[CH](O)[CH]3O)nn2 |
[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 36424 | OW6 | 1 | C29 H23 Cl N2 O6 | InChI=1S/C29H23ClN2O6/c1- 38-29(37)26(15-19-6-11-21 (33)12-7-19)32-27(34)25-1 6-23(28(35)36)22-14-18(8- 13-24(22)31-25)3-2-17-4-9 -20(30)10-5-17/h2-14,16,2 6,33H,15H2,1H3,(H,32,34)( H,35,36)/b3-2+/t26-/m1/s1; CRHBWGFUPXDNDU-DXPVHIICSA-N |
O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(cc c2n1)/C=C/c1ccc(Cl)cc1)C(=O)O; COC(=O)C( Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)C=Cc 4ccc(cc4)Cl)C(=O)O; COC(=O)[CH](Cc1ccc(O )cc1)NC(=O)c2cc(C(O)=O)c3cc(C=Cc4ccc(Cl) cc4)ccc3n2; COC(=O)[C@@H](Cc1ccc(cc1)O)N C(=O)c2cc(c3cc(ccc3n2)/C=C/c4ccc(cc4)Cl) C(=O)O; COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O )c2cc(C(O)=O)c3cc(\C=C\c4ccc(Cl)cc4)ccc3 n2 |
6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid |
| 36425 | OW7 CHEMBL277420 ZINC000000403460 |
1 | C9 H10 O3 | InChI=1S/C9H10O3/c1-2-12- 8-5-3-4-7(6-8)9(10)11/h3- 6H,2H2,1H3,(H,10,11); DTFQMPQJMDEWKJ-UHFFFAOYSA-N |
C(c1cccc(c1)OCC)(O)=O; CCOc1cccc(c1)C(=O )O; CCOc1cccc(c1)C(O)=O |
3-ethoxybenzoic acid |
| 36426 | OW8 CHEMBL4587912 ZINC000040447804 |
2 | C8 H11 N3 O | InChI=1S/C8H11N3O/c1-9-8( 12)7-5-3-2-4-6(5)10-11-7/ h2-4H2,1H3,(H,9,12)(H,10, 11); TYDCMCXSYOEORK-UHFFFAOYSA-N |
CNC(=O)c1n[nH]c2CCCc12; CNC(=O)c1c2c([nH ]n1)CCC2 |
~{N}-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide |
| 36427 | OW9 CHEMBL4747003 |
1 | C16 H11 N3 O | InChI=1S/C16H11N3O/c1-11- 3-2-4-12(7-11)16(20)19-10 -13(8-17)14-9-18-6-5-15(1 4)19/h2-7,9-10H,1H3; TZVOWHPCVPGQMO-UHFFFAOYSA-N |
Cc1cccc(c1)C(=O)n2cc(c3c2ccnc3)C#N; Cc1c ccc(c1)C(=O)n2cc(C#N)c3cnccc23 |
1-(3-methylphenyl)carbonylpyrrolo[3,2-c]pyridine-3-carbonitrile |
| 36428 | OWA ZINC000217776345 |
1 | C8 H13 N O3 | InChI=1S/C8H13NO3/c1-9-5- 6(3-7(9)10)4-8(11)12-2/h6 H,3-5H2,1-2H3/t6-/m1/s1; CYBLSPQZUAXOJS-ZCFIWIBFSA-N |
COC(=O)C[C@@H]1CN(C)C(=O)C1; CN1CC(CC1=O )CC(=O)OC; C1(N(C)CC(CC(OC)=O)C1)=O; CN1 C[C@H](CC1=O)CC(=O)OC; COC(=O)C[CH]1CN(C )C(=O)C1 |
methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate |
| 36429 | OWB | 1 | C22 H23 N5 O2 | InChI=1S/C22H23N5O2/c1-15 (28)25-18-5-2-6-19(12-18) 29-21-13-20(17-4-3-9-24-1 4-17)26-22(27-21)16-7-10- 23-11-8-16/h2,5-8,10-13,1 7,24H,3-4,9,14H2,1H3,(H,2 5,28)/t17-/m1/s1; KUZQQGDXOKMLJL-QGZVFWFLSA-N |
CC(=O)Nc1cccc(Oc2cc(nc(n2)c3ccncc3)[CH]4 CCCNC4)c1; CC(=O)Nc1cccc(Oc2cc(nc(n2)c3c cncc3)[C@@H]4CCCNC4)c1; CC(=O)Nc1cccc(c1 )Oc2cc(nc(n2)c3ccncc3)C4CCCNC4; CC(=O)Nc 1cccc(c1)Oc2cc(nc(n2)c3ccncc3)[C@@H]4CCC NC4 |
~{N}-[3-[6-[(3~{R})-piperidin-3-yl]-2-pyridin-4-yl-pyrimidin-4-yl]oxyphenyl]ethanamide |
| 36430 | OWC | 3 | C20 H17 Cl N2 O | InChI=1S/C20H17ClN2O/c21- 16-7-3-6-14(11-16)18-9-4- 10-23(20(18)24)19-13-22-1 2-15-5-1-2-8-17(15)19/h1- 3,5-8,11-13,18H,4,9-10H2/ t18-/m0/s1; WATOKUBUEBNRTN-SFHVURJKSA-N |
Clc1cccc(c1)[CH]2CCCN(C2=O)c3cncc4ccccc3 4; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4cccc(c4 )Cl; Clc1cccc(c1)[C@@H]2CCCN(C2=O)c3cncc 4ccccc34; c1ccc2c(c1)cncc2N3CCC[C@H](C3= O)c4cccc(c4)Cl; Clc1cccc(c1)C1CCCN(c2cnc c3ccccc23)C1=O |
(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
| 36431 | OWD | 16 | C16 H11 Cl N2 O3 | InChI=1S/C16H11ClN2O3/c17 -11-3-6-13-14(8-11)18-9-1 5(19-13)22-12-4-1-10(2-5- 12)7-16(20)21/h1-6,8-9H,7 H2,(H,20,21); SPHMJKAQMWKCCP-UHFFFAOYSA-N |
OC(=O)Cc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1; c2 (cnc1cc(Cl)ccc1n2)Oc3ccc(CC(O)=O)cc3; c1 cc(ccc1CC(=O)O)Oc2cnc3cc(ccc3n2)Cl |
{4-[(6-chloroquinoxalin-2-yl)oxy]phenyl}acetic acid |
| 36432 | OWF | 0 | C4 H8 N2 O4 | InChI=1S/C4H8N2O4/c5-1(4( 9)10)2(7)3(6)8/h1-2,7H,5H 2,(H2,6,8)(H,9,10)/t1-,2+ /m1/s1; VQTLPSCRBFYDNX-NCGGTJAESA-N |
C(C(C(=O)N)O)(C(=O)O)N; N[C@H]([C@H](O)C (N)=O)C(O)=O; NC(=O)C(O)C(N)C(O)=O; [C@@ H]([C@@H](C(=O)N)O)(C(=O)O)N; N[CH]([CH] (O)C(N)=O)C(O)=O |
(3S)-3-hydroxy-D-asparagine |
| 36433 | OWG | 1 | C33 H38 N6 O6 | InChI=1S/C33H38N6O6/c1-41 -24-9-6-20(7-10-24)30-25- 16-27(43-3)26(42-2)15-22( 25)18-37-39(30)29(40)11-8 -21-12-19(14-28(44-4)31(2 1)45-5)13-23-17-36-33(35) 38-32(23)34/h6-7,9-10,12, 14-17,30,37H,8,11,13,18H2 ,1-5H3,(H4,34,35,36,38)/t 30-/m0/s1; LGRHLMMHEUVVCK-PMERELPUSA-N |
COc1ccc(cc1)[CH]2N(NCc3cc(OC)c(OC)cc23)C (=O)CCc4cc(Cc5cnc(N)nc5N)cc(OC)c4OC; COc 1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc (cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC; COc1ccc (cc1)C2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC )OC)Cc5cnc(nc5N)N)OC)OC; COc1ccc(cc1)[C@ @H]2N(NCc3cc(OC)c(OC)cc23)C(=O)CCc4cc(Cc 5cnc(N)nc5N)cc(OC)c4OC; c5(c(CCC(N1C(c2c (CN1)cc(OC)c(OC)c2)c3ccc(cc3)OC)=O)cc(Cc 4c(nc(N)nc4)N)cc5OC)OC |
3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydrophthalazin-2(1H)-yl]propan-1-one |
| 36434 | OWH | 5 | C7 H8 N2 S | InChI=1S/C7H8N2S/c1-8-7(1 0)6-3-2-4-9-5-6/h2-5H,1H3 ,(H,8,10); FDIVIVQWGKEWIT-UHFFFAOYSA-N |
CNC(=S)c1cccnc1 | ~{N}-methylpyridine-3-carbothioamide |
| 36435 | OWI CHEMBL3794629 ZINC000205637096 |
1 | C32 H48 N4 O4 S2 | InChI=1S/C32H48N4O4S2/c1- 27-12-16-31(17-13-27)41(3 7,38)35-22-8-20-34(26-29- 10-6-5-7-11-29)21-9-23-36 (25-28(2)24-35)42(39,40)3 2-18-14-30(15-19-32)33(3) 4/h12-19,29H,2,5-11,20-26 H2,1,3-4H3; JWLBLCMSJYGCFH-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2 )S(=O)(=O)c3ccc(cc3)N(C)C)CC4CCCCC4; CN( C)c1ccc(cc1)[S](=O)(=O)N2CCCN(CCCN(CC(=C )C2)[S](=O)(=O)c3ccc(C)cc3)CC4CCCCC4 |
4-[[9-(cyclohexylmethyl)-3-methylidene-5-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]sulfonyl]-~{N},~{N}-dimethyl-aniline |
| 36436 | OWJ ZINC000084726451 |
1 | C32 H32 N6 O3 | InChI=1S/C32H32N6O3/c1-19 -11-20(2)13-24(12-19)29-2 6-8-6-5-7-23(26)18-36-38( 29)28(39)10-9-22-14-21(16 -27(40-3)30(22)41-4)15-25 -17-35-32(34)37-31(25)33/ h5-14,16-18,29H,15H2,1-4H 3,(H4,33,34,35,37)/b10-9+ /t29-/m0/s1; YJNMFIWPSJEFDR-MOGHOSLNSA-N |
Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C /c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C; COc1cc (Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4ccccc4[ CH]3c5cc(C)cc(C)c5)c1OC; Cc1cc(cc(c1)C2c 3ccccc3C=NN2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5c nc(nc5N)N)C; COc1cc(Cc2cnc(N)nc2N)cc(\C= C\C(=O)N3N=Cc4ccccc4[C@@H]3c5cc(C)cc(C)c 5)c1OC; COc4cc(cc([C@H]=[C@H]C(N1C(c2c(C =N1)cccc2)c3cc(cc(c3)C)C)=O)c4OC)Cc5cnc( N)nc5N |
(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,5-dimethylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
| 36437 | OWK | 1 | C8 H15 B18 Co N2 O4 S2 | InChI=1S/2C4H8B9NO2S.Co/c 1-4(2-3-17(14,15)16)9-6-1 2(9)8-5-7-10(4)11(9,12)13 (7,8,10)12;14-17(15,16)2- 1-4-3-10-8-7-6-11(4,7)9-1 2(10,5-4)13(8,9)10;/h1-3H 2,(H2,14,15,16);3,6H,1-2H 2,(H2,14,15,16);/q+2;;; VTEZHESIJASILH-UHFFFAOYSA-N |
C[C++]1(CC[S](N)(=O)=O)[B]23B4B5B6[B]247 [B-]38[B]679B%10[B]189[Co]5%10%11%12B%13 [C++]%14(C[B]%11%15%16B%17B%18[B][B-]%14 %18B%19[B]%15%17[B]%12%13%16%19)CC[S](N) (=O)=O; [B]1B2B13B4B56B2B578B649[Co]7124 567(B9[C+]31(C82)CCS(=O)(=O)N)B1B2B38B22 9B1B212B93B41(B52)[C+]68(C7)CCS(=O)(=O)N |
Metala-Carborane di-ethyl-sulfonamide |
| 36438 | OWL CHEMBL74371 DB08331 |
0 | C18 H17 N7 | InChI=1S/C18H17N7/c1-5-15 (24-17-19-9-10-20-17)6-2- 13(1)23-14-3-7-16(8-4-14) 25-18-21-11-12-22-18/h1-1 2,23H,(H2,19,20,24)(H2,21 ,22,25); JHMXUERQMCJRHG-UHFFFAOYSA-N |
n1ccnc1Nc4ccc(Nc3ccc(Nc2nccn2)cc3)cc4; c 1cc(ccc1Nc2ccc(cc2)Nc3[nH]ccn3)Nc4[nH]cc n4; [nH]1ccnc1Nc2ccc(Nc3ccc(Nc4[nH]ccn4) cc3)cc2 |
N-1H-imidazol-2-yl-N'-[4-(1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
| 36439 | OWM | 1 | C29 H32 N6 O5 | InChI=1S/C29H32N6O5/c1-37 -22-12-19-15-33-35(26(17- 5-6-17)21(19)13-23(22)38- 2)25(36)8-7-18-9-16(11-24 (39-3)27(18)40-4)10-20-14 -32-29(31)34-28(20)30/h7- 9,11-15,17,26H,5-6,10H2,1 -4H3,(H4,30,31,32,34)/b8- 7+/t26-/m1/s1; WEOHMFQXNAIIAE-DIJOXEGBSA-N |
COc1cc(cc(c1OC)C=CC(=O)N2C(c3cc(c(cc3C=N 2)OC)OC)C4CC4)Cc5cnc(nc5N)N; COc1cc(cc(c 1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC )OC)C4CC4)Cc5cnc(nc5N)N; c1(nc(N)ncc1Cc2 cc(c(c(c2)OC)OC)[C@H]=CC(=O)N3C(c4c(C=N3 )cc(c(c4)OC)OC)C5CC5)N; COc1cc2C=NN([CH] (C3CC3)c2cc1OC)C(=O)C=Cc4cc(Cc5cnc(N)nc5 N)cc(OC)c4OC; COc1cc2C=NN([C@H](C3CC3)c2 cc1OC)C(=O)\C=C\c4cc(Cc5cnc(N)nc5N)cc(OC )c4OC |
(2E)-1-[(1R)-1-cyclopropyl-6,7-dimethoxyphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one |
| 36440 | OWN | 1 | C17 H20 N2 O3 | InChI=1S/C17H20N2O3/c1-3- 16(20)19-9-8-18(11-12-4-5 -12)15-10-13(17(21)22-2)6 -7-14(15)19/h3,6-7,10,12H ,1,4-5,8-9,11H2,2H3; WUQPUFRQBUEDIV-UHFFFAOYSA-N |
COC(=O)c1ccc2N(CCN(CC3CC3)c2c1)C(=O)C=C; COC(=O)c1ccc2c(c1)N(CCN2C(=O)C=C)CC3CC3 |
methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate |
| 36441 | OWO CHEMBL5397740 |
2 | C18 H16 F N5 | InChI=1S/C18H16FN5/c1-10- 15(11(2)24(3)23-10)14-6-4 -5-12(16(14)19)13-7-8-20- 18-17(13)21-9-22-18/h4-9H ,1-3H3,(H,20,21,22); RPWDTXPUVLCSDW-UHFFFAOYSA-N |
Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c3 4; Cc1c(c(n(n1)C)C)c2cccc(c2F)c3ccnc4c3[ nH]cn4 |
7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine |
| 36442 | OWP | 1 | C31 H32 N6 O3 | InChI=1S/C31H32N6O3/c1-39 -27-17-21(15-24-18-34-31( 33)36-30(24)32)14-22(29(2 7)40-2)12-13-28(38)37-26( 16-20-8-4-3-5-9-20)25-11- 7-6-10-23(25)19-35-37/h3- 14,17-18,26,35H,15-16,19H 2,1-2H3,(H4,32,33,34,36)/ b13-12+/t26-/m0/s1; OSCKDSROOCELQQ-JYSHFMIGSA-N |
COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc 3CN2)Cc4ccccc4)Cc5cnc(nc5N)N; COc1cc(Cc2 cnc(N)nc2N)cc(C=CC(=O)N3NCc4ccccc4[CH]3C c5ccccc5)c1OC; COc1cc(cc(c1OC)C=CC(=O)N2 C(c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N; c 1(nc(N)ncc1Cc2cc(c(c(c2)OC)OC)\C=C\C(N3C (c4ccccc4CN3)Cc5ccccc5)=O)N; COc1cc(Cc2c nc(N)nc2N)cc(\C=C\C(=O)N3NCc4ccccc4[C@@H ]3Cc5ccccc5)c1OC |
(2E)-1-[(1S)-1-benzylphthalazin-2(1H)-yl]-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}prop-2-en-1-one |
| 36443 | OWQ CHEMBL4755149 |
5 | C20 H20 N8 O | InChI=1S/C20H20N8O/c1-29- 17-4-2-16(3-5-17)28-19-18 (25-26-28)12-22-20(24-19) 23-14-8-11-27(13-14)15-6- 9-21-10-7-15/h2-7,9-10,12 ,14H,8,11,13H2,1H3,(H,22, 23,24)/t14-/m1/s1; GDSSVNNRCKMPPZ-CQSZACIVSA-N |
COc1ccc(cc1)n2c3c(cnc(n3)N[C@@H]4CCN(C4) c5ccncc5)nn2; COc1ccc(cc1)n2nnc3cnc(N[CH ]4CCN(C4)c5ccncc5)nc23; COc1ccc(cc1)n2nn c3cnc(N[C@@H]4CCN(C4)c5ccncc5)nc23; COc1 ccc(cc1)n2c3c(cnc(n3)NC4CCN(C4)c5ccncc5) nn2 |
3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| 36444 | OWR | 0 | C16 H17 N2 O6 P | InChI=1S/C16H17N2O6P/c19- 14-7-16(24-15(14)8-23-25( 20,21)22)18-9-17-12-5-10- 3-1-2-4-11(10)6-13(12)18/ h1-6,9,14-16,19H,7-8H2,(H 2,20,21,22)/t14-,15+,16+/ m0/s1; HNXFPKXDQSBACZ-ARFHVFGLSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3cc 4ccccc4cc23; O=P(O)(O)OCC1OC(CC1O)n1cnc2 cc3ccccc3cc21; c1ccc2cc3c(cc2c1)ncn3[C@H ]4C[C@@H]([C@H](O4)COP(=O)(O)O)O; O[C@H] 1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3cc4 ccccc4cc23; c1ccc2cc3c(cc2c1)ncn3C4CC(C( O4)COP(=O)(O)O)O |
1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole |
| 36445 | OWS ZINC000043011306 |
1 | C31 H30 N6 O3 | InChI=1S/C31H30N6O3/c1-19 -8-10-21(11-9-19)28-25-7- 5-4-6-23(25)18-35-37(28)2 7(38)13-12-22-14-20(16-26 (39-2)29(22)40-3)15-24-17 -34-31(33)36-30(24)32/h4- 14,16-18,28H,15H2,1-3H3,( H4,32,33,34,36)/b13-12+/t 28-/m0/s1; YQJQZCMRSICFNE-DTQJJDMLSA-N |
COc1cc(Cc2cnc(N)nc2N)cc(C=CC(=O)N3N=Cc4c cccc4[CH]3c5ccc(C)cc5)c1OC; Cc1ccc(cc1)[ C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC )OC)Cc5cnc(nc5N)N; C2(c1ccccc1C=NN2C([C@ H]=[C@H]c3cc(cc(c3OC)OC)Cc4c(nc(N)nc4)N) =O)c5ccc(C)cc5; Cc1ccc(cc1)C2c3ccccc3C=N N2C(=O)C=Cc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N; COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C(=O)N3N=C c4ccccc4[C@@H]3c5ccc(C)cc5)c1OC |
(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(4-methylphenyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
| 36446 | OWT | 1 | C45 H55 F N10 O13 | InChI=1S/C45H55FN10O13/c1 -28(57)48-24-31-26-56(45( 66)69-31)30-11-12-36(34(4 6)22-30)53-14-16-54(17-15 -53)39(60)27-68-21-20-67- 19-18-55-25-29(51-52-55)2 3-49-44(65)35(50-43(64)33 -7-5-10-38(59)41(33)62)8- 2-3-13-47-42(63)32-6-4-9- 37(58)40(32)61/h4-7,9-12, 22,25,31,35,58-59,61-62H, 2-3,8,13-21,23-24,26-27H2 ,1H3,(H,47,63)(H,48,57)(H ,49,65)(H,50,64)/t31?,35- /m0/s1; MCQYNUWYVGRUPW-IKAUJVHPSA-N |
CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CCN( CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)[C@H](CC CCNC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O; CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C( =O)COCCOCCn4cc(CNC(=O)[CH](CCCCNC(=O)c5c ccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2; CC(=O)NCC1CN(C(=O)O1)c2ccc(N3CCN(CC3)C( =O)COCCOCCn4cc(CNC(=O)[C@H](CCCCNC(=O)c5 cccc(O)c5O)NC(=O)c6cccc(O)c6O)nn4)c(F)c2 ; CC(=O)NCC1CN(C(=O)O1)c2ccc(c(c2)F)N3CC N(CC3)C(=O)COCCOCCn4cc(nn4)CNC(=O)C(CCCC NC(=O)c5cccc(c5O)O)NC(=O)c6cccc(c6O)O |
~{N}-[(5~{S})-6-azanyl-5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-6-oxidanylidene-hexyl]-2,3-bis(oxidanyl)benzamide |
| 36447 | OWU CHEMBL5435420 |
2 | C27 H33 N13 O9 S | InChI=1S/C27H33N13O9S/c28 -22-16-24(33-9-31-22)39(1 1-35-16)26-20(44)19(43)13 (49-26)7-38-4-1-2-14-37-1 7-23(29)32-10-34-25(17)40 (14)27-21(45)18(42)12(48- 27)6-36-50(46,47)5-3-30-1 5(41)8-38/h9-13,18-21,26- 27,36,42-45H,3-8H2,(H,30, 41)(H2,28,31,33)(H2,29,32 ,34)/t12-,13-,18-,19-,20- ,21-,26-,27-/m1/s1; YJUQOPPJKJBQQN-GMIOVBLFSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CN4CC#Cc5nc6c(ncnc6n5[C@H]7[C@@H] ([C@@H]([C@H](O7)CNS(=O)(=O)CCNC(=O)C4)O )O)N)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](C N4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CN[S](= O)(=O)CCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[C H]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN4C C#Cc5nc6c(N)ncnc6n5[C@@H]7O[C@H](CN[S](= O)(=O)CCNC(=O)C4)[C@@H](O)[C@H]7O)[C@@H] (O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3 )CN4CC#Cc5nc6c(ncnc6n5C7C(C(C(O7)CNS(=O) (=O)CCNC(=O)C4)O)O)N)O)O)N |
(1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-20,20-bis(oxidanylidene)-26-oxa-20$l^{6}-thia-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3,5,7,9-tetraen-11-yn-16-one |
| 36448 | OWV | 1 | C29 H36 N6 O3 | InChI=1S/C29H36N6O3/c1-5- 19(6-2)26-23-10-8-7-9-21( 23)17-33-35(26)25(36)12-1 1-20-13-18(15-24(37-3)27( 20)38-4)14-22-16-32-29(31 )34-28(22)30/h7-13,15-16, 19,26,33H,5-6,14,17H2,1-4 H3,(H4,30,31,32,34)/b12-1 1+/t26-/m0/s1; NVYBVAIPWQNGSG-GIPLCNRYSA-N |
c3(\C=C\C(N2C(c1ccccc1CN2)C(CC)CC)=O)cc( cc(c3OC)OC)Cc4c(nc(N)nc4)N; CCC(CC)[C@H] 1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)C c4cnc(nc4N)N; CCC(CC)C1c2ccccc2CNN1C(=O) C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N; CCC(CC )[C@@H]1N(NCc2ccccc12)C(=O)/C=C/c3cc(Cc4 cnc(N)nc4N)cc(OC)c3OC; CCC(CC)[CH]1N(NCc 2ccccc12)C(=O)C=Cc3cc(Cc4cnc(N)nc4N)cc(O C)c3OC |
(2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(pentan-3-yl)-3,4-dihydrophthalazin-2(1H)-yl]prop-2-en-1-one |
| 36449 | OWW | 1 | C28 H26 F3 N3 O4 | InChI=1S/C28H26F3N3O4/c1- 19(34(37)27(32)36)10-11-2 0-6-5-9-23(18-20)26(35)33 -17-16-25(21-7-3-2-4-8-21 )22-12-14-24(15-13-22)38- 28(29,30)31/h2-9,12-15,18 -19,25,37H,16-17H2,1H3,(H 2,32,36)(H,33,35)/t19-,25 +/m1/s1; HQXPQGGUDYBGKG-CLOONOSVSA-N |
C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccc cc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O; C[CH ](C#Cc1cccc(c1)C(=O)NCC[CH](c2ccccc2)c3c cc(OC(F)(F)F)cc3)N(O)C(N)=O; CC(C#Cc1ccc c(c1)C(=O)NCCC(c2ccccc2)c3ccc(cc3)OC(F)( F)F)N(C(=O)N)O; C[C@H](C#Cc1cccc(c1)C(=O )NCC[C@@H](c2ccccc2)c3ccc(OC(F)(F)F)cc3) N(O)C(N)=O |
3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide |
| 36450 | OWX | 1 | C16 H16 Cl N3 O | InChI=1S/C16H16ClN3O/c17- 12-4-1-3-11(7-12)8-16(21) 20-15-10-18-9-14-13(15)5- 2-6-19-14/h1,3-4,7,9-10,1 9H,2,5-6,8H2,(H,20,21); CVTLEGSZWVPMPP-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2cncc3NCCCc23)c1; Clc1c ccc(c1)CC(=O)Nc1cncc2NCCCc12; c1cc(cc(c1 )Cl)CC(=O)Nc2cncc3c2CCCN3 |
2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide |
| 36451 | OWY | 2 | C31 H39 N3 O2 | InChI=1S/C31H39N3O2/c1-5- 32(6-2)31(36)27-17-15-26( 16-18-27)30(28-13-10-14-2 9(35)19-28)34-21-23(3)33( 20-24(34)4)22-25-11-8-7-9 -12-25/h7-19,23-24,30,35H ,5-6,20-22H2,1-4H3/t23-,2 4+,30-/m1/s1; PQMGDEIHRXQPCQ-FSGGQHMVSA-N |
CCN(CC)C(=O)c1ccc(cc1)[C@H](c2cccc(c2)O) N3C[C@H](N(C[C@@H]3C)Cc4ccccc4)C; CCN(CC )C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(C[C @@H]2C)Cc3ccccc3)c4cccc(O)c4; CCN(CC)C(c 1ccc(cc1)C(c2cccc(c2)O)N3C(CN(C(C3)C)Cc4 ccccc4)C)=O; CCN(CC)C(=O)c1ccc(cc1)C(c2c ccc(c2)O)N3CC(N(CC3C)Cc4ccccc4)C; CCN(CC )C(=O)c1ccc(cc1)[CH](N2C[CH](C)N(C[CH]2C )Cc3ccccc3)c4cccc(O)c4 |
4-[(R)-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamide |
| 36452 | OWZ ZINC000032012607 |
4 | C11 H14 Cl N O | InChI=1S/C11H14ClNO/c1-8- 7-14-11(6-13-8)9-4-2-3-5- 10(9)12/h2-5,8,11,13H,6-7 H2,1H3/t8-,11-/m0/s1; MCDIIVJZXXFTDP-KWQFWETISA-N |
C[C@H]1CO[C@@H](CN1)c2ccccc2Cl; CC1COC(C N1)c2ccccc2Cl; C[CH]1CO[CH](CN1)c2ccccc2 Cl |
(2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine |
| 36453 | OX CHEMBL1098659 DB09145 |
0 | O | InChI=1/H2O/h1H2; XLYOFNOQVPJJNP-UHFFFAOYAF |
O; [O] | BOUND OXYGEN |
| 36454 | OX0 | 14 | C25 H23 Cl N4 O | InChI=1S/C25H23ClN4O/c1-2 -18-4-3-5-20(14-18)15-28- 12-10-23-22(17-28)24(31)3 0(25-27-11-13-29(23)25)16 -19-6-8-21(26)9-7-19/h1,3 -9,14H,10-13,15-17H2; ZVMMRPKNIIGQEN-UHFFFAOYSA-N |
Clc1ccc(cc1)CN1C2=NCCN2C=2CCN(Cc3cccc(C# C)c3)CC=2C1=O; Clc1ccc(CN2C(=O)C3=C(CCN( Cc4cccc(c4)C#C)C3)N5CCN=C25)cc1; C#Cc1cc cc(c1)CN2CCC3=C(C2)C(=O)N(C4=NCCN34)Cc5c cc(cc5)Cl |
(10R)-4-[(4-chlorophenyl)methyl]-7-[(3-ethynylphenyl)methyl]-2,4,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one |
| 36455 | OX1 DB08332 |
2 | C18 H16 O4 | InChI=1S/C18H16O4/c1-17-1 2-6-2-4-8-14(12)18(22-21- 17,11-10-16(19)20)15-9-5- 3-7-13(15)17/h2-9H,10-11H 2,1H3,(H,19,20)/t17-,18+; IOWYALZFEJOVHO-HDICACEKSA-N |
CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O; C [C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24 ; C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4 ccccc24; O=C(O)CCC24OOC(c1ccccc12)(c3c4c ccc3)C |
[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE |
| 36456 | OX2 CHEMBL540929 DB03354 ZINC000016051658 |
1 | C9 H14 N2 O6 | InChI=1S/C9H14N2O6/c1-3-1 0-11-9(16-3)8-7(15)6(14)5 (13)4(2-12)17-8/h4-8,12-1 5H,2H2,1H3/t4-,5-,6+,7-,8 -/m1/s1; HCSFWJQLIPWUFZ-JAJWTYFOSA-N |
Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H ](O2)CO)O)O)O; Cc1oc(nn1)[CH]2O[CH](CO)[ CH](O)[CH](O)[CH]2O; Cc1oc(nn1)[C@@H]2O[ C@H](CO)[C@@H](O)[C@H](O)[C@H]2O; Cc1nnc (o1)C2C(C(C(C(O2)CO)O)O)O; OC1C(O)C(O)C( OC1CO)c2nnc(o2)C |
(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol; 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE |
| 36457 | OX3 CHEMBL253951 DB08333 ZINC000038624499 |
4 | C14 H17 N O3 | InChI=1S/C14H17NO3/c16-13 -8-6-11(7-9-13)10-15-18-1 4(17)12-4-2-1-3-5-12/h6-1 0,12,16H,1-5H2/b15-10+; YWZBYSBZDQWXGQ-XNTDXEJSSA-N |
Oc1ccc(cc1)\C=N\OC(=O)C2CCCCC2; Oc1ccc(c c1)C=NOC(=O)C2CCCCC2; O=C(O\N=C\c1ccc(O) cc1)C2CCCCC2; c1cc(ccc1C=NOC(=O)C2CCCCC2 )O |
4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME |
| 36458 | OX4 DB08334 ZINC000016052313 |
3 | C14 H16 F N O3 | InChI=1S/C14H16FNO3/c15-1 2-8-10(6-7-13(12)17)9-16- 19-14(18)11-4-2-1-3-5-11/ h6-9,11,17H,1-5H2/b16-9+; NPVNUGQNVVMJJP-CXUHLZMHSA-N |
c1cc(c(cc1\C=N\OC(=O)C2CCCCC2)F)O; O=C(O \N=C\c1ccc(O)c(F)c1)C2CCCCC2; Oc1ccc(\C= N\OC(=O)C2CCCCC2)cc1F; Oc1ccc(C=NOC(=O)C 2CCCCC2)cc1F; c1cc(c(cc1C=NOC(=O)C2CCCCC 2)F)O |
3-FLUORO-4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME |
| 36459 | OX5 CHEMBL256315 DB08335 ZINC000034633620 |
4 | C13 H17 N O3 | InChI=1S/C13H17NO3/c1-13( 2,3)8-12(16)17-14-9-10-4- 6-11(15)7-5-10/h4-7,9,15H ,8H2,1-3H3/b14-9+; IRHAIEVALGHVLW-NTEUORMPSA-N |
CC(C)(C)CC(=O)ON=Cc1ccc(cc1)O; CC(C)(C)C C(=O)ON=Cc1ccc(O)cc1; CC(C)(C)CC(=O)O/N= C/c1ccc(cc1)O; CC(C)(C)CC(=O)O/N=C/c1ccc (O)cc1; O=C(O\N=C\c1ccc(O)cc1)CC(C)(C)C |
4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME |
| 36460 | OX6 DB08336 ZINC000053683093 |
1 | C11 H19 N3 O3 | InChI=1S/C11H19N3O3/c1-7( 2)8(9-14-12-6-16-9)13-10( 15)17-11(3,4)5/h6-8H,1-5H 3,(H,13,15)/t8-/m1/s1; PARUDDGQWSBIIO-MRVPVSSYSA-N |
CC(C)C(c1nnco1)NC(=O)OC(C)(C)C; CC(C)[CH ](NC(=O)OC(C)(C)C)c1ocnn1; O=C(OC(C)(C)C )NC(c1nnco1)C(C)C; CC(C)[C@H](c1nnco1)NC (=O)OC(C)(C)C; CC(C)[C@@H](NC(=O)OC(C)(C )C)c1ocnn1 |
TERT-BUTYL [(1R)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE |
| 36461 | OX7 DB08337 ZINC000053683095 |
1 | C11 H19 N3 O3 | InChI=1S/C11H19N3O3/c1-7( 2)8(9-14-12-6-16-9)13-10( 15)17-11(3,4)5/h6-8H,1-5H 3,(H,13,15)/t8-/m0/s1; PARUDDGQWSBIIO-QMMMGPOBSA-N |
CC(C)C(c1nnco1)NC(=O)OC(C)(C)C; CC(C)[CH ](NC(=O)OC(C)(C)C)c1ocnn1; O=C(OC(C)(C)C )NC(c1nnco1)C(C)C; CC(C)[C@H](NC(=O)OC(C )(C)C)c1ocnn1; CC(C)[C@@H](c1nnco1)NC(=O )OC(C)(C)C |
TERT-BUTYL [(1S)-2-METHYL-1-(1,3,4-OXADIAZOL-2-YL)PROPYL]CARBAMATE |
| 36462 | OX8 ZINC000005133869 |
5 | C18 H32 N4 O6 | InChI=1S/C18H32N4O6/c23-1 5-7-10-18(26)22(28)14-6-2 -4-12-20-16(24)8-9-17(25) 21(27)13-5-1-3-11-19-15/h 27-28H,1-14H2,(H,19,23)(H ,20,24); GTADQMQBQBOJIO-UHFFFAOYSA-N |
ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1 =O; C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O )N(CC1)O)O |
1,12-bis(oxidanyl)-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone |
| 36463 | OX9 CHEMBL287542 DB19672 ZINC000004181896 |
2 | C19 H11 Cl2 I2 N O3 | InChI=1S/C19H11Cl2I2NO3/c 20-10-1-4-13(5-2-10)27-17 -6-3-12(9-15(17)21)24-19( 26)14-7-11(22)8-16(23)18( 14)25/h1-9,25H,(H,24,26); NEMNPWINWMHUMR-UHFFFAOYSA-N |
c1cc(ccc1Oc2ccc(cc2Cl)NC(=O)c3cc(cc(c3O) I)I)Cl; Oc1c(I)cc(I)cc1C(=O)Nc2ccc(Oc3cc c(Cl)cc3)c(Cl)c2 |
~{N}-[3-chloranyl-4-(4-chloranylphenoxy)phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide; rafoxanide |
| 36464 | OXA CHEMBL545 DB00898 |
0 | C2 H5 O | InChI=1/C2H6O/c1-2-3/h3H, 2H2,1H3; LFQSCWFLJHTTHZ-UHFFFAOYAB |
OCC; CC[O] | OXYDIMETHYLENE GROUP |
| 36465 | OXB ZINC000107064426 |
1 | C16 H26 N2 O3 S | InChI=1S/C16H26N2O3S/c1-1 2-5-6-13(2)15(9-12)16-10- 18(14(3)11-21-16)7-4-8-22 (17,19)20/h5-6,9,14,16H,4 ,7-8,10-11H2,1-3H3,(H2,17 ,19,20)/t14-,16-/m0/s1; RPZOSPHGNMRGDR-HOCLYGCPSA-N |
Cc1ccc(c(c1)C2CN(C(CO2)C)CCCS(=O)(=O)N)C ; Cc1ccc(c(c1)[C@@H]2CN([C@H](CO2)C)CCCS (=O)(=O)N)C; C[C@H]1CO[C@@H](CN1CCC[S](N )(=O)=O)c2cc(C)ccc2C; C[CH]1CO[CH](CN1CC C[S](N)(=O)=O)c2cc(C)ccc2C |
3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide |
| 36466 | OXC ZINC000001572549 |
3 | C4 H5 N3 O4 | InChI=1S/C4H5N3O4/c8-2(9) 1-5-3(10)7-4(11)6-1/h1H,( H,8,9)(H3,5,6,7,10,11); IRFZLMWJJPULRF-UHFFFAOYSA-N |
C1(NC(=O)NC(=O)N1)C(=O)O; OC(=O)C1NC(=O) NC(=O)N1; O=C1NC(C(=O)O)NC(=O)N1 |
OXONIC ACID |
| 36467 | OXD CHEMBL146755 DB03902 ZINC000006021239 |
55 | C2 H2 O4 | InChI=1S/C2H2O4/c3-1(4)2( 5)6/h(H,3,4)(H,5,6); MUBZPKHOEPUJKR-UHFFFAOYSA-N |
OC(=O)C(O)=O; O=C(O)C(=O)O; C(=O)(C(=O)O )O |
OXALIC ACID |
| 36468 | OXE CHEMBL45005 ZINC000000968282 |
7 | C8 H10 | InChI=1S/C8H10/c1-7-5-3-4 -6-8(7)2/h3-6H,1-2H3; CTQNGGLPUBDAKN-UHFFFAOYSA-N |
Cc1ccccc1C; c1cccc(c1C)C | ORTHO-XYLENE |
| 36469 | OXF CHEMBL1883966 ZINC000022940589 |
1 | C21 H28 N2 O3 | InChI=1S/C21H28N2O3/c24-1 4-16-25-15-13-22-9-11-23( 12-10-22)18-19-5-4-8-21(1 7-19)26-20-6-2-1-3-7-20/h 1-8,17,24H,9-16,18H2; SHDFUNGIHDOLQM-UHFFFAOYSA-N |
OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2; c1 ccc(cc1)Oc2cccc(c2)CN3CCN(CC3)CCOCCO |
2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol; ZK-756326 |
| 36470 | OXG | 9 | C5 H3 N5 O2 | InChI=1S/C5H3N5O2/c6-4-8- 2-1(3(11)10-4)7-5(12)9-2/ h(H3,6,8,9,10,11,12); UBKVUFQGVWHZIR-UHFFFAOYSA-N |
NC1=NC2=NC(=O)N=C2C(=O)N1; O=C1C2=NC(=O) N=C2N=C(N1)N; C12=NC(=O)N=C1N=C(NC2=O)N |
8-OXOGUANINE |
| 36471 | OXI CHEMBL416755 DB13627 ZINC000000001875 |
0 | C13 H11 N O5 | InChI=1S/C13H11NO5/c1-2-1 4-5-8(13(16)17)12(15)7-3- 10-11(4-9(7)14)19-6-18-10 /h3-5H,2,6H2,1H3,(H,16,17 ); KYGZCKSPAKDVKC-UHFFFAOYSA-N |
CCN1C=C(C(=O)c2c1cc3c(c2)OCO3)C(=O)O; O= C1c3c(N(C=C1C(=O)O)CC)cc2OCOc2c3; CCN1C= C(C(O)=O)C(=O)c2cc3OCOc3cc12 |
OXOLINIC ACID |
| 36472 | OXJ ZINC000083418805 |
0 | C10 H9 F6 N | InChI=1S/C10H9F6N/c1-17-5 -6-2-7(9(11,12)13)4-8(3-6 )10(14,15)16/h2-4,17H,5H2 ,1H3; ADTNSTHKMIPKIJ-UHFFFAOYSA-N |
CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F | 1-[3,5-bis(trifluoromethyl)phenyl]-N-methylmethanamine |
| 36473 | OXK ZINC000008551141 |
4 | C23 H36 N7 O19 P3 S | InChI=1S/C23H36N7O19P3S/c 1-23(2,16(33)19(34)26-4-3 -12(31)25-5-6-53-22(37)21 (35)36)8-46-52(43,44)49-5 1(41,42)45-7-11-15(48-50( 38,39)40)14(32)20(47-11)3 0-10-29-13-17(24)27-9-28- 18(13)30/h9-11,14-16,20,3 2-33H,3-8H2,1-2H3,(H,25,3 1)(H,26,34)(H,35,36)(H,41 ,42)(H,43,44)(H2,24,27,28 )(H2,38,39,40)/t11-,14-,1 5-,16+,20-/m1/s1; QVXMZFTWJVBUHP-IBOSZNHHSA-N |
CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C(O)=O; CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H] 1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cn c3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC (=O)C(O)=O; CC(C)(COP(=O)(O)OP(=O)(O)OCC 1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C( C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O; O=C(O)C( =O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O )OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3 OP(=O)(O)O; CC(C)(CO[P@](=O)(O)O[P@@](=O )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(= O)NCCSC(=O)C(=O)O)O |
OXALYL-COENZYME A |
| 36474 | OXL | 708 | C2 O4 | InChI=1S/C2H2O4/c3-1(4)2( 5)6/h(H,3,4)(H,5,6)/p-2; MUBZPKHOEPUJKR-UHFFFAOYSA-L |
[O-]C(=O)C([O-])=O; C(=O)(C(=O)[O-])[O-] | OXALATE ION |
| 36475 | OXM CHEMBL15976 DB03940 ZINC000004658565 |
0 | C2 H3 N O3 | InChI=1S/C2H3NO3/c3-1(4)2 (5)6/h(H2,3,4)(H,5,6); SOWBFZRMHSNYGE-UHFFFAOYSA-N |
C(=O)(C(=O)O)N; O=C(N)C(=O)O; NC(=O)C(O) =O |
OXAMIC ACID |
| 36476 | OXN CHEMBL1235043 ZINC000058633062 |
19 | C34 H62 O11 | InChI=1S/C34H62O11/c1-33( 2,3)30-34(4,5)31-6-8-32(9 -7-31)45-29-28-44-27-26-4 3-25-24-42-23-22-41-21-20 -40-19-18-39-17-16-38-15- 14-37-13-12-36-11-10-35/h 6-9,35H,10-30H2,1-5H3; IVKNZCBNXPYYKL-UHFFFAOYSA-N |
O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCC OCCOCCOCCOCCOCCOCCO; CC(C)(C)CC(C)(C)c1c cc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO; CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCC OCCOCCOCCOCCO)cc1 |
OXTOXYNOL-10; ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL); TRITON X-100 |
| 36477 | OXO CHEMBL1098659 DB09145 |
0 | O | InChI=1/H2O/h1H2; XLYOFNOQVPJJNP-UHFFFAOYAF |
O; [O] | OXO GROUP |
| 36478 | OXP DB02005 |
7 | C5 H6 O3 | InChI=1S/C5H6O3/c1-2-3-4( 6)5(7)8/h2-3H,1H3,(H,7,8) /b3-2-; IWARWSDDJHGZOW-IHWYPQMZSA-N |
C\C=C/C(=O)C(O)=O; CC=CC(=O)C(O)=O; O=C( \C=C/C)C(=O)O; C\C=C/C(=O)C(=O)O; CC=CC( =O)C(=O)O |
2-OXO-3-PENTENOIC ACID |
| 36479 | OXQ CHEMBL1235045 DB02401 ZINC000006523895 |
11 | C3 H2 N2 O4 | InChI=1S/C3H2N2O4/c6-2-1( 3(7)8)4-9-5-2/h(H,5,6)(H, 7,8); IBRWUZLLHSXPKL-UHFFFAOYSA-N |
c1(c(non1)O)C(=O)O; OC(=O)c1nonc1O; O=C( O)c1nonc1O |
4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID |
| 36480 | OXR ZINC000012502479 |
2 | C20 H28 O2 | InChI=1S/C20H28O2/c1-15(7 -6-8-16(2)12-14-21)9-10-1 8-17(3)19(22)11-13-20(18, 4)5/h6-10,12,21H,11,13-14 H2,1-5H3/b8-6+,10-9+,15-7 +,16-12+; PLIUCYCUYQIBDZ-RMWYGNQTSA-N |
CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\C O)\C)\C; CC(=CCO)C=CC=C(C)C=CC1=C(C)C(=O )CCC1(C)C; CC(=C\CO)/C=C/C=C(C)/C=C/C1=C (C)C(=O)CCC1(C)C; CC1=C(C(CCC1=O)(C)C)C= CC(=CC=CC(=CCO)C)C; O=C1C(=C(\C=C\C(=C\C =C\C(=C\CO)C)C)C(C)(C)CC1)C |
4-OXORETINOL |
| 36481 | OXS DB02190 ZINC000001530145 |
1 | C6 H6 O7 | InChI=1S/C6H6O7/c7-3(8)1- 2(5(10)11)4(9)6(12)13/h2H ,1H2,(H,7,8)(H,10,11)(H,1 2,13)/t2-/m0/s1; UFSCUAXLTRFIDC-REOHCLBHSA-N |
O=C(O)CC(C(=O)C(=O)O)C(=O)O; C(C(C(=O)C( =O)O)C(=O)O)C(=O)O; OC(=O)C[C@H](C(O)=O) C(=O)C(O)=O; C([C@@H](C(=O)C(=O)O)C(=O)O )C(=O)O; OC(=O)C[CH](C(O)=O)C(=O)C(O)=O |
2-OXALOSUCCINIC ACID |
| 36482 | OXT | 5 | C34 H55 N11 O24 P5 S2 | InChI=1S/C34H54N11O24P5S2 /c1-17-21(6-9-63-72(57,58 )68-71(54,55)56)76-32(44( 17)12-19-11-39-18(2)43-27 (19)35)33(50)75-10-8-37-2 2(46)5-7-38-30(49)26(48)3 4(3,4)14-65-74(61,62)69-7 3(59,60)64-13-20-25(67-70 (51,52)53)24(47)31(66-20) 45-16-42-23-28(36)40-15-4 1-29(23)45/h11,15-16,20,2 4-26,31,33,47-48,50H,5-10 ,12-14H2,1-4H3,(H12-,35,3 6,37,38,39,40,41,43,46,49 ,51,52,53,54,55,56,57,58, 59,60,61,62)/p+1/t20-,24- ,25-,26+,31-,33-/m1/s1; YQBMKRANULMYDX-JUQVGMLLSA-O |
Cc1ncc(C[n+]2c(C)c(CCO[P@](O)(=O)O[P](O) (O)=O)sc2[C@H](O)SCCNC(=O)CCNC(=O)[C@H]( O)C(C)(C)CO[P@@](O)(=O)O[P@@](O)(=O)OC[C @H]3O[C@H]([C@H](O)[C@@H]3O[P](O)(O)=O)n 4cnc5c(N)ncnc45)c(N)n1; Cc1c(sc([n+]1Cc2 cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@ H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@ @H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N )O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O) O; Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(O)SCCNC( =O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O CC3C(C(C(O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O) O)CCOP(=O)(O)OP(=O)(O)O; O=P(O)(O)OC1C(O )C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C( =O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc 3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N) c5nc4; Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O [P](O)(O)=O)sc2[CH](O)SCCNC(=O)CCNC(=O)[ CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C H]3O[CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5 c(N)ncnc45)c(N)n1 |
3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM |
| 36483 | OXU CHEMBL1697693 ZINC000059066260 |
2 | C2 H6 Br N | InChI=1S/C2H6BrN/c3-1-2-4 /h1-2,4H2; IZQAUUVBKYXMET-UHFFFAOYSA-N |
NCCBr; C(CBr)N | 2-bromanylethanamine |
| 36484 | OXV | 0 | C33 H44 N4 O5 S | InChI=1S/C33H44N4O5S/c1-3 -4-13-31(38)34-15-18-40-2 0-22-42-23-21-41-19-16-35 -32(39)25-37-29-11-7-8-12 -30(29)43-33(37)24-26-14- 17-36(2)28-10-6-5-9-27(26 )28/h5-12,14,17H,3-4,13,1 5-16,18-25H2,1-2H3,(H,34, 38)(H,35,39); HYWIHCYNOZASJE-UHFFFAOYSA-N |
CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n]1c(Cc2cc[ n](C)c3ccccc23)sc4ccccc14; CCCCC(=O)NCCO CCOCCOCCNC(=O)C[N]1=C(Sc2c1cccc2)CC3=CC= [N](c4c3cccc4)C |
~{N}-[2-[2-[2-[2-[2-[2-[(1-methylquinolin-4-yl)methyl]-1,3-benzothiazol-3-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide |
| 36485 | OXW CHEMBL4757911 |
4 | C20 H19 F N10 | InChI=1S/C20H19FN10/c1-29 -6-4-16(5-7-29)30-12-15(1 0-24-30)25-20-23-11-17-19 (26-20)31(28-27-17)18-3-2 -14(21)8-13(18)9-22/h2-3, 8,10-12,16H,4-7H2,1H3,(H, 23,25,26); AWEOBSGKFWBFJW-UHFFFAOYSA-N |
CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5 ccc(cc5C#N)F; CN1CCC(CC1)n2cc(Nc3ncc4nnn (c5ccc(F)cc5C#N)c4n3)cn2 |
5-fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile |
| 36486 | OXX | 0 | C6 H6 N O7 | InChI=1S/C6H7NO7/c7-2(4(9 )10)1-3(8)14-6(13)5(11)12 /h2H,1,7H2,(H,9,10)(H,11, 12)/p-1/t2-/m0/s1; KIMLIGRTULKOOV-REOHCLBHSA-M |
N[CH](CC(=O)OC(=O)C([O-])=O)C(O)=O; C([C @@H](C(=O)O)N)C(=O)OC(=O)C(=O)[O-]; N[C@ @H](CC(=O)OC(=O)C([O-])=O)C(O)=O; C(C(C( =O)O)N)C(=O)OC(=O)C(=O)[O-]; O=C(OC(=O)C C(N)C(=O)O)C([O-])=O |
OXALYL-ASPARTYL ANHYDRIDE |
| 36487 | OXY CHEMBL1234886 DB09140 |
1016 | O2 | InChI=1S/O2/c1-2; MYMOFIZGZYHOMD-UHFFFAOYSA-N |
O=O | OXYGEN MOLECULE |
| 36488 | OXZ CHEMBL1213467 DB03862 |
6 | C5 H11 N O4 | InChI=1S/C5H11NO4/c7-2-4- 5(9)3(8)1-6-10-4/h3-9H,1- 2H2/t3-,4-,5+/m1/s1; KHVCOYGKHDJPBZ-WDCZJNDASA-N |
OC1C(ONCC1O)CO; OC[C@H]1ONC[C@@H](O)[C@@ H]1O; C1C(C(C(ON1)CO)O)O; OC[CH]1ONC[CH] (O)[CH]1O; C1[C@H]([C@@H]([C@H](ON1)CO)O )O |
TETRAHYDROOXAZINE |
| 36489 | OY0 CHEMBL2430111 ZINC000049047292 |
1 | C15 H24 N2 O3 S | InChI=1S/C15H24N2O3S/c1-5 -6-13(15(2,3)4)14(18)17-1 1-7-9-12(10-8-11)21(16,19 )20/h7-10,13H,5-6H2,1-4H3 ,(H,17,18)(H2,16,19,20)/t 13-/m1/s1; WYSWMHFXVFMYFI-CYBMUJFWSA-N |
CCC[CH](C(=O)Nc1ccc(cc1)[S](N)(=O)=O)C(C )(C)C; CCC[C@H](C(=O)Nc1ccc(cc1)[S](N)(= O)=O)C(C)(C)C; CCC[C@H](C(=O)Nc1ccc(cc1) S(=O)(=O)N)C(C)(C)C; CCCC(C(=O)Nc1ccc(cc 1)S(=O)(=O)N)C(C)(C)C; O=S(=O)(N)c1ccc(N C(=O)C(CCC)C(C)(C)C)cc1 |
(2S)-2-tert-butyl-N-(4-sulfamoylphenyl)pentanamide |
| 36490 | OY2 | 1 | C15 H20 N2 O3 | InChI=1S/C15H20N2O3/c1-4- 14(18)17-9-8-16(5-2)13-10 -11(15(19)20-3)6-7-12(13) 17/h6-7,10H,4-5,8-9H2,1-3 H3; QDHABPUVVIONNJ-UHFFFAOYSA-N |
CCC(=O)N1CCN(c2c1ccc(c2)C(=O)OC)CC; CCN1 CCN(C(=O)CC)c2ccc(cc12)C(=O)OC |
methyl 4-ethyl-1-propanoyl-2,3-dihydroquinoxaline-6-carboxylate |
| 36491 | OY3 | 2 | C17 H18 Br N2 O7 P | InChI=1S/C17H18BrN2O7P/c1 -10-16(21)14(12(7-19-10)9 -27-28(24,25)26)8-20-15(1 7(22)23)6-11-3-2-4-13(18) 5-11/h2-5,7-8,19,21H,6,9H 2,1H3,(H,22,23)(H2,24,25, 26)/b14-8-,20-15+; QODYJTOPURJJAH-MTTBYZIPSA-N |
CC1=C(/C(=C\[NH+]=C(/Cc2cccc(c2)Br)\C(=O )O)/C(=CN1)COP(=O)(O)O)[O-]; CC1=C([O-]) C(=C[NH+]=C(Cc2cccc(Br)c2)C(O)=O)C(=CN1) CO[P](O)(O)=O; CC1=C([O-])\C(=C/[NH+]=C( Cc2cccc(Br)c2)C(O)=O)C(=CN1)CO[P](O)(O)= O; CC1=C(C(=C[NH+]=C(Cc2cccc(c2)Br)C(=O) O)C(=CN1)COP(=O)(O)O)[O-]; O=C(O)C(\Cc1c ccc(Br)c1)=[NH+]\C=C1/C([O-])=C(C)NC=C1C OP(=O)(O)O |
(4Z)-4-({[(1E)-2-(3-bromophenyl)-1-carboxyethylidene]azaniumyl}methylidene)-2-methyl-5-[(phosphonooxy)methyl]-1,4-dihydropyridin-3-olate |
| 36492 | OY4 CHEMBL4584522 |
2 | C15 H16 F N5 O3 S | InChI=1S/C15H16FN5O3S/c1- 8(22)17-4-5-25-15-13(20-2 4-21-15)14(19-23)18-12-6- 9-2-3-10(16)7-11(9)12/h2- 3,7,12,23H,4-6H2,1H3,(H,1 7,22)(H,18,19)/t12-/m0/s1; IWTLWDCOKRYTFP-LBPRGKRZSA-N |
CC(=O)NCCSc1nonc1C(N[CH]2Cc3ccc(F)cc23)= NO; CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2C c3c2cc(cc3)F; CC(=O)NCCSc1c(non1)C(=NO)N C2Cc3c2cc(cc3)F; CC(=O)NCCSc1nonc1/C(N[C @H]2Cc3ccc(F)cc23)=N/O; c2(ccc1CC(c1c2)N C(=N/O)\c3nonc3SCCNC(C)=O)F |
N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide |
| 36493 | OY5 | 1 | C8 H12 B18 Co N2 O4 S2 | InChI=1S/2C4H6B9NO2S.Co/c 2*14-17(15,16)2-1-4-3-5-7 -6(4)10(4)8(3,4)9(3,5)11( 5,7)12(6,7,10)13(8,9,10)1 1;/h2*1-2H2,(H2,14,15,16) ;/q;;+6; ZFLDGVQOTLFANW-UHFFFAOYSA-N |
B1234B567B189B212B33%10B454B656B787B911[ C+2]232([C+]4%105[Co]76121234B567B118B55 9B66%10B272B667B%1055B911B565[C+]318[C+2 ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O) (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10% 11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1 3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2 7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33 [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C ++]%24%28%34CC[S](N)(=O)=O |
CA IX mimic |
| 36494 | OY6 | 2 | C30 H27 N5 O4 S | InChI=1S/C30H27N5O4S/c1-3 9-26-11-5-4-10-25(26)33-2 8(36)20-12-14-21(15-13-20 )31-30(38)35(19-22-7-6-18 -40-22)17-16-27-32-24-9-3 -2-8-23(24)29(37)34-27/h2 -15,18H,16-17,19H2,1H3,(H ,31,38)(H,33,36)(H,32,34, 37); CHCNDJNLIDGUFS-UHFFFAOYSA-N |
COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)N(CCC3=N c4ccccc4C(=O)N3)Cc5cccs5; COc1ccccc1NC(= O)c2ccc(NC(=O)N(CCC3=Nc4ccccc4C(=O)N3)Cc 5sccc5)cc2 |
~{N}-(2-methoxyphenyl)-4-[[2-(4-oxidanylidene-3~{H}-quinazolin-2-yl)ethyl-(thiophen-2-ylmethyl)carbamoyl]amino]benzamide |
| 36495 | OY7 CHEMBL1209760 ZINC000169743314 |
1 | C8 H9 B O3 | InChI=1S/C8H9BO3/c1-6(10) 7-2-4-8(5-3-7)9(11)12/h2- 5,11-12H,1H3; OBQRODBYVNIZJU-UHFFFAOYSA-N |
CC(=O)c1ccc(cc1)B(O)O; B(c1ccc(cc1)C(=O) C)(O)O |
(4-ethanoylphenyl)boronic acid; 4-Acetylphenylboronic acid |
| 36496 | OY8 | 1 | C8 H12 B18 Co N2 O4 S2 | InChI=1S/2C4H6B9NO2S.Co/c 2*14-17(15,16)2-1-4-3-5-7 -6(4)10(4)8(3,4)9(3,5)11( 5,7)12(6,7,10)13(8,9,10)1 1;/h2*1-2H2,(H2,14,15,16) ;/q;;+6; ZFLDGVQOTLFANW-UHFFFAOYSA-N |
B1234B567B189B212B33%10B454B656B787B911[ C+2]232([C+]4%105[Co]76121234B567B118B55 9B66%10B272B667B%1055B911B565[C+]318[C+2 ]4752CCS(=O)(=O)N)CCS(=O)(=O)N; N[S](=O) (=O)CC[C++]123[C+]45[B]678[B]149[B]6%10% 11[B]7%12%13[B]58%14[B]%12%15%16[B]%10%1 3%17[B]29%11[B]3%15%17[Co]%14%16%18%19[B ]%20%21%22[C+]%23%24[B]%20%25%26[B]%23%2 7%28[B]%25%29%30[B]%21%26%31[B]%29%32%33 [B]%27%30%34[B]%18%32([B]%19%22%31%33)[C ++]%24%28%34CC[S](N)(=O)=O |
Metala-Carborane di-ethyl-sulfonamide |
| 36497 | OY9 CHEMBL5426567 |
14 | C22 H19 Cl N4 O | InChI=1S/C22H19ClN4O/c23- 19-6-4-16(5-7-19)13-27-15 -25-21-8-9-26(14-20(21)22 (27)28)12-18-3-1-2-17(10- 18)11-24/h1-7,10,15H,8-9, 12-14H2; JNBDIOOOVLLTKQ-UHFFFAOYSA-N |
Clc1ccc(CN2C=NC3=C(CN(CC3)Cc4cccc(c4)C#N )C2=O)cc1; Clc1ccc(cc1)CN1C=NC=2CCN(Cc3c ccc(C#N)c3)CC=2C1=O; c1cc(cc(c1)C#N)CN2C CC3=C(C2)C(=O)N(C=N3)Cc4ccc(cc4)Cl |
3-({3-[(4-chlorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6(4H)-yl}methyl)benzonitrile |
| 36498 | OYA CHEMBL18407 ZINC000001529222 |
9 | C8 H16 O | InChI=1S/C8H16O/c1-2-3-4- 5-6-7-8-9/h8H,2-7H2,1H3; NUJGJRNETVAIRJ-UHFFFAOYSA-N |
O=CCCCCCCC; CCCCCCCC=O | OCTANAL; OCTYL ALDEHYDE |
| 36499 | OYB CHEMBL4759319 |
1 | C17 H21 N7 O | InChI=1S/C17H21N7O/c1-25- 14-8-6-13(7-9-14)24-16-15 (22-23-24)10-19-17(21-16) 20-12-4-2-11(18)3-5-12/h6 -12H,2-5,18H2,1H3,(H,19,2 0,21)/t11-,12-; OYCSZJFCBXZCDD-HAQNSBGRSA-N |
COc1ccc(cc1)n2nnc3cnc(N[CH]4CC[CH](N)CC4 )nc23; COc1ccc(cc1)n2c3c(cnc(n3)NC4CCC(C C4)N)nn2; COc1ccc(cc1)n2nnc3cnc(N[C@H]4C C[C@H](N)CC4)nc23 |
~{N}4-[3-(4-methoxyphenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]cyclohexane-1,4-diamine |
| 36500 | OYD | 2 | C12 H20 N4 O3 | InChI=1S/C12H20N4O3/c1-2- 6-13-9-10(14-7-4-3-5-8-17 )15-12(19)16-11(9)18/h6,1 7H,2-5,7-8H2,1H3,(H3,14,1 5,16,18,19)/b13-6+; ZKFUQHLXTDAXLG-AWNIVKPZSA-N |
CCC=NC1=C(NCCCCCO)NC(=O)NC1=O; CCC=NC1=C (NC(=O)NC1=O)NCCCCCO; CC/C=N/C1=C(NC(=O) NC1=O)NCCCCCO; C=1(NCCCCCO)NC(NC(C=1N=[C @H]CC)=O)=O |
6-[(5-hydroxypentyl)amino]-5-[(E)-propylideneamino]pyrimidine-2,4(1H,3H)-dione |
| 36501 | OYE | 2 | C27 H31 N10 O18 P3 | InChI=1S/C27H33N10O18P3/c 28-26-31-20-14(22(42)33-2 6)30-9-36(20)24-18(40)16( 38)12(52-24)7-50-56(44,45 )54-58(48,49)55-57(46,47) 51-8-13-17(39)19(41)25(53 -13)37-10-35(6-11-4-2-1-3 -5-11)15-21(37)32-27(29)3 4-23(15)43/h1-5,9-10,12-1 3,16-19,24-25,38-41H,6-8H 2,(H8-,28,29,31,32,33,34, 42,43,44,45,46,47,48,49)/ p-2/t12-,13-,16-,17-,18-, 19-,24-,25-/m1/s1; DBIWUCQKTGTGGL-JIUDXVAXSA-L |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P] ([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC [C@H]4O[C@H]([C@H](O)[C@@H]4O)n5c[n+](Cc 6ccccc6)c7C(=O)N=C(N)Nc57)[C@@H](O)[C@H] 3O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N=C(N3)N )C4C(C(C(O4)COP(=O)([O-])OP(=O)([O-])OP( =O)([O-])OCC5C(C(C(O5)n6cnc7c6N=C(NC7=O) N)O)O)O)O; c1ccc(cc1)C[n+]2cn(c3c2C(=O)N =C(N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP (=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@ H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6N=C(NC7 =O)N)O)O)O)O; NC1=Nc2n(cnc2C(=O)N1)[CH]3 O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]( [O-])(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5c[ n+](Cc6ccccc6)c7C(=O)N=C(N)Nc57)[CH](O)[ CH]3O |
bn7GpppG mRNA 5' cap analog; [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
| 36502 | OYF | 3 | C18 H14 Cl N3 O2 | InChI=1S/C18H14ClN3O2/c19 -12-1-2-17-15(7-12)14(4-6 -24-17)18(23)22-16-10-21- 9-11-8-20-5-3-13(11)16/h1 -3,5,7-10,14H,4,6H2,(H,22 ,23)/t14-/m1/s1; KCXBRLJFVUQUIR-CQSZACIVSA-N |
Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4cnccc34)c 2c1; Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2cncc c21; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cn cc4c3ccnc4; c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3 cncc4c3ccnc4; Clc1ccc2OCC[CH](C(=O)Nc3cn cc4cnccc34)c2c1 |
(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 36503 | OYG | 2 | C9 H10 N2 O3 | InChI=1S/C9H10N2O3/c1-5(1 2)3-4-7-6(2)10-9(14)11-8( 7)13/h3-4H,1-2H3,(H2,10,1 1,13,14)/b4-3+; BUVNCCASAGRUIE-ONEGZZNKSA-N |
CC(=O)/C=C/C1=C(C)NC(=O)NC1=O; N1C(NC(C( [C@H]=[C@H]C(C)=O)=C1C)=O)=O; CC1=C(C(=O )NC(=O)N1)/C=C/C(=O)C; CC1=C(C(=O)NC(=O) N1)C=CC(=O)C; CC(=O)C=CC1=C(C)NC(=O)NC1= O |
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
| 36504 | OYH | 2 | C27 H19 N3 O4 | InChI=1S/C27H19N3O4/c31-2 6(32)21-12-11-20(16-22(21 )27(33)34)28-25-24(18-9-5 -2-6-10-18)29-23-15-19(13 -14-30(23)25)17-7-3-1-4-8 -17/h1-16,28H,(H,31,32)(H ,33,34); HYJWOPNEPKVJHA-UHFFFAOYSA-N |
O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(ccn12)c 1ccccc1)c1ccccc1; c1ccc(cc1)c2ccn3c(c2)n c(c3Nc4ccc(c(c4)C(=O)O)C(=O)O)c5ccccc5; OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccccc4)c5cc ccc5)cc1C(O)=O |
4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid |
| 36505 | OYI | 1 | C11 H12 F N O2 S | InChI=1S/C11H12FNO2S/c1-1 3(4-5-16)11(15)8-2-3-9(7- 14)10(12)6-8/h2-3,6-7,16H ,4-5H2,1H3; IDNFWLDGQTXDHK-UHFFFAOYSA-N |
CN(CCS)C(=O)c1ccc(C=O)c(F)c1; CN(CCS)C(= O)c1ccc(c(c1)F)C=O |
3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| 36506 | OYJ CHEMBL1222130 ZINC000058590849 |
1 | C24 H21 Cl F2 N4 O5 S | InChI=1S/C24H21ClF2N4O5S/ c1-37(35,36)30-12-16(23(3 3)28-14-5-7-18(25)19(26)1 0-14)17(13-30)24(34)29-21 -8-6-15(11-20(21)27)31-9- 3-2-4-22(31)32/h2-11,16-1 7H,12-13H2,1H3,(H,28,33)( H,29,34)/t16-,17-/m0/s1; XRNMSDIWHHURFN-IRXDYDNUSA-N |
CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2 ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F )Cl; O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C( =O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4; CS (=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=C C=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl; C[S](=O)( =O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C= CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4; C[S](=O) (=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F) N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4 |
(3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-3-FLUORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} |
| 36507 | OYK CHEMBL5179548 ZINC000001680635 |
7 | C7 H9 N5 | InChI=1S/C7H9N5/c1-8-6-5- 7(10-3-9-6)12(2)4-11-5/h3 -4H,1-2H3,(H,8,9,10); GRDLXXJSRHDATN-UHFFFAOYSA-N |
CNc1ncnc2n(C)cnc12; CNc1c2c(ncn1)n(cn2)C | ~{N},9-dimethylpurin-6-amine |
| 36508 | OYL | 0 | C8 H13 N3 O2 | InChI=1S/C8H13N3O2/c1-2-1 1-4-6(10-5-11)3-7(9)8(12) 13/h4-5,7H,2-3,9H2,1H3,(H ,12,13)/t7-/m0/s1; OAXCYOTUTFGTCJ-ZETCQYMHSA-N |
CCn1cnc(C[CH](N)C(O)=O)c1; O=C(O)C(N)Cc1 ncn(c1)CC; CCn1cc(nc1)CC(C(=O)O)N; CCn1c c(nc1)C[C@@H](C(=O)O)N; CCn1cnc(C[C@H](N )C(O)=O)c1 |
1-ethyl-L-histidine |
| 36509 | OYN CHEMBL446449 ZINC000004429067 |
4 | C6 H6 Cl N5 | InChI=1S/C6H6ClN5/c1-8-4- 3-5(10-2-9-3)12-6(7)11-4/ h2H,1H3,(H2,8,9,10,11,12); RIAVUEFUPHOGJY-UHFFFAOYSA-N |
CNc1c2c([nH]cn2)nc(n1)Cl; CNc1nc(Cl)nc2[ nH]cnc12 |
2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine |
| 36510 | OYO ZINC000000120392 |
4 | C8 H14 O5 | InChI=1S/C8H14O5/c1-8(2)1 2-6-5(10)4(3-9)11-7(6)13- 8/h4-7,9-10H,3H2,1-2H3/t4 -,5-,6+,7+/m1/s1; JAUQZVBVVJJRKM-JWXFUTCRSA-N |
CC1(OC2C(C(OC2O1)CO)O)C; CC1(C)O[C@@H]2O [C@H](CO)[C@@H](O)[C@@H]2O1; CC1(C)O[CH] 2O[CH](CO)[CH](O)[CH]2O1; CC1(O[C@H]2[C@ @H]([C@H](O[C@H]2O1)CO)O)C |
(3~{a}~{S},5~{R},6~{R},6~{a}~{S})-5-(hydroxymethyl)-2,2-dimethyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol |
| 36511 | OYP CHEMBL144207 |
4 | C23 H34 O3 | InChI=1S/C23H34O3/c1-2-3- 4-5-6-7-8-9-10-11-12-19-2 6-20-22-15-13-21(14-16-22 )17-18-23(24)25/h13-16H,2 -10,17-20H2,1H3,(H,24,25); RYRHYCDBTFUGMI-UHFFFAOYSA-N |
CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O; CCCC CCCCCCC#CCOCc1ccc(CCC(O)=O)cc1; O=C(O)CC c1ccc(cc1)COCC#CCCCCCCCCCC |
3-{4-[(tridec-2-yn-1-yloxy)methyl]phenyl}propanoic acid |
| 36512 | OYQ | 1 | C13 H20 N2 O3 S | InChI=1S/C13H20N2O3S/c1-3 -10(2)4-9-13(16)15-11-5-7 -12(8-6-11)19(14,17)18/h5 -8,10H,3-4,9H2,1-2H3,(H,1 5,16)(H2,14,17,18)/t10-/m 0/s1; NTFBKJBQQKWQSL-JTQLQIEISA-N |
O=S(=O)(N)c1ccc(NC(=O)CCC(C)CC)cc1; CC[C H](C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CC[ C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CCC (C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N; CC[C@H] (C)CCC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
(4S)-4-methyl-N-(4-sulfamoylphenyl)hexanamide |
| 36513 | OYR | 2 | C41 H32 N4 O5 | InChI=1S/C41H32N4O5/c46-4 0(47)34-18-17-33(25-35(34 )41(48)49)43-39-38(44-37- 24-32(19-22-45(37)39)29-6 -2-1-3-7-29)31-15-9-27(10 -16-31)20-23-50-26-28-11- 13-30(14-12-28)36-8-4-5-2 1-42-36/h1-19,21-22,24-25 ,43H,20,23,26H2,(H,46,47) (H,48,49); ZNDWCDSQYLVCOS-UHFFFAOYSA-N |
c1ccc(cc1)c2ccn3c(c2)nc(c3Nc4ccc(c(c4)C( =O)O)C(=O)O)c5ccc(cc5)CCOCc6ccc(cc6)c7cc ccn7; OC(=O)c1ccc(Nc2n3ccc(cc3nc2c4ccc(C COCc5ccc(cc5)c6ccccn6)cc4)c7ccccc7)cc1C( O)=O; O=C(O)c1cc(ccc1C(=O)O)Nc1c(nc2cc(c cn12)c1ccccc1)c1ccc(CCOCc2ccc(cc2)c2cccc n2)cc1 |
4-({(4R)-7-phenyl-2-[4-(2-{[4-(pyridin-2-yl)phenyl]methoxy}ethyl)phenyl]imidazo[1,2-a]pyridin-3-yl}amino)benzene-1,2-dicarboxylic acid |
| 36514 | OYS CHEMBL574782 ZINC000000142256 |
1 | C14 H14 N2 O3 S | InChI=1S/C14H14N2O3S/c15- 20(18,19)13-8-6-12(7-9-13 )16-14(17)10-11-4-2-1-3-5 -11/h1-9H,10H2,(H,16,17)( H2,15,18,19); JWDLYKTZCRIGNW-UHFFFAOYSA-N |
c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N; N [S](=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1; O= S(=O)(N)c2ccc(NC(=O)Cc1ccccc1)cc2 |
2-phenyl-N-(4-sulfamoylphenyl)acetamide |
| 36515 | OYT CHEMBL5170722 |
4 | C9 H11 N5 | InChI=1S/C9H11N5/c1-10-8- 7-9(12-4-11-8)14(5-13-7)6 -2-3-6/h4-6H,2-3H2,1H3,(H ,10,11,12); GSKXLJNKAAXSOE-UHFFFAOYSA-N |
CNc1ncnc2n(cnc12)C3CC3; CNc1c2c(ncn1)n(c n2)C3CC3 |
9-cyclopropyl-~{N}-methyl-purin-6-amine |
| 36516 | OYU ZINC000002516270 |
4 | C7 H15 N O3 | InChI=1S/C7H15NO3/c1-7(2, 3)11-6(10)8-4-5-9/h9H,4-5 H2,1-3H3,(H,8,10); GPTXCAZYUMDUMN-UHFFFAOYSA-N |
CC(C)(C)OC(=O)NCCO | ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate |
| 36517 | OYV | 2 | C14 H20 N2 O7 | InChI=1S/C14H20N2O7/c1-7( 18)2-3-8-9(15-14(23)16-13 (8)22)4-5-10(19)12(21)11( 20)6-17/h2-3,10-12,17,19- 21H,4-6H2,1H3,(H2,15,16,2 2,23)/b3-2+/t10-,11+,12-/ m0/s1; YIGUGMFHMVTCHU-VUGGRDAHSA-N |
CC(=O)C=CC1=C(CC[CH](O)[CH](O)[CH](O)CO) NC(=O)NC1=O; CC(=O)/C=C/C1=C(CC[C@H](O)[ C@H](O)[C@H](O)CO)NC(=O)NC1=O; CC(=O)C=C C1=C(NC(=O)NC1=O)CCC(C(C(CO)O)O)O; C(=O) ([C@H]=[C@H]C=1C(=O)NC(NC=1CCC(C(C(O)CO) O)O)=O)C; CC(=O)/C=C/C1=C(NC(=O)NC1=O)CC [C@@H]([C@@H]([C@@H](CO)O)O)O |
1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol |
| 36518 | OYW | 4 | C27 H33 Cl N10 O18 P3 | InChI=1S/C27H32ClN10O18P3 /c28-11-3-1-10(2-4-11)5-3 6-9-38(21-15(36)23(44)35- 27(30)33-21)25-19(42)17(4 0)13(54-25)7-52-58(47,48) 56-59(49,50)55-57(45,46)5 1-6-12-16(39)18(41)24(53- 12)37-8-31-14-20(37)32-26 (29)34-22(14)43/h1-4,8-9, 12-13,16-19,24-25,39-42H, 5-7H2,(H8-,29,30,32,33,34 ,35,43,44,45,46,47,48,49, 50)/p+1/t12?,13-,16?,17-, 18?,19-,24?,25-/m1/s1; YLIRYFJCSIVXAE-AGNUKMHHSA-O |
NC1=Nc2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[ P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O) [CH]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(= Nc57)N)C(O)C3O; c1cc(ccc1C[n+]2cn(c3c2C( =O)NC(=N3)N)C4C(C(C(O4)COP(=O)(O)OP(=O)( O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6N=C(NC7= O)N)O)O)O)O)Cl; c1cc(ccc1C[n+]2cn(c3c2C( =O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4 )COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC5C(C(C(O 5)n6cnc7c6N=C(NC7=O)N)O)O)O)O)Cl; NC1=Nc 2n(cnc2C(=O)N1)C3OC(CO[P](O)(=O)O[P](O)( =O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@ @H]4O)n5c[n+](Cc6ccc(Cl)cc6)c7C(=O)NC(=N c57)N)C(O)C3O |
4-Cl-Bn7GpppG mRNA 5' cap analog; [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(4-chlorophenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 36519 | OYX | 3 | C24 H28 N2 O S | InChI=1S/C24H28N2OS/c27-2 4(15-21-17-25-16-20-9-4-5 -11-23(20)21)26(18-22-10- 6-14-28-22)13-12-19-7-2-1 -3-8-19/h4-6,9-11,14,16-1 7,19H,1-3,7-8,12-13,15,18 H2; COUGPWQMAYMVGH-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2CC(=O)N(CCC3CCCCC3)Cc4cc cs4; O=C(Cc1cncc2ccccc12)N(CCC3CCCCC3)Cc 4sccc4; O=C(Cc1cncc2ccccc21)N(CCC1CCCCC1 )Cc1cccs1 |
N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide |
| 36520 | OYZ | 2 | C26 H24 N4 O3 | InChI=1S/C26H24N4O3/c1-3- 33-23-7-5-4-6-19(23)17-8- 10-18(11-9-17)24-21(14-27 )25(29-16(2)26(31)32)20-1 2-13-28-15-22(20)30-24/h4 -11,13,16H,3,12,15H2,1-2H 3,(H,29,30)(H,31,32)/t16- /m1/s1; NURQHDXPRQBOKW-MRXNPFEDSA-N |
CCOc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4 )N[C@H](C)C(=O)O)C#N; CCOc1ccccc1c2ccc(c c2)c3nc4CN=CCc4c(N[CH](C)C(O)=O)c3C#N; C COc1ccccc1c2ccc(cc2)c3c(c(c4c(n3)CN=CC4) NC(C)C(=O)O)C#N; CCOc1ccccc1c2ccc(cc2)c3 nc4CN=CCc4c(N[C@H](C)C(O)=O)c3C#N |
(2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid |
| 36521 | OZ0 | 1 | C11 H16 B N O6 S | InChI=1S/C11H16BNO6S/c1-2 -10(12(16)17)13-20(18,19) 7-8-4-3-5-9(6-8)11(14)15/ h3-6,10,13,16-17H,2,7H2,1 H3,(H,14,15)/t10-/m1/s1; NXMDVDQWQYARKG-SNVBAGLBSA-N |
CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B (O)O; O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B( O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)= O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(= O)O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc( c1)C(=O)O)(O)O |
3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
| 36522 | OZ1 CHEMBL5287175 |
3 | C22 H24 F2 N4 O4 | InChI=1S/C22H24F2N4O4/c23 -15-7-6-14(17(24)10-15)12 -27-21(30)18-19(25)16-9-1 3(5-3-1-2-4-8-29)11-26-20 (16)28(32)22(18)31/h6-7,9 -11,29,32H,1-5,8,12,25H2, (H,27,30); YZHRHLDMVJVVOL-UHFFFAOYSA-N |
NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc (CCCCCCO)cc13; c1cc(c(cc1F)F)CNC(=O)C2=C (c3cc(cnc3N(C2=O)O)CCCCCCO)N; c3cc(CNC(= O)C2=C(N)c1cc(CCCCCCO)cnc1N(C2=O)O)c(F)c c3F |
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-6-(6-hydroxyhexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide |
| 36523 | OZ2 ZINC000058650962 |
4 | C37 H69 O10 P | InChI=1S/C37H69O10P/c1-3- 5-7-9-11-13-15-16-17-18-1 9-21-22-24-26-28-36(40)44 -32-35(33-46-48(42,43)45- 31-34(39)30-38)47-37(41)2 9-27-25-23-20-14-12-10-8- 6-4-2/h14,16-17,20,34-35, 38-39H,3-13,15,18-19,21-3 3H2,1-2H3,(H,42,43)/b17-1 6-,20-14-/t34-,35+/m0/s1; YOPHQENQMRACBJ-BMAOJOIDSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(= O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCC; CCCCC CCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O) OC[C@@H](O)CO)OC(=O)CCCC\C=C/CCCCCC; CCC CCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO )O)OC(=O)CCCCC=CCCCCCC; CCCCCCCC/C=C\CCC CCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO )O)OC(=O)CCCC/C=C\CCCCCC; O=C(OC(COP(=O) (OCC(O)CO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC) CCCC\C=C/CCCCCC |
(2R)-3-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-tridec-6-enoyloxy]propyl (9Z)-octadec-9-enoate |
| 36524 | OZ3 | 0 | C9 H12 N3 | InChI=1S/C9H11N3/c10-4-6- 1-2-8-7(3-6)5-12-9(8)11/h 1-3H,4-5,10H2,(H2,11,12)/ p+1; WGTMTZNANKWNAF-UHFFFAOYSA-O |
c1cc2c(cc1CN)C[NH+]=C2N; NCc1ccc2C(=[NH+ ]Cc2c1)N |
5-(aminomethyl)-3~{H}-isoindol-2-ium-1-amine |
| 36525 | OZ4 | 1 | C27 H33 N3 O2 | InChI=1S/C27H33N3O2/c1-15 -9-11-30-14-26-12-18-16-6 -7-19-17(8-10-24(2,3)32-1 9)21(16)28-22(18)25(4,5)2 0(26)13-27(15,30)23(31)29 -26/h6-8,10,15,20,28H,9,1 1-14H2,1-5H3,(H,29,31)/t1 5-,20-,26+,27+/m0/s1; NZXZONUAPKPCQR-CVXXBLRVSA-N |
C421C(C)CCN1CC3(NC2=O)Cc5c(C(C3C4)(C)C)n c6c5ccc7OC(C=Cc67)(C)C; C[C@H]1CCN2[C@]1 3C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4( C)C)C=CC(O7)(C)C)NC3=O; C[C@H]1CCN2C[C@] 34Cc5c([nH]c6c5ccc7OC(C)(C)C=Cc67)C(C)(C )[C@@H]3C[C@]12C(=O)N4; CC1CCN2C13CC4C(c 5c(c6ccc7c(c6[nH]5)C=CC(O7)(C)C)CC4(C2)N C3=O)(C)C; C[CH]1CCN2C[C]34Cc5c([nH]c6c5 ccc7OC(C)(C)C=Cc67)C(C)(C)[CH]3C[C]12C(= O)N4 |
(7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one |
| 36526 | OZ5 CHEMBL4802045 |
2 | C26 H21 F N4 O2 | InChI=1S/C26H21FN4O2/c1-3 -21(26(32)33)30-25-19-11- 12-29-14-22(19)31-24(20(2 5)13-28)17-9-7-16(8-10-17 )18-6-4-5-15(2)23(18)27/h 4-12,14,21H,3H2,1-2H3,(H, 30,31)(H,32,33)/t21-/m1/s 1; DVIVLYHDLNAXAT-OAQYLSRUSA-N |
CC[C@H](C(=O)O)Nc1c2ccncc2nc(c1C#N)c3ccc (cc3)c4cccc(c4F)C; CC[C@@H](Nc1c2ccncc2n c(c3ccc(cc3)c4cccc(C)c4F)c1C#N)C(O)=O; C C[CH](Nc1c2ccncc2nc(c3ccc(cc3)c4cccc(C)c 4F)c1C#N)C(O)=O; CCC(C(=O)O)Nc1c2ccncc2n c(c1C#N)c3ccc(cc3)c4cccc(c4F)C |
(2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid |
| 36527 | OZ6 CHEMBL5196043 |
1 | C26 H43 N5 O5 | InChI=1S/C26H43N5O5/c1-24 (2,3)19(29-23(36)30-25(4, 5)6)22(35)31-12-16-17(26( 16,7)8)18(31)21(34)28-15( 13-32)11-14-9-10-27-20(14 )33/h13-19H,9-12H2,1-8H3, (H,27,33)(H,28,34)(H2,29, 30,36)/t14-,15-,16-,17-,1 8-,19+/m0/s1; CWUQSFBFZRKOOX-KOUJMVCDSA-N |
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H ]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O )C2(C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H] (N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C) C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C=O)C; CC (C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH] 1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C )(C)C; CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC (=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C=O)C |
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 36528 | OZ7 | 1 | C27 H33 N3 O3 | InChI=1S/C27H33N3O3/c1-15 -8-10-30-14-26-12-17-16-6 -7-18-21(32-11-9-24(2,3)3 3-18)20(16)28-22(17)25(4, 5)19(26)13-27(15,30)23(31 )29-26/h6-7,9,11,15,19,28 H,8,10,12-14H2,1-5H3,(H,2 9,31)/t15-,19-,26+,27+/m0 /s1; CHODRHYJOPXZLV-ZYHIPPEZSA-N |
C[CH]1CCN2C[C]34Cc5c([nH]c6c7OC=CC(C)(C) Oc7ccc56)C(C)(C)[CH]3C[C]12C(=O)N4; CC1C CN2C13CC4C(c5c(c6ccc7c(c6[nH]5)OC=CC(O7) (C)C)CC4(C2)NC3=O)(C)C; C[C@H]1CCN2C[C@] 34Cc5c([nH]c6c7OC=CC(C)(C)Oc7ccc56)C(C)( C)[C@@H]3C[C@]12C(=O)N4; C127C(CCN1CC6(N C2=O)Cc5c3c(c4OC=CC(C)(C)Oc4cc3)nc5C(C)( C)C6C7)C; C[C@H]1CCN2[C@]13C[C@@H]4[C@]( C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)( C)C)NC3=O |
(8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one |
| 36529 | OZ8 CHEMBL4873212 |
1 | C20 H25 N3 O2 | InChI=1S/C20H25N3O2/c24-2 0-15-18(22-9-11-25-12-10- 22)14-19(21-20)23-8-4-7-1 7(23)13-16-5-2-1-3-6-16/h 1-3,5-6,14-15,17H,4,7-13H 2,(H,21,24)/t17-/m1/s1; NUUYFIBMHLLMSL-QGZVFWFLSA-N |
c1ccc(cc1)CC2CCCN2C3=CC(=CC(=O)N3)N4CCOC C4; O=C1NC(=CC(=C1)N2CCOCC2)N3CCC[CH]3Cc 4ccccc4; c1ccc(cc1)C[C@H]2CCCN2C3=CC(=CC (=O)N3)N4CCOCC4; O=C1NC(=CC(=C1)N2CCOCC2 )N3CCC[C@@H]3Cc4ccccc4 |
4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one |
| 36530 | OZ9 | 1 | C11 H16 B N O6 S | InChI=1S/C11H16BNO6S/c1-2 -10(12(16)17)13-20(18,19) 7-8-4-3-5-9(6-8)11(14)15/ h3-6,10,13,16-17H,2,7H2,1 H3,(H,14,15)/t10-/m0/s1; NXMDVDQWQYARKG-JTQLQIEISA-N |
O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O; B ([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O )O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O )B(O)O; CC[C@H](N[S](=O)(=O)Cc1cccc(c1)C (O)=O)B(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c1 )C(=O)O)(O)O |
3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid |
| 36531 | OZA | 1 | C21 H24 Br N3 O | InChI=1S/C21H24BrN3O/c1-1 9(2)16-10-21-6-3-7-25(21) 11-20(16,24-18(21)26)9-14 -13-5-4-12(22)8-15(13)23- 17(14)19/h4-5,8,16,23H,3, 6-7,9-11H2,1-2H3,(H,24,26 )/t16-,20+,21-/m0/s1; LMABZAWQQDGLLN-DQLDELGASA-N |
CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c6cc c(Br)cc6[nH]c15)NC4=O; C314NC(C2(CCCN2C1 )CC3C(c5c(C4)c6c(n5)cc(cc6)Br)(C)C)=O; C C1(c2c(c3ccc(cc3[nH]2)Br)CC45C1CC6(CCCN6 C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN3C[C] 2(Cc5c6ccc(Br)cc6[nH]c15)NC4=O; CC1(c2c( c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(C CCN6C4)C(=O)N5)C |
(5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one |
| 36532 | OZB | 1 | C24 H34 F N5 O4 S2 | InChI=1S/C24H34FN5O4S2/c1 -22(2,3)17(29-21(34)23(25 )5-6-23)20(33)30-13-24(35 -8-9-36-24)11-16(30)19(32 )28-15(12-26)10-14-4-7-27 -18(14)31/h14-17H,4-11,13 H2,1-3H3,(H,27,31)(H,28,3 2)(H,29,34)/t14-,15-,16-, 17+/m0/s1; RIKAUFAETQRQJH-LUKYLMHMSA-N |
CC(C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[ C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C4 (CC4)F; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC( CC3CCNC3=O)C#N)SCCS2)NC(=O)C4(CC4)F; CC( C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH ]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3; CC (C)(C)[C@H](NC(=O)C1(F)CC1)C(=O)N2CC3(C[ C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O)C#N)SC CS3 |
(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| 36533 | OZC | 3 | C20 H17 Cl N2 O | InChI=1S/C20H17ClN2O/c21- 16-9-7-14(8-10-16)18-6-3- 11-23(20(18)24)19-13-22-1 2-15-4-1-2-5-17(15)19/h1- 2,4-5,7-10,12-13,18H,3,6, 11H2/t18-/m0/s1; SHKWJYBWRXZSMY-SFHVURJKSA-N |
Clc1ccc(cc1)C1CCCN(c2cncc3ccccc23)C1=O; c1ccc2c(c1)cncc2N3CCC[C@H](C3=O)c4ccc(cc 4)Cl; c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc( cc4)Cl; Clc1ccc(cc1)[CH]2CCCN(C2=O)c3cnc c4ccccc34; Clc1ccc(cc1)[C@@H]2CCCN(C2=O) c3cncc4ccccc34 |
(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one |
| 36534 | OZD | 2 | C9 H12 N4 O4 | InChI=1S/C9H12N4O4/c1-5(1 5)4-11-6-7(10-2-3-14)12-9 (17)13-8(6)16/h4,14H,2-3H 2,1H3,(H3,10,12,13,16,17) /b11-4+; HVWXIWYEXZLAAS-NYYWCZLTSA-N |
CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCO; CC(=O) C=NC1=C(NCCO)NC(=O)NC1=O; C(CO)NC=1NC(=O )NC(C=1\N=C\C(C)=O)=O; CC(=O)C=NC1=C(NC( =O)NC1=O)NCCO |
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione |
| 36535 | OZE | 1 | C24 H32 N3 O7 P | InChI=1S/C24H32N3O7P/c1-1 7(2)13-20(23(29)30)26-21( 28)15-25-35(32,33)22(14-1 8-9-5-3-6-10-18)27-24(31) 34-16-19-11-7-4-8-12-19/h 3-12,17,20,22H,13-16H2,1- 2H3,(H,26,28)(H,27,31)(H, 29,30)(H2,25,32,33)/t20-, 22+/m0/s1; YJSHTZYDPJRJOL-RBBKRZOGSA-N |
CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@H]( Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C( =O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OCc 2ccccc2)O; CC(C)C[CH](NC(=O)CN[P](O)(=O) [CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O)=O; CC(C)C[C@H](NC(=O)CN[P](O)(=O)[C@H](Cc1c cccc1)NC(=O)OCc2ccccc2)C(O)=O |
(((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl)oxidophosphoryl)glycyl-L-leucinate; (2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{R})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]p entanoic acid |
| 36536 | OZF | 2 | C11 H17 B N O9 P S | InChI=1S/C11H17BNO9PS/c1- 2-10(12(16)22-23(17,18)19 )13-24(20,21)7-8-4-3-5-9( 6-8)11(14)15/h3-6,10,13,1 6H,2,7H2,1H3,(H,14,15)(H2 ,17,18,19)/t10-/m1/s1; OKRPHJKYNCLTSY-SNVBAGLBSA-N |
B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP (=O)(O)O; B([C@@H](CC)NS(=O)(=O)Cc1cccc( c1)C(=O)O)(O)OP(=O)(O)O; O=S(=O)(Cc1cccc (c1)C(=O)O)NC(CC)B(O)OP(=O)(O)O; CC[CH]( N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O )(O)=O; CC[C@@H](N[S](=O)(=O)Cc1cccc(c1) C(O)=O)B(O)O[P](O)(O)=O |
3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid |
| 36537 | OZG | 1 | C17 H14 O5 | InChI=1S/C17H14O5/c1-20-1 2-3-2-4-13(8-12)22-14-5-6 -15-11(7-17(18)19)10-21-1 6(15)9-14/h2-6,8-10H,7H2, 1H3,(H,18,19); UOSYUXUYPKFRGA-UHFFFAOYSA-N |
c2c(cc1c(c(CC(O)=O)co1)c2)Oc3cc(OC)ccc3; COc1cccc(Oc2ccc3c(CC(O)=O)coc3c2)c1; CO c1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O |
[6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid |
| 36538 | OZH | 1 | C24 H32 N3 O7 P | InChI=1S/C24H32N3O7P/c1-1 7(2)13-20(23(29)30)26-21( 28)15-25-35(32,33)22(14-1 8-9-5-3-6-10-18)27-24(31) 34-16-19-11-7-4-8-12-19/h 3-12,17,20,22H,13-16H2,1- 2H3,(H,26,28)(H,27,31)(H, 29,30)(H2,25,32,33)/t20-, 22-/m0/s1; YJSHTZYDPJRJOL-UNMCSNQZSA-N |
CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)([C@@H] (Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC(C)CC(C (=O)O)NC(=O)CNP(=O)(C(Cc1ccccc1)NC(=O)OC c2ccccc2)O; CC(C)C[C@H](NC(=O)CN[P](O)(= O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(O) =O; CC(C)C[CH](NC(=O)CN[P](O)(=O)[CH](Cc 1ccccc1)NC(=O)OCc2ccccc2)C(O)=O |
(2~{S})-4-methyl-2-[2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]ethanoylamino]pentanoic acid |
| 36539 | OZI CHEMBL5206532 |
2 | C18 H18 Cl3 N3 O2 S | InChI=1S/C18H18Cl3N3O2S/c 19-9-17(25)23-5-6-24(12-3 -4-14(20)15(21)8-12)16(11 -23)18(26)22-10-13-2-1-7- 27-13/h1-4,7-8,16H,5-6,9- 11H2,(H,22,26)/t16-/m0/s1; DBKURSLDNAKNLU-INIZCTEOSA-N |
c1cc(sc1)CNC(=O)[C@@H]2CN(CCN2c3ccc(c(c3 )Cl)Cl)C(=O)CCl; c1cc(sc1)CNC(=O)C2CN(CC N2c3ccc(c(c3)Cl)Cl)C(=O)CCl; ClCC(=O)N1C CN([CH](C1)C(=O)NCc2sccc2)c3ccc(Cl)c(Cl) c3; ClCC(=O)N1CCN([C@@H](C1)C(=O)NCc2scc c2)c3ccc(Cl)c(Cl)c3 |
(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
| 36540 | OZJ CHEMBL3318211 ZINC000263620479 |
4 | C14 H10 N6 O | InChI=1S/C14H10N6O/c15-5- 9-10-12(16)19-14(17)20-13 (10)18-11(9)8-3-1-2-7(4-8 )6-21/h1-4,6H,(H5,16,17,1 8,19,20); GUABVUFADFGUJA-UHFFFAOYSA-N |
c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C =O; Nc1nc(N)c2c([nH]c(c3cccc(C=O)c3)c2C# N)n1; O=Cc3cccc(c2c(C#N)c1c(nc(nc1n2)N)N )c3 |
2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 36541 | OZK CHEMBL23887 ZINC000028261560 |
1 | C28 H29 N7 O3 | InChI=1S/C28H29N7O3/c1-28 (2,29)15-25(36)30-22-17-3 8-24-10-6-5-9-23(24)35(27 (22)37)16-18-11-13-19(14- 12-18)20-7-3-4-8-21(20)26 -31-33-34-32-26/h3-14,22H ,15-17,29H2,1-2H3,(H,30,3 6)(H,31,32,33,34)/t22-/m1 /s1; PJFIRCYASUNIFO-JOCHJYFZSA-N |
CC(C)(N)CC(=O)N[CH]1COc2ccccc2N(Cc3ccc(c c3)c4ccccc4c5[nH]nnn5)C1=O; CC(C)(N)CC(= O)N[C@@H]1COc2ccccc2N(Cc3ccc(cc3)c4ccccc 4c5[nH]nnn5)C1=O; CC(C)(CC(=O)N[C@@H]1CO c2ccccc2N(C1=O)Cc3ccc(cc3)c4ccccc4c5[nH] nnn5)N; CC(C)(CC(=O)NC1COc2ccccc2N(C1=O) Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)N |
3-azanyl-3-methyl-~{N}-[(3~{R})-4-oxidanylidene-5-[[4-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydro-1,5-benzoxazepin-3-yl]butanamide |
| 36542 | OZL | 2 | C25 H40 N6 O4 S2 | InChI=1S/C25H40N6O4S2/c1- 23(2,3)18(29-22(35)30-24( 4,5)6)21(34)31-14-25(36-9 -10-37-25)12-17(31)20(33) 28-16(13-26)11-15-7-8-27- 19(15)32/h15-18H,7-12,14H 2,1-6H3,(H,27,32)(H,28,33 )(H2,29,30,35)/t15-,16-,1 7-,18+/m0/s1; BLRKRWSWARPDLL-XLAORIBOSA-N |
CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(CC3CCNC3 =O)C#N)SCCS2)NC(=O)NC(C)(C)C; CC(C)(C)[C @@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@H](C[C@ @H]3CCNC3=O)C#N)SCCS2)NC(=O)NC(C)(C)C; C C(C)(C)NC(=O)N[C@H](C(=O)N1CC2(C[C@H]1C( =O)N[C@@H](C[C@@H]3CCNC3=O)C#N)SCCS2)C(C )(C)C; CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[ CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C (C)(C)C |
(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| 36543 | OZM | 1 | C17 H14 O3 | InChI=1S/C17H14O3/c18-17( 19)10-14-11-20-16-9-13(6- 7-15(14)16)8-12-4-2-1-3-5 -12/h1-7,9,11H,8,10H2,(H, 18,19); NANLKTVMZIVCBJ-UHFFFAOYSA-N |
c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O; OC(=O )Cc1coc2cc(Cc3ccccc3)ccc12; C(c1ccc2c(CC (O)=O)coc2c1)c3ccccc3 |
(6-benzyl-1-benzofuran-3-yl)acetic acid |
| 36544 | OZN CHEMBL3823095 |
1 | C25 H30 Cl N9 O | InChI=1S/C25H30ClN9O/c1-1 6-23(17(2)35(31-16)18-8-1 1-33(12-9-18)15-22(36)32( 3)4)29-25-27-14-20(26)24( 30-25)19-13-28-34-10-6-5- 7-21(19)34/h5-7,10,13-14, 18H,8-9,11-12,15H2,1-4H3, (H,27,29,30); FDWQWRCUIAECJN-UHFFFAOYSA-N |
CN(C)C(=O)CN1CCC(CC1)n2nc(C)c(Nc3ncc(Cl) c(n3)c4cnn5ccccc45)c2C; Cc1c(c(n(n1)C2CC N(CC2)CC(=O)N(C)C)C)Nc3ncc(c(n3)c4cnn5c4 cccc5)Cl |
2-[4-[4-[[(6Z)-5-chloranyl-6-pyrazolo[1,5-a]pyridin-3-ylidene-1H-pyrimidin-2-yl]amino]-3,5-dimethyl-pyrazol-1-yl]piperidin-1-yl]-N,N-dimethyl-ethanamide |
| 36545 | OZO | 2 | C11 H17 B N O9 P S | InChI=1S/C11H17BNO9PS/c1- 2-10(12(16)22-23(17,18)19 )13-24(20,21)7-8-4-3-5-9( 6-8)11(14)15/h3-6,10,13,1 6H,2,7H2,1H3,(H,14,15)(H2 ,17,18,19)/t10-/m0/s1; OKRPHJKYNCLTSY-JTQLQIEISA-N |
B([C@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)( O)OP(=O)(O)O; B(C(CC)NS(=O)(=O)Cc1cccc(c 1)C(=O)O)(O)OP(=O)(O)O; CC[C@H](N[S](=O) (=O)Cc1cccc(c1)C(O)=O)B(O)O[P](O)(O)=O; O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)OP(= O)(O)O; CC[CH](N[S](=O)(=O)Cc1cccc(c1)C( O)=O)B(O)O[P](O)(O)=O |
3-[(4R)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid |
| 36546 | OZP | 4 | C24 H32 N8 O6 | InChI=1S/C24H32N8O6/c25-1 5(24(36)37)6-8-31(7-2-4-1 3-3-1-5-14(9-13)21(27)35) 10-16-18(33)19(34)23(38-1 6)32-12-30-17-20(26)28-11 -29-22(17)32/h1,3,5,9,11- 12,15-16,18-19,23,33-34H, 2,4,6-8,10,25H2,(H2,27,35 )(H,36,37)(H2,26,28,29)/t 15-,16+,18+,19+,23-/m0/s1; VSETVFOQAVXGIV-LWXSJTDASA-N |
N[C@@H](CCN(CCCc1cccc(c1)C(N)=O)C[C@H]2O [C@@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34 )C(O)=O; c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H] (C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n 3cnc4c3ncnc4N)O)O; N[CH](CCN(CCCc1cccc(c 1)C(N)=O)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc 4c(N)ncnc34)C(O)=O; c1cc(cc(c1)C(=O)N)CC CN(CCC(C(=O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc 4N)O)O; c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N )C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N |
9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine |
| 36547 | OZQ | 1 | C22 H23 N O5 S | InChI=1S/C22H23NO5S/c1-4- 15-7-6-8-16(5-2)21(15)23- 29(26,27)20-10-9-17(11-14 (20)3)19-12-18(13-28-19)2 2(24)25/h6-13,23H,4-5H2,1 -3H3,(H,24,25); SECRWZHINJOGSU-UHFFFAOYSA-N |
CCc1cccc(c1NS(=O)(=O)c2ccc(cc2C)c3cc(co3 )C(=O)O)CC; CCc1cccc(CC)c1N[S](=O)(=O)c2 ccc(cc2C)c3occ(c3)C(O)=O |
5-[4-[(2,6-diethylphenyl)sulfamoyl]-3-methyl-phenyl]furan-3-carboxylic acid |
| 36548 | OZR ZINC000064746637 |
1 | C14 H16 N2 O8 | InChI=1S/C14H16N2O8/c17-9 -5-7(16(22)23)4-8(12(9)19 )14(21)15-3-1-2-11-13(20) 10(18)6-24-11/h1-2,4-5,10 -11,13,17-20H,3,6H2,(H,15 ,21)/b2-1+/t10-,11+,13-/m 0/s1; VDHNUEGZSFACAM-CNBGNIIQSA-N |
O[CH]1CO[CH](C=CCNC(=O)c2cc(cc(O)c2O)[N+ ]([O-])=O)[CH]1O; c1c(cc(c(c1C(=O)NCC=CC 2C(C(CO2)O)O)O)O)[N+](=O)[O-]; c1c(cc(c( c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O )O)O)[N+](=O)[O-]; [O-][N+](=O)c1cc(c(O) c(O)c1)C(=O)NC/C=C/C2OCC(O)C2O; O[C@H]1C O[C@H](\C=C\CNC(=O)c2cc(cc(O)c2O)[N+]([O -])=O)[C@H]1O |
N-[(E)-3-[(2R,3S,4S)-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide |
| 36549 | OZS ZINC000064746639 |
1 | C18 H17 F3 N4 O8 | InChI=1S/C18H17F3N4O8/c19 -18(20,21)12-6-24(7-23-12 )17-15(29)14(28)11(33-17) 2-1-3-22-16(30)9-4-8(25(3 1)32)5-10(26)13(9)27/h1-2 ,4-7,11,14-15,17,26-29H,3 H2,(H,22,30)/b2-1+/t11-,1 4-,15-,17-/m1/s1; VZQNYKXXPHSQLJ-LWULHLCXSA-N |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC( =O)c2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C (F)(F)F; c1c(cc(c(c1C(=O)NCC=CC2C(C(C(O2 )n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-]; [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)NC/C=C /C3OC(n2cnc(c2)C(F)(F)F)C(O)C3O; c1c(cc( c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H ](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[ O-]; O[CH]1[CH](O)[CH](O[CH]1C=CCNC(=O)c 2cc(cc(O)c2O)[N+]([O-])=O)n3cnc(c3)C(F)( F)F |
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(trifluoromethyl)imidazol-1-yl]oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide |
| 36550 | OZT ZINC000005085332 |
0 | C5 H7 N O4 | InChI=1S/C5H7NO4/c1-2-3(4 (7)8)6-5(9)10-2/h2-3H,1H3 ,(H,6,9)(H,7,8)/t2-,3+/m1 /s1; KYNKAUUXUQOZSQ-GBXIJSLDSA-N |
C[C@H]1OC(=O)N[C@@H]1C(O)=O; CC1C(NC(=O) O1)C(=O)O; C[C@@H]1[C@H](NC(=O)O1)C(=O)O ; C[CH]1OC(=O)N[CH]1C(O)=O |
(4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid |
| 36551 | OZU ZINC000005307420 |
1 | C8 H10 N2 O | InChI=1S/C8H10N2O/c1-2-8( 11)10-7-4-3-5-9-6-7/h3-6H ,2H2,1H3,(H,10,11); QQASUXQGFWJISL-UHFFFAOYSA-N |
CCC(=O)Nc1cccnc1 | ~{N}-pyridin-3-ylpropanamide |
| 36552 | OZV | 1 | C10 H16 N5 O18 P5 | InChI=1S/C10H16N5O18P5/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-7(17)6(16)4(28-10)1 -27-34(18,19)31-38(26)32- 36(22,23)29-35(20,21)30-3 7(24,25)33-38/h2-4,6-7,10 ,16-17H,1H2,(H,18,19)(H,2 0,21)(H,22,23)(H,24,25)(H 2,11,12,13)/t4-,6-,7-,10- /m1/s1; WWRLCZMRKAWYHG-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O [P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O )O4)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)[C@ H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4( =O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(= O)O[P]4(=O)O[P](O)(=O)O[P](O)(=O)O[P](O) (=O)O4)[C@@H](O)[C@H]3O; OP4(OP(OP(=O)(O P(O)(=O)OCC3C(C(C(n2c1c(c(N)ncn1)nc2)O3) O)O)OP(O4)(=O)O)(O)=O)=O; c1nc(c2c(n1)n( cn2)C3C(C(C(O3)COP(=O)(O)OP4(=O)OP(=O)(O P(=O)(OP(=O)(O4)O)O)O)O)O)N |
5'-O-[(R)-hydroxy{[(4R,8S)-4,6,8-trihydroxy-2,4,6,8-tetraoxo-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocan-2-yl]oxy}phosphoryl]adenosine |
| 36553 | OZW | 0 | C15 H17 N3 O2 | InChI=1S/C15H17N3O2/c16-1 4(15(19)20)10-11-6-8-13(9 -7-11)18-17-12-4-2-1-3-5- 12/h1-9,14,17-18H,10,16H2 ,(H,19,20)/t14-/m0/s1; ZLWCHZVFSZLPBY-AWEZNQCLSA-N |
c1ccc(cc1)NNc2ccc(cc2)C[C@@H](C(=O)O)N; c1ccc(cc1)NNc2ccc(cc2)CC(C(=O)O)N; N[CH] (Cc1ccc(NNc2ccccc2)cc1)C(O)=O; N[C@@H](C c1ccc(NNc2ccccc2)cc1)C(O)=O |
phenylhydrazinyl phenylalanine |
| 36554 | OZX | 3 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 15-7-3-5-12(19-15)8-16(21 )20-14-10-18-9-11-4-1-2-6 -13(11)14/h1-7,9-10H,8H2, (H,20,21); YZQKBSHQXMHNSJ-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2cncc3ccccc23)n1; c1ccc 2c(c1)cncc2NC(=O)Cc3cccc(n3)Cl; Clc1cccc (CC(=O)Nc2cncc3ccccc32)n1 |
2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| 36555 | OZY | 8 | C31 H56 N7 O18 P | InChI=1S/C31H56N7O18P/c1- 9-19(40)11(10(4-38-9)8-50 -57(47,48)49)5-37-6-15-22 (43)24(45)18(36)30(52-15) 55-27-16(7-39)53-31(25(27 )46)56-28-20(41)12(33)2-1 3(34)26(28)54-29-17(35)23 (44)21(42)14(3-32)51-29/h 4,12-18,20-31,37,39-46H,2 -3,5-8,32-36H2,1H3,(H2,47 ,48,49)/t12-,13+,14-,15-, 16-,17-,18-,20+,21-,22-,2 3-,24-,25-,26-,27-,28-,29 -,30-,31+/m1/s1; XKWYFXMYGMVOPV-AWIIFLAXSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H] ([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C @H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H ]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H ](O5)CN)O)O)N)N)N)O)CO)N)O)O)O; Cc1ncc(C O[P](O)(O)=O)c(CNC[C@H]2O[C@H](O[C@H]3[C @@H](O)[C@@H](O[C@@H]3CO)O[C@@H]4[C@@H]( O)[C@H](N)C[C@H](N)[C@H]4O[C@H]5O[C@H](C N)[C@@H](O)[C@H](O)[C@H]5N)[C@H](N)[C@@H ](O)[C@@H]2O)c1O; Cc1c(c(c(cn1)COP(=O)(O )O)CNCC2C(C(C(C(O2)OC3C(OC(C3O)OC4C(C(CC (C4OC5C(C(C(C(O5)CN)O)O)N)N)N)O)CO)N)O)O )O; Cc1ncc(CO[P](O)(O)=O)c(CNC[CH]2O[CH] (O[CH]3[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O )[CH](N)C[CH](N)[CH]4O[CH]5O[CH](CN)[CH] (O)[CH](O)[CH]5N)[CH](N)[CH](O)[CH]2O)c1 O; O=P(O)(O)OCc1cnc(c(c1CNCC2C(O)C(C(C(O 2)OC3C(CO)OC(C3O)OC5C(OC4C(C(C(C(O4)CN)O )O)N)C(N)CC(C5O)N)N)O)O)C |
|
| 36556 | OZZ ZINC000064744342 |
1 | C19 H19 N3 O9 | InChI=1S/C19H19N3O9/c23-1 1-3-6-21(7-4-11)19-17(27) 16(26)14(31-19)2-1-5-20-1 8(28)12-8-10(22(29)30)9-1 3(24)15(12)25/h1-4,6-9,14 ,16-17,19,24-27H,5H2,(H,2 0,28)/b2-1+/t14-,16-,17-, 19-/m1/s1; HVTOTCCLXQPREB-LDNIWRHMSA-N |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1\C=C\CNC( =O)c2cc(cc(O)c2O)[N+]([O-])=O)N3C=CC(=O) C=C3; [O-][N+](=O)c1cc(c(O)c(O)c1)C(=O)N C/C=C/C3OC(N2C=CC(=O)C=C2)C(O)C3O; c1c(c c(c(c1C(=O)NCC=CC2C(C(C(O2)N3C=CC(=O)C=C 3)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C(=O) NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C= CC(=O)C=C3)O)O)O)O)[N+](=O)[O-]; O[CH]1[ CH](O)[CH](O[CH]1C=CCNC(=O)c2cc(cc(O)c2O )[N+]([O-])=O)N3C=CC(=O)C=C3 |
N-[(E)-3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxopyridin-1-yl)oxolan-2-yl]prop-2-enyl]-2,3-dihydroxy-5-nitro-benzamide |
| 36557 | P ZINC000058633629 |
2 | C13 H18 N5 O7 P | InChI=1S/C13H18N5O7P/c19- 7-4-9(25-8(7)5-24-26(21,2 2)23)18-6-15-10-11(18)16- 13-14-2-1-3-17(13)12(10)2 0/h6-9,19H,1-5H2,(H,14,16 )(H2,21,22,23)/t7-,8+,9+/ m0/s1; KFIWNSGDRAITKG-DJLDLDEBSA-N |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1[C@H]3C[ C@@H]([C@H](O3)COP(=O)(O)O)O)N=C4NCCCN4C 2=O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2c nc3C(=O)N4CCCNC4=Nc23; c1nc2c(n1C3CC(C(O 3)COP(=O)(O)O)O)N=C4NCCCN4C2=O; O=C2c3nc n(c3N=C1NCCCN12)C4OC(C(O)C4)COP(=O)(O)O |
2'-DEOXY-N1,N2-PROPANO GUANOSINE MONOPHOSPHATE |
| 36558 | P00 ZINC000098209278 |
7 | C12 H18 N3 O8 P | InChI=1S/C12H18N3O8P/c1-7 -11(16)9(5-15-22-3-2-10(1 3)12(17)18)8(4-14-7)6-23- 24(19,20)21/h4-5,10,16H,2 -3,6,13H2,1H3,(H,17,18)(H 2,19,20,21)/b15-5+/t10-/m 0/s1; HDUKWWSNPJPYAB-XSFFOXFNSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=NOCC[CH](N)C(O) =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OC C[C@@H](C(=O)O)N)O; Cc1c(c(c(cn1)COP(=O) (O)O)C=NOCCC(C(=O)O)N)O; Cc1ncc(CO[P](O) (O)=O)c(\C=N\OCC[C@H](N)C(O)=O)c1O |
(2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid |
| 36559 | P01 CHEMBL23327 DB04751 ZINC000000582575 |
4 | C19 H25 Cl N6 O | InChI=1S/C19H25ClN6O/c1-1 1(2)15(9-27)23-19-24-17(2 2-14-7-5-6-13(20)8-14)16- 18(25-19)26(10-21-16)12(3 )4/h5-8,10-12,15,27H,9H2, 1-4H3,(H2,22,23,24,25)/t1 5-/m0/s1; PMXCMJLOPOFPBT-HNNXBMFYSA-N |
Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C) C)CO; CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C (C)C)Nc3cccc(c3)Cl; CC(C)[CH](CO)Nc1nc(N c2cccc(Cl)c2)c3ncn(C(C)C)c3n1; CC(C)[C@H ](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n 1; CC(C)C(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc 3cccc(c3)Cl |
2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL; PURVALANOL A |
| 36560 | P02 ZINC000263621253 |
1 | C20 H25 F N6 O2 S2 | InChI=1S/C20H25FN6O2S2/c1 -6-27(5)31(28,29)26-13-9- 7-8-12(15(13)21)16-17(14- 10-11-23-19(22)24-14)30-1 8(25-16)20(2,3)4/h7-11,26 H,6H2,1-5H3,(H2,22,23,24); YBUJMZKTOUBMGW-UHFFFAOYSA-N |
CCN(C)[S](=O)(=O)Nc1cccc(c1F)c2nc(sc2c3c cnc(N)n3)C(C)(C)C; O=S(=O)(N(CC)C)Nc3c(F )c(c1nc(sc1c2nc(ncc2)N)C(C)(C)C)ccc3; CC N(C)S(=O)(=O)Nc1cccc(c1F)c2c(sc(n2)C(C)( C)C)c3ccnc(n3)N |
N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide |
| 36561 | P03 ZINC000058633634 |
2 | C10 H22 O5 | InChI=1S/C10H22O5/c11-3-9 -14-7-1-5-13-6-2-8-15-10- 4-12/h11-12H,1-10H2; GNAZJSIZGCDIQL-UHFFFAOYSA-N |
OCCOCCCOCCCOCCO; C(COCCCOCCO)COCCO | 2-[3-[3-(2-hydroxyethoxy)propoxy]propoxy]ethanol |
| 36562 | P04 CHEMBL404508 DB08338 ZINC000029129113 |
1 | C19 H21 N7 O | InChI=1S/C19H21N7O/c27-16 -7-2-1-4-12-11-20-26-17(1 2)24-18(25-19(26)23-13-8- 9-13)22-15-6-3-5-14(10-15 )21-16/h3,5-6,10-11,13H,1 -2,4,7-9H2,(H,21,27)(H2,2 2,23,24,25); HIJNSOUPEZHEMC-UHFFFAOYSA-N |
O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)C CCC5; c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc 4NC5CC5)N2; O=C1CCCCc2cnn3c(NC4CC4)nc(Nc 5cccc(N1)c5)nc23 |
19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one |
| 36563 | P05 ZINC000095920844 |
1 | C20 H24 N4 O2 | InChI=1S/C20H24N4O2/c21-1 7(13-15-5-2-1-3-6-15)20(2 6)24-12-4-7-18(24)19(25)2 3-14-16-8-10-22-11-9-16/h 1-3,5-6,8-11,17-18H,4,7,1 2-14,21H2,(H,23,25)/t17-, 18+/m1/s1; NYODECMUQISAKD-MSOLQXFVSA-N |
N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NC c3ccncc3; c1ccc(cc1)CC(C(=O)N2CCCC2C(=O) NCc3ccncc3)N; c1ccc(cc1)C[C@H](C(=O)N2CC C[C@H]2C(=O)NCc3ccncc3)N; N[CH](Cc1ccccc 1)C(=O)N2CCC[CH]2C(=O)NCc3ccncc3; O=C(NC c1ccncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 |
D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide |
| 36564 | P06 CHEMBL2028663 DB08912 ZINC000068153186 |
12 | C23 H20 F3 N5 O2 S2 | InChI=1S/C23H20F3N5O2S2/c 1-23(2,3)21-30-18(19(34-2 1)16-10-11-28-22(27)29-16 )12-6-4-9-15(17(12)26)31- 35(32,33)20-13(24)7-5-8-1 4(20)25/h4-11,31H,1-3H3,( H2,27,28,29); BFSMGDJOXZAERB-UHFFFAOYSA-N |
CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F )NS(=O)(=O)c4c(cccc4F)F; c4(N)nc(c1c(nc( s1)C(C)(C)C)c2c(c(ccc2)NS(=O)(=O)c3c(ccc c3F)F)F)ccn4; CC(C)(C)c1sc(c2ccnc(N)n2)c (n1)c3cccc(N[S](=O)(=O)c4c(F)cccc4F)c3F |
Dabrafenib; N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide |
| 36565 | P07 | 1 | C20 H18 N6 | InChI=1S/C20H18N6/c1-3-25 -19-15-11-7-5-9-13(15)18- 20(26(4-2)24-22-18)16-12- 8-6-10-14(16)17(19)21-23- 25/h5-12H,3-4H2,1-2H3/b17 -14+,18-13+,19-15+,20-16+; YRZRZRBFIALCLI-MKVCYXFSSA-N |
CCn1nnc2c3ccccc3c4n(CC)nnc4c5ccccc5c12; CCn1c-2c(nn1)-c3ccccc3-c4c(nnn4CC)-c5c2c ccc5; n1nn(c4c1c5c(c2c(nnn2CC)c3ccccc34) cccc5)CC |
1,8-DIETHYL-1,8-DIHYDRODIBENZO[3,4:7,8][1,2,3]TRIAZOLO[4',5':5,6]CYCLOOCTA[1,2-D][1,2,3]TRIAZOLE |
| 36566 | P08 ZINC000101517114 |
2 | C22 H24 N2 O3 | InChI=1S/C22H24N2O3/c1-15 -12-18(16(2)23-17-6-4-3-5 -7-17)22-19(13-15)20(25)1 4-21(27-22)24-8-10-26-11- 9-24/h3-7,12-14,16,23H,8- 11H2,1-2H3/t16-/m0/s1; VRCXIJAYLCUSHC-INIZCTEOSA-N |
C[CH](Nc1ccccc1)c2cc(C)cc3C(=O)C=C(Oc23) N4CCOCC4; C[C@H](Nc1ccccc1)c2cc(C)cc3C(= O)C=C(Oc23)N4CCOCC4; Cc1cc2c(c(c1)[C@H]( C)Nc3ccccc3)OC(=CC2=O)N4CCOCC4; O=C1C=C( Oc2c1cc(cc2C(Nc3ccccc3)C)C)N4CCOCC4; Cc1 cc2c(c(c1)C(C)Nc3ccccc3)OC(=CC2=O)N4CCOC C4 |
PIK-108 |
| 36567 | P09 ZINC000003039535 |
1 | C22 H19 N O4 | InChI=1S/C22H19NO4/c1-14- 7-10-18(13-15(14)2)27-17- 11-8-16(9-12-17)23-21(24) 19-5-3-4-6-20(19)22(25)26 /h3-13H,1-2H3,(H,23,24)(H ,25,26); NZJZJKJPXZZEEC-UHFFFAOYSA-N |
Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)c c1C; Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3cccc c3C(=O)O; O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2c c(c(cc2)C)C)cc3 |
2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid; BPH-1299 |
| 36568 | P0A ZINC000002169351 |
11 | C7 H13 N O4 | InChI=1S/C7H13NO4/c8-5(7( 11)12)3-1-2-4-6(9)10/h5H, 1-4,8H2,(H,9,10)(H,11,12) /t5-/m1/s1; JUQLUIFNNFIIKC-RXMQYKEDSA-N |
C(CCC(=O)O)C[C@H](C(=O)O)N; O=C(O)C(N)CC CCC(=O)O; C(CCC(=O)O)CC(C(=O)O)N; N[CH]( CCCCC(O)=O)C(O)=O; N[C@H](CCCCC(O)=O)C(O )=O |
(2R)-2-aminoheptanedioic acid |
| 36569 | P0B ZINC000044867504 |
2 | C13 H13 Cl F N3 O2 | InChI=1S/C13H13ClFN3O2/c1 -18(6-8-5-12(19)17-13(20) 16-8)7-9-10(14)3-2-4-11(9 )15/h2-5H,6-7H2,1H3,(H2,1 6,17,19,20); WRXCNKOWDSUZRN-UHFFFAOYSA-N |
CN(Cc1c(cccc1Cl)F)CC2=CC(=O)NC(=O)N2; CN (CC1=CC(=O)NC(=O)N1)Cc2c(F)cccc2Cl |
6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| 36570 | P0C ZINC000043771839 |
1 | C12 H15 N3 O5 | InChI=1S/C12H15N3O5/c1-5- 2-6-3-15(12(19)14-10(6)13 -5)11-9(18)8(17)7(4-16)20 -11/h2-3,7-9,11,16-18H,4H 2,1H3,(H,13,14,19)/t7-,8- ,9-,11-/m1/s1; GCNYJWODKQPZDE-TURQNECASA-N |
CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@ H]([C@H](O3)CO)O)O; CC1=CC2=CN([C@@H]3O[ C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1; CC 1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(= O)N=C2N1; O=C1N=C3C(=CN1C2OC(C(O)C2O)CO) C=C(N3)C; CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C (O3)CO)O)O |
6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one; 6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one |
| 36571 | P0D ZINC000098209279 |
1 | C12 H19 N O7 P2 | InChI=1S/C12H19NO7P2/c1-9 (13)21(16,20-22(17,18)19) 8-11(12(14)15)7-10-5-3-2- 4-6-10/h2-6,9,11H,7-8,13H 2,1H3,(H,14,15)(H2,17,18, 19)/t9-,11-,21+/m1/s1; KXASHFLSUHEZCK-UODZXCQVSA-N |
CC(N)P(=O)(CC(Cc1ccccc1)C(=O)O)OP(=O)(O) O; C[CH](N)[P](=O)(C[CH](Cc1ccccc1)C(O)= O)O[P](O)(O)=O; C[C@H](N)[P@](=O)(C[C@@H ](Cc1ccccc1)C(O)=O)O[P](O)(O)=O; O=C(O)C (CP(=O)(OP(=O)(O)O)C(N)C)Cc1ccccc1; C[C@ H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)O P(=O)(O)O |
(2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid |
| 36572 | P0E DB04752 ZINC000098209280 |
7 | C39 H73 O9 P | InChI=1S/C39H73O9P/c1-3-5 -7-9-11-13-15-17-18-20-21 -23-25-27-29-31-38(41)45- 35-37(36-47-49(43,44)46-3 4-33-40)48-39(42)32-30-28 -26-24-22-19-16-14-12-10- 8-6-4-2/h14,16-18,37,40H, 3-13,15,19-36H2,1-2H3,(H, 43,44)/b16-14-,18-17-/t37 -/m0/s1; PGYPLYNHOCZJEB-JSTCSLLMSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC O)OC(=O)CCCCCCCC=CCCCCCC; O=C(OC(COP(=O) (OCCO)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCC CCC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O )OC[C@@H](CO[P@@](O)(=O)OCCO)OC(=O)CCCCC CC\C=C/CCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O) OC[C@@H](CO[P@](=O)(O)OCCO)OC(=O)CCCCCCC \C=C/CCCCCC; CCCCCCCCC=CCCCCCCCC(=O)OC[C H](CO[P](O)(=O)OCCO)OC(=O)CCCCCCCC=CCCCC CC |
PHOSPHATIDYL ETHANOL; (2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE |
| 36573 | P0F CHEMBL4079354 |
1 | C15 H12 Cl F N4 O | InChI=1S/C15H12ClFN4O/c16 -12-5-2-6-13(17)11(12)8-1 8-15-19-14(20-21-15)9-3-1 -4-10(22)7-9/h1-7,22H,8H2 ,(H2,18,19,20,21); AAAVVDAKZZKRGS-UHFFFAOYSA-N |
Oc1cccc(c1)c2[nH]c(NCc3c(F)cccc3Cl)nn2; c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F ; Clc1cccc(F)c1CNc2nnc(n2)c3cc(O)ccc3 |
3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol |
| 36574 | P0G CHEMBL1615159 ZINC000045302446 |
9 | C21 H26 N2 O4 | InChI=1S/C21H26N2O4/c1-13 -6-4-5-7-14(13)10-21(2,3) 22-11-17(25)15-8-9-16(24) 19-20(15)27-12-18(26)23-1 9/h4-9,17,22,24-25H,10-12 H2,1-3H3,(H,23,26)/t17-/m 0/s1; NWQXBEWHTDRJIP-KRWDZBQOSA-N |
Cc1ccccc1CC(C)(C)NC[CH](O)c2ccc(O)c3NC(= O)COc23; O=C1Nc2c(O)ccc(c2OC1)C(O)CNC(C) (C)Cc3ccccc3C; Cc1ccccc1CC(C)(C)NC[C@@H] (c2ccc(c3c2OCC(=O)N3)O)O; Cc1ccccc1CC(C) (C)NC[C@H](O)c2ccc(O)c3NC(=O)COc23; Cc1c cccc1CC(C)(C)NCC(c2ccc(c3c2OCC(=O)N3)O)O |
8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one |
| 36575 | P0H ZINC000002004342 |
1 | C15 H18 N2 O5 | InChI=1S/C15H18N2O5/c18-1 3(17-8-4-7-12(17)14(19)20 )9-16-15(21)22-10-11-5-2- 1-3-6-11/h1-3,5-6,12H,4,7 -10H2,(H,16,21)(H,19,20)/ t12-/m0/s1; ZTUKZKYDJMGJDC-LBPRGKRZSA-N |
O=C(N1C(C(=O)O)CCC1)CNC(=O)OCc2ccccc2; O C(=O)[CH]1CCCN1C(=O)CNC(=O)OCc2ccccc2; O C(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc2ccccc2; c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O )O; c1ccc(cc1)COC(=O)NCC(=O)N2CCCC2C(=O) O |
N-[(benzyloxy)carbonyl]glycyl-L-proline |
| 36576 | P0I | 2 | C26 H33 N3 O3 | InChI=1S/C26H33N3O3/c30-2 5(22-10-7-13-24(20-22)32- 19-14-21-8-3-1-4-9-21)28- 15-17-29(18-16-28)26(31)2 7-23-11-5-2-6-12-23/h2,5- 7,10-13,20-21H,1,3-4,8-9, 14-19H2,(H,27,31); LWLAYULJAJMPKG-UHFFFAOYSA-N |
O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC 2CCCCC2)c1; c1ccc(cc1)NC(=O)N2CCN(CC2)C( =O)c3cccc(c3)OCCC4CCCCC4; O=C(Nc1ccccc1) N2CCN(CC2)C(=O)c3cccc(OCCC4CCCCC4)c3 |
4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide |
| 36577 | P0J | 1 | H4 O12 P4 | InChI=1S/H4O12P4/c1-13(2) 9-14(3,4)11-16(7,8)12-15( 5,6)10-13/h(H,1,2)(H,3,4) (H,5,6)(H,7,8); GIXFALHDORQSOQ-UHFFFAOYSA-N |
O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(= O)O1; OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O )O; O1P(O)(OP(O)(=O)OP(OP1(=O)O)(=O)O)=O |
2,4,6,8-tetrahydroxy-1,3,5,7,2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~-tetroxatetraphosphocane-2,4,6,8-tetrone |
| 36578 | P0K | 2 | C11 H13 N3 O3 | InChI=1S/C11H13N3O3/c1-14 (7-9-3-2-4-17-9)6-8-5-10( 15)13-11(16)12-8/h2-4H,5- 7H2,1H3,(H,13,15,16); PWXNLVGSEBBXAV-UHFFFAOYSA-N |
CN(Cc1ccco1)CC2=NC(=O)NC(=O)C2; CN(CC1=N C(=O)NC(=O)C1)Cc2occc2 |
6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
| 36579 | P0L ZINC000098209281 |
0 | C14 H22 N O5 P | InChI=1S/C14H22NO5P/c1-10 (2)8-13(15)21(18,19)20-12 (14(16)17)9-11-6-4-3-5-7- 11/h3-7,10,12-13H,8-9,15H 2,1-2H3,(H,16,17)(H,18,19 )/t12-,13+/m0/s1; NWWDZELTKBSVDG-QWHCGFSZSA-N |
O=C(O)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1; C C(C)C[C@H](N)[P@](=O)(O)O[C@@H](Cc1ccccc 1)C(=O)O; CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1 )C(=O)O; CC(C)C[C@H](N)[P](O)(=O)O[C@@H] (Cc1ccccc1)C(O)=O; CC(C)C[CH](N)[P](O)(= O)O[CH](Cc1ccccc1)C(O)=O |
(2S)-2-{[(S)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
| 36580 | P0M | 2 | C12 H11 N O5 | InChI=1S/C12H11NO5/c13-9( 12(16)17)3-6-4-11(15)18-1 0-5-7(14)1-2-8(6)10/h1-2, 4-5,9,14H,3,13H2,(H,16,17 )/t9-/m0/s1; UURZOUPNUFWGBS-VIFPVBQESA-N |
c1cc2c(cc1O)OC(=O)C=C2CC(C(=O)O)N; c1cc2 c(cc1O)OC(=O)C=C2C[C@@H](C(=O)O)N; N[CH] (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O; N[C@@H] (CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O |
(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid |
| 36581 | P0N ZINC000011803233 |
3 | C12 H16 Cl N O | InChI=1S/C12H16ClNO/c1-12 (2)8-15-11(7-14-12)9-5-3- 4-6-10(9)13/h3-6,11,14H,7 -8H2,1-2H3/t11-/m0/s1; DFWMZTVATFWCIA-NSHDSACASA-N |
CC1(COC(CN1)c2ccccc2Cl)C; CC1(CO[C@@H](C N1)c2ccccc2Cl)C; CC1(C)CO[C@@H](CN1)c2cc ccc2Cl; CC1(C)CO[CH](CN1)c2ccccc2Cl |
(2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine |
| 36582 | P0O | 1 | C29 H47 N5 O5 | InChI=1S/C29H47N5O5/c1-16 (35)10-11-18(14-17-12-13- 30-23(17)36)31-24(37)21-2 0-19(29(20,8)9)15-34(21)2 5(38)22(27(2,3)4)32-26(39 )33-28(5,6)7/h10-11,17-22 H,12-15H2,1-9H3,(H,30,36) (H,31,37)(H2,32,33,39)/b1 1-10+/t17-,18+,19-,20-,21 -,22+/m0/s1; BKLMFWOPPAUWNX-NWKMKTNDSA-N |
CC(=O)C=CC(CC1CCNC1=O)NC(=O)C2C3C(C3(C)C )CN2C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C; CC( =O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@ H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)NC( C)(C)C)C(C)(C)C)C3(C)C; CC(=O)C=C[C@H](C [C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H ](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC (C)(C)C; CC(=O)C=C[CH](C[CH]1CCNC1=O)NC( =O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)NC( C)(C)C)C(C)(C)C)C3(C)C |
(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 36583 | P0P ZINC000034150383 |
2 | C8 H12 N O7 P | InChI=1S/C8H12NO7P/c1-4-7 (10)6(8(11)12)5(2-9-4)3-1 6-17(13,14)15/h2,8,10-12H ,3H2,1H3,(H2,13,14,15); WNSLUVKENIMLGR-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O; O=P(O) (O)OCc1cnc(c(O)c1C(O)O)C; Cc1ncc(CO[P](O )(O)=O)c(C(O)O)c1O |
[4-(DIHYDROXYMETHYL)-5-HYDROXY-6-METHYLPYRIDIN-3-YL]METHYL DIHYDROGEN PHOSPHATE |
| 36584 | P0Q ZINC000036673008 |
1 | C13 H18 Cl N O | InChI=1S/C13H18ClNO/c1-9- 12(16-8-13(2,3)15-9)10-5- 4-6-11(14)7-10/h4-7,9,12, 15H,8H2,1-3H3/t9-,12+/m1/ s1; KLPHSXVQSDRPPX-SKDRFNHKSA-N |
C[C@H]1NC(C)(C)CO[C@@H]1c2cccc(Cl)c2; C[ CH]1NC(C)(C)CO[CH]1c2cccc(Cl)c2; C[C@@H] 1[C@H](OCC(N1)(C)C)c2cccc(c2)Cl; CC1C(OC C(N1)(C)C)c2cccc(c2)Cl |
(2~{R},3~{R})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholine |
| 36585 | P0S ZINC000257373260 |
2 | H6 O18 P6 | InChI=1S/H6O18P6/c1-19(2) 13-20(3,4)15-22(7,8)17-24 (11,12)18-23(9,10)16-21(5 ,6)14-19/h(H,1,2)(H,3,4)( H,5,6)(H,7,8)(H,9,10)(H,1 1,12); SZGVJLCXTSBVKL-UHFFFAOYSA-N |
O[P]1(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(= O)O[P](O)(=O)O[P](O)(=O)O1; O=P1(OP(=O)( O)OP(O)(OP(OP(OP(O)(O1)=O)(O)=O)(=O)O)=O )O; OP1(=O)OP(=O)(OP(=O)(OP(=O)(OP(=O)(O P(=O)(O1)O)O)O)O)O |
2,4,6,8,10,12-hexahydroxy-2lambda~5~,4lambda~5~,6lambda~5~,8lambda~5~,10lambda~5~,12lambda~5~-cyclohexaphosphoxane-2,4,6,8,10,12-hexone |
| 36586 | P0T CHEMBL190461 DB09061 ZINC000004097406 |
78 | C21 H30 O2 | InChI=1S/C21H30O2/c1-5-6- 7-8-16-12-19(22)21(20(23) 13-16)18-11-15(4)9-10-17( 18)14(2)3/h11-13,17-18,22 -23H,2,5-10H2,1,3-4H3/t17 -,18+/m0/s1; QHMBSVQNZZTUGM-ZWKOTPCHSA-N |
C(=C)(\C)C1C(C=C(C)CC1)c2c(cc(cc2O)CCCCC )O; CCCCCc1cc(c(c(c1)O)C2C=C(CCC2C(=C)C) C)O; CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2 C(C)=C)c(O)c1; CCCCCc1cc(c(c(c1)O)[C@@H] 2C=C(CC[C@H]2C(=C)C)C)O; CCCCCc1cc(O)c([ CH]2C=C(C)CC[CH]2C(C)=C)c(O)c1 |
cannabidiol; (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol |
| 36587 | P0U CHEMBL5220623 |
1 | C14 H17 N O3 | InChI=1S/C14H17NO3/c1-9-1 1-8-13(18-4)12(17-3)7-10( 11)5-6-15(2)14(9)16/h5-9H ,1-4H3/t9-/m1/s1; DIOZLEANHAFFJH-SECBINFHSA-N |
COc1cc2C=CN(C)C(=O)[C@H](C)c2cc1OC; CC1c 2cc(c(cc2C=CN(C1=O)C)OC)OC; C[C@@H]1c2cc (c(cc2C=CN(C1=O)C)OC)OC; COc1cc2C=CN(C)C (=O)[CH](C)c2cc1OC |
(1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one |
| 36588 | P0V | 4 | C24 H28 N8 O6 | InChI=1S/C24H28N8O6/c25-1 5(24(36)37)6-8-31(7-2-4-1 3-3-1-5-14(9-13)21(27)35) 10-16-18(33)19(34)23(38-1 6)32-12-30-17-20(26)28-11 -29-22(17)32/h1,3,5,9,11- 12,15-16,18-19,23,33-34H, 6-8,10,25H2,(H2,27,35)(H, 36,37)(H2,26,28,29)/t15-, 16-,18+,19+,23+/m1/s1; BWPXKNJHQXYKGO-VUZQMMKOSA-N |
N[C@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]2O [C@@H]([C@@H](O)[C@H]2O)n3cnc4c(N)ncnc34 )C(O)=O; c1cc(cc(c1)C(=O)N)C#CCN(CCC(C(= O)O)N)CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1 cc(cc(c1)C(=O)N)C#CCN(CC[C@H](C(=O)O)N)C [C@@H]2[C@@H]([C@@H]([C@H](O2)n3cnc4c3nc nc4N)O)O; N[CH](CCN(CC#Cc1cccc(c1)C(N)=O )C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncn c34)C(O)=O; c1c(cccc1C#CCN(CC4C(C(C(n3c2 ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O |
9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine |
| 36589 | P0W ZINC000058265287 |
1 | C16 H17 N5 O2 | InChI=1S/C16H17N5O2/c1-20 (11-13-9-15(22)18-16(23)1 7-13)10-12-7-8-21(19-12)1 4-5-3-2-4-6-14/h2-9H,10-1 1H2,1H3,(H2,17,18,22,23); QEPPSXRODAKRSU-UHFFFAOYSA-N |
CN(Cc1ccn(n1)c2ccccc2)CC3=CC(=O)NC(=O)N3 ; CN(CC1=CC(=O)NC(=O)N1)Cc2ccn(n2)c3cccc c3 |
6-[[methyl-[(1-phenylpyrazol-3-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione |
| 36590 | P0X | 1 | C20 H16 Cl N3 O3 | InChI=1S/C20H16ClN3O3/c21 -13-4-3-5-14(10-13)24-9-8 -23(12-19(24)26)20(27)16- 11-18(25)22-17-7-2-1-6-15 (16)17/h1-7,10-11H,8-9,12 H2,(H,22,25); BJJZCSKOWCBJFK-UHFFFAOYSA-N |
O=C(C1=CC(=O)Nc2ccccc21)N1CC(=O)N(CC1)c1 cccc(Cl)c1; c1ccc2c(c1)C(=CC(=O)N2)C(=O) N3CCN(C(=O)C3)c4cccc(c4)Cl; Clc1cccc(c1) N2CCN(CC2=O)C(=O)C3=CC(=O)Nc4ccccc34 |
4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one |
| 36591 | P0Y ZINC000098209282 |
0 | C22 H29 N3 O3 S | InChI=1S/C22H29N3O3S/c23- 19(11-16-5-2-1-3-6-16)21( 26)14-25-10-8-18(12-20(25 )22(27)28)29-15-17-7-4-9- 24-13-17/h1-7,9,13,18-21, 26H,8,10-12,14-15,23H2,(H ,27,28)/t18-,19+,20+,21-/ m1/s1; ZHXWLXZCNVHJFZ-IVAOSVALSA-N |
c1ccc(cc1)CC(C(CN2CCC(CC2C(=O)O)SCc3cccn c3)O)N; N[C@@H](Cc1ccccc1)[C@H](O)CN2CC[ C@H](C[C@H]2C(O)=O)SCc3cccnc3; N[CH](Cc1 ccccc1)[CH](O)CN2CC[CH](C[CH]2C(O)=O)SCc 3cccnc3; O=C(O)C3N(CC(O)C(N)Cc1ccccc1)CC C(SCc2cccnc2)C3; c1ccc(cc1)C[C@@H]([C@@H ](C[N@@]2CC[C@H](C[C@H]2C(=O)O)SCc3cccnc 3)O)N |
(2S,4R)-1-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-[(pyridin-3-ylmethyl)sulfanyl]piperidine-2-carboxylic acid |
| 36592 | P0Z ZINC000067230545 |
1 | C17 H25 N3 O3 | InChI=1S/C17H25N3O3/c1-17 (2)12-23-14(13-7-5-4-6-8- 13)11-20(17)10-9-15(21)19 -16(22)18-3/h4-8,14H,9-12 H2,1-3H3,(H2,18,19,21,22) /t14-/m0/s1; IDBQMLQPFSYUGO-AWEZNQCLSA-N |
CC1(COC(CN1CCC(=O)NC(=O)NC)c2ccccc2)C; C NC(=O)NC(=O)CCN1C[CH](OCC1(C)C)c2ccccc2; CC1(CO[C@@H](CN1CCC(=O)NC(=O)NC)c2ccccc 2)C; CNC(=O)NC(=O)CCN1C[C@H](OCC1(C)C)c2 ccccc2 |
3-[(2~{R})-5,5-dimethyl-2-phenyl-morpholin-4-yl]-~{N}-(methylcarbamoyl)propanamide |
| 36593 | P10 DB02128 ZINC000012501625 |
1 | C27 H29 N3 O5 | InChI=1S/C27H29N3O5/c31-1 8-25(32)23(14-13-20-8-3-1 -4-9-20)29-26(33)24(16-21 -10-5-2-6-11-21)30-27(34) 35-19-22-12-7-15-28-17-22 /h1-12,15,17,23-24,31H,13 -14,16,18-19H2,(H,29,33)( H,30,34)/t23-,24-/m0/s1; QCUBCTPTNWPFBC-ZEQRLZLVSA-N |
OCC(=O)[CH](CCc1ccccc1)NC(=O)[CH](Cc2ccc cc2)NC(=O)OCc3cccnc3; OCC(=O)[C@H](CCc1c cccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3cc cnc3; O=C(CO)C(NC(=O)C(NC(=O)OCc1cccnc1) Cc2ccccc2)CCc3ccccc3; c1ccc(cc1)CC[C@@H] (C(=O)CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc 3cccnc3; c1ccc(cc1)CCC(C(=O)CO)NC(=O)C(C c2ccccc2)NC(=O)OCc3cccnc3 |
[1-(3-HYDROXY-2-OXO-1-PHENETHYL-PROPYLCARBAMOYL)2-PHENYL-ETHYL]-CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER |
| 36594 | P11 | 0 | C41 H56 N17 O8 | InChI=1S/C41H55N17O8/c1-5 3(2)17-8-12-42-31(59)9-13 -44-37(62)28-20-26(22-56( 28)5)48-41(66)36-52-30(24 -58(36)7)50-33(61)11-15-4 6-39(64)35-51-29(23-57(35 )6)49-32(60)10-14-45-38(6 3)27-19-25(21-55(27)4)47- 40(65)34-43-16-18-54(34)3 /h16,18-24H,8-15,17H2,1-7 H3,(H,42,59)(H,44,62)(H,4 5,63)(H,46,64)(H,47,65)(H ,48,66)(H,49,60)(H,50,61) /p+1; XZTAUBIMIILCRT-UHFFFAOYSA-O |
O=C(c3nc(NC(=O)CCNC(=O)c2cc(NC(=O)c1nccn 1C)cn2C)cn3C)NCCC(=O)Nc5nc(C(=O)Nc4cc(C( =O)NCCC(=O)NCCC[NH+](C)C)n(c4)C)n(c5)C; Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=O)N c3cn(c(n3)C(=O)NCCC(=O)Nc4cn(c(n4)C(=O)N c5cc(n(c5)C)C(=O)NCCC(=O)NCCC[NH+](C)C)C )C; Cn1ccnc1C(=O)Nc2cn(C)c(c2)C(=O)NCCC( =O)Nc3cn(C)c(n3)C(=O)NCCC(=O)Nc4cn(C)c(n 4)C(=O)Nc5cn(C)c(c5)C(=O)NCCC(=O)NCCC[NH +](C)C |
IMIDAZOLE-PYRROLE-BETA ALANINE-IMIDAZOLE-BETA ALANINE-IMIDAZOLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE |
| 36595 | P12 | 0 | C16 H29 N5 O2 | InChI=1S/C16H27N5O2/c1-22 -14-3-4-15(23-10-2-5-17)1 3(11-14)12-20-6-8-21(9-7- 20)16(18)19/h3-4,11H,2,5- 10,12,17H2,1H3,(H3,18,19) /p+2; XWWAFELYNPUCDX-UHFFFAOYSA-P |
[N@H]=C(N)N2CC[NH+](Cc1cc(OC)ccc1OCCC[NH 3+])CC2; [H]N=C(N)N1CC[NH+](CC1)Cc2cc(cc c2OCCC[NH3+])OC; COc1ccc(OCCC[NH3+])c(C[ NH+]2CCN(CC2)C(N)=N)c1; [H]/N=C(\N)/N1CC [NH+](CC1)Cc2cc(ccc2OCCC[NH3+])OC |
4-[AMINO(IMINO)METHYL]-1-[2-(3-AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-1-IUM; RBT205 INHIBITOR |
| 36596 | P13 ZINC000022040670 |
0 | C24 H33 N5 O | InChI=1S/C24H33N5O/c25-7- 1-15-30-24-5-3-20(19-2-4- 23-21(16-19)6-8-28-23)17- 22(24)18-27-11-14-29-12-9 -26-10-13-29/h2-6,8,16-17 ,26-28H,1,7,9-15,18,25H2; WVRJFVULANTNJW-UHFFFAOYSA-N |
NCCCOc1ccc(cc1CNCCN2CCNCC2)c3ccc4[nH]ccc 4c3; O(c3ccc(c2cc1ccnc1cc2)cc3CNCCN4CCNC C4)CCCN; c1cc2c(cc[nH]2)cc1c3ccc(c(c3)CN CCN4CCNCC4)OCCCN |
N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE; RBT550 INHIBITOR |
| 36597 | P14 | 0 | C16 H31 N7 O2 | InChI=1S/C16H29N7O2/c1-24 -13-4-5-14(25-9-8-23-16(1 9)20)12(10-13)11-21-6-2-3 -7-22-15(17)18/h4-5,10,21 H,2-3,6-9,11H2,1H3,(H4,17 ,18,22)(H4,19,20,23)/p+2; ZCQAXURCNFAREC-UHFFFAOYSA-P |
COc1ccc(OCCNC(N)=[NH2+])c(CNCCCCNC(N)=[N H2+])c1; COc1ccc(c(c1)CNCCCCNC(=[NH2+])N )OCCNC(=[NH2+])N; O(c1ccc(OC)cc1CNCCCCNC (=[NH2+])\N)CCNC(=[NH2+])\N |
N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-4-METHOXYPHENOXY)ETHYL]GUANIDINE; RBT203 INHIBITOR |
| 36598 | P15 ZINC000005997860 |
0 | C13 H28 O7 | InChI=1S/C13H28O7/c1-15-4 -5-17-8-9-19-12-13-20-11- 10-18-7-6-16-3-2-14/h14H, 2-13H2,1H3; FHHGCKHKTAJLOM-UHFFFAOYSA-N |
O(CCOC)CCOCCOCCOCCOCCO; COCCOCCOCCOCCOCC OCCO |
2,5,8,11,14,17-HEXAOXANONADECAN-19-OL |
| 36599 | P16 CHEMBL327127 DB08339 ZINC000002047503 |
6 | C21 H16 Cl2 N4 O2 | InChI=1S/C21H16Cl2N4O2/c1 -27-19-13(9-15(20(27)29)1 8-16(22)6-3-7-17(18)23)10 -24-21(26-19)25-14-5-2-4- 12(8-14)11-28/h2-10,28H,1 1H2,1H3,(H,24,25,26); ZIQFYVPVJZEOFS-UHFFFAOYSA-N |
CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c (cccc4Cl)Cl; Clc4cccc(Cl)c4C3=Cc1c(nc(nc 1)Nc2cc(ccc2)CO)N(C3=O)C; CN1C(=O)C(=Cc2 cnc(Nc3cccc(CO)c3)nc12)c4c(Cl)cccc4Cl |
6-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; PD166326 |
| 36600 | P17 CHEMBL386051 DB02567 ZINC000002047743 |
3 | C21 H16 Cl2 N4 O S | InChI=1S/C21H16Cl2N4OS/c1 -27-19-12(9-15(20(27)28)1 8-16(22)7-4-8-17(18)23)11 -24-21(26-19)25-13-5-3-6- 14(10-13)29-2/h3-11H,1-2H 3,(H,24,25,26); VAARYSWULJUGST-UHFFFAOYSA-N |
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c (cccc4Cl)Cl; CSc1cccc(Nc2ncc3C=C(C(=O)N( C)c3n2)c4c(Cl)cccc4Cl)c1; Clc4cccc(Cl)c4 C3=Cc1c(nc(nc1)Nc2cccc(SC)c2)N(C3=O)C |
6-(2,6-DICHLORO-PHENYL)-8-METHYL-2-(3-METHYLSULFANYL-PHENYLAMINO)-8H-PYRIDO[2,3-D]PYRIMIDIN-7-ONE; PD173955 |