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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 35601 |  O7X CHEMBL5434266 |
8 | C25 H21 N O9 S2 | InChI=1S/C25H21NO9S2/c27- 17-2-1-3-19(11-17)36(32,3 3)18-7-4-15(5-8-18)14-26- 37(34,35)25-13-24(31)23(3 0)12-20(25)16-6-9-21(28)2 2(29)10-16/h1-13,26-31H,1 4H2; OWFVZEKCACEGQA-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O )c3cc(c(cc3c4ccc(c(c4)O)O)O)O)O; Oc1cccc (c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3cc(O )c(O)cc3c4ccc(O)c(O)c4)cc2; O=S(=O)(NCc1 ccc(cc1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O) cc1c1ccc(O)c(O)c1 |
(1P)-3',4,4',5-tetrahydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide |
| 35602 |  O7Y |
0 | C38 H43 N5 O9 | InChI=1S/C38H43N5O9/c1-23 -8-6-14-39-33(46)13-12-24 (2)35(25(3)21-51-38(49)42 -32-17-26-9-4-5-10-27(26) 20-40-32)52-37(48)31-11-7 -15-43(31)36(47)30-22-50- 34(41-30)19-29(45)18-28(4 4)16-23/h4-6,8-10,12-13,1 6-17,20,22,24-25,28,31,35 ,44H,7,11,14-15,18-19,21H 2,1-3H3,(H,39,46)(H,40,42 ,49)/b8-6+,13-12+,23-16+/ t24-,25-,28-,31-,35+/m1/s 1; TZVIVTYQVAVLJC-GLOMSVDJSA-N |
C2(=CC(O)CC(Cc1nc(co1)C(N5C(C(OC(C(C=CC( NCC=C2)=O)C)C(C)COC(Nc3ncc4c(c3)cccc4)=O )=O)CCC5)=O)=O)C; CC1C=CC(=O)NCC=CC(=CC( CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(=O)OC1C(C) COC(=O)Nc4cc5ccccc5cn4)O)C; C[CH](COC(=O )Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C( =O)c5coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C =C[CH]3C)n5; C[C@H](COC(=O)Nc1cc2ccccc2c n1)[C@H]3OC(=O)[C@H]4CCCN4C(=O)c5coc(CC( =O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H ]3C)n5; C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C @H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@H]3C(= O)O[C@@H]1[C@H](C)COC(=O)Nc4cc5ccccc5cn4 )O)/C |
(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
| 35603 |  O7Z CHEMBL1406302 |
2 | C17 H18 Cl2 O4 | InChI=1S/C17H18Cl2O4/c1-1 7(10-4-2-3-5-10)7-9-6-11( 23-8-12(20)21)14(18)15(19 )13(9)16(17)22/h6,10H,2-5 ,7-8H2,1H3,(H,20,21); RNOJGTHBMJBOSP-UHFFFAOYSA-N |
CC1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CC CC3; CC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCC(=O)O )C3CCCC3 |
2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid; indanyloxyacetic acid-94; IAA-94 |
| 35604 |  O80 ZINC000584905634 |
2 | C17 H17 F3 N2 | InChI=1S/C17H17F3N2/c1-21 (2)10-12-7-8-16-14(9-12)1 3-5-3-4-6-15(13)22(16)11- 17(18,19)20/h3-9H,10-11H2 ,1-2H3; FRGFVBVPVDCZLO-UHFFFAOYSA-N |
CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F; CN (C)Cc1ccc2n(CC(F)(F)F)c3ccccc3c2c1; c12n (c3c(c1cccc2)cc(cc3)CN(C)C)CC(F)(F)F |
N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine |
| 35605 |  O81 CHEMBL4293256 ZINC000095630287 |
4 | C6 H19 O27 P7 | InChI=1S/C6H19O27P7/c7-34 (8,9)27-1-2(28-35(10,11)1 2)4(30-37(16,17)18)6(32-4 0(25,26)33-39(22,23)24)5( 31-38(19,20)21)3(1)29-36( 13,14)15/h1-6H,(H,25,26)( H2,7,8,9)(H2,10,11,12)(H2 ,13,14,15)(H2,16,17,18)(H 2,19,20,21)(H2,22,23,24)/ t1-,2-,3+,4-,5-,6-/m1/s1; UPHPWXPNZIOZJL-UOTPTPDRSA-N |
O[P](O)(=O)O[C@@H]1[C@@H](O[P](O)(O)=O)[ C@@H](O[P](O)(O)=O)[C@@H](O[P](O)(=O)O[P ](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P]( O)(O)=O; O[P](O)(=O)O[CH]1[CH](O[P](O)(O )=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(=O)O[ P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O )(O)=O; C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O )O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O) (O)O)OP(=O)(O)O; [C@H]1([C@H](C([C@@H]([ C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O )OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O )O; OP(OP(OC1C(C(C(C(OP(O)(O)=O)C1OP(O)( O)=O)OP(O)(O)=O)OP(O)(O)=O)OP(O)(O)=O)(O )=O)(O)=O |
(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
| 35606 |  O82 ZINC000032779360 |
2 | C16 H17 F N2 | InChI=1S/C16H17FN2/c1-18- 11-12-6-7-16-14(10-12)13- 4-2-3-5-15(13)19(16)9-8-1 7/h2-7,10,18H,8-9,11H2,1H 3; QBECHPJOWHCRPY-UHFFFAOYSA-N |
CNCc1ccc2c(c1)c3ccccc3n2CCF; CNCc1ccc2n( CCF)c3ccccc3c2c1; c12n(c3c(c1cccc2)cc(cc 3)CNC)CCF |
1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| 35607 |  O83 ZINC000584905642 |
2 | C16 H16 F2 N2 | InChI=1S/C16H16F2N2/c1-19 -9-11-6-7-15-13(8-11)12-4 -2-3-5-14(12)20(15)10-16( 17)18/h2-8,16,19H,9-10H2, 1H3; RDPWHUKZFUEICI-UHFFFAOYSA-N |
CNCc1ccc2n(CC(F)F)c3ccccc3c2c1; c12n(c3c (c1cccc2)cc(cc3)CNC)CC(F)F; CNCc1ccc2c(c 1)c3ccccc3n2CC(F)F |
1-[9-(2,2-difluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine |
| 35608 |  O84 |
3 | C19 H22 N2 O11 P2 | InChI=1S/C19H22N2O11P2/c2 2-17-12(5-4-8-33(24,25)26 )10-21(18(23)20-17)16-9-1 4-15(31-16)11-30-19(32-14 ,34(27,28)29)13-6-2-1-3-7 -13/h1-7,10,14-16H,8-9,11 H2,(H,20,22,23)(H2,24,25, 26)(H2,27,28,29)/b5-4+/t1 4-,15-,16-,19-/m1/s1; TZXVMSWLUKAZDT-PDBOZARJSA-N |
c1ccc(cc1)[C@]2(OC[C@@H]3[C@H](O2)C[C@@H ](O3)N4C=C(C(=O)NC4=O)/C=C/CP(=O)(O)O)P( =O)(O)O; O[P](O)(=O)CC=CC1=CN([CH]2C[CH] 3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C( =O)NC1=O; c1ccc(cc1)C2(OCC3C(O2)CC(O3)N4 C=C(C(=O)NC4=O)C=CCP(=O)(O)O)P(=O)(O)O; O[P](O)(=O)C\C=C\C1=CN([C@H]2C[C@H]3O[C@ ](OC[C@H]3O2)(c4ccccc4)[P](O)(O)=O)C(=O) NC1=O |
[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid |
| 35609 |  O85 |
1 | C10 H12 F N O S | InChI=1S/C10H12FNOS/c1-12 (5-6-14)10(13)8-3-2-4-9(1 1)7-8/h2-4,7,14H,5-6H2,1H 3; LDKKTSNZLWHURK-UHFFFAOYSA-N |
CN(CCS)C(=O)c1cccc(c1)F; CN(CCS)C(=O)c1c ccc(F)c1 |
3-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide |
| 35610 |  O86 |
1 | C20 H18 Cl N3 O3 S | InChI=1S/C20H18ClN3O3S/c2 1-17-12-18(24-20(23-17)28 -13-19(25)26)22-15-7-4-8- 16(11-15)27-10-9-14-5-2-1 -3-6-14/h1-8,11-12H,9-10, 13H2,(H,25,26)(H,22,23,24 ); SWNYGRWXDONBNB-UHFFFAOYSA-N |
OC(=O)CSc1nc(Cl)cc(Nc2cccc(OCCc3ccccc3)c 2)n1; c1ccc(cc1)CCOc2cccc(c2)Nc3cc(nc(n3 )SCC(=O)O)Cl |
2-[4-chloranyl-6-[[3-(2-phenylethoxy)phenyl]amino]pyrimidin-2-yl]sulfanylethanoic acid |
| 35611 |  O87 CHEMBL1498723 ZINC000013598230 |
1 | C21 H18 F3 N3 O2 | InChI=1S/C21H18F3N3O2/c22 -21(23,24)14-4-3-5-15(12- 14)26-8-10-27(11-9-26)20( 29)17-13-19(28)25-18-7-2- 1-6-16(17)18/h1-7,12-13H, 8-11H2,(H,25,28); NKHDYQSOEVSMNT-UHFFFAOYSA-N |
O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1cc(c cc1)C(F)(F)F; FC(F)(F)c1cccc(c1)N2CCN(CC 2)C(=O)C3=CC(=O)Nc4ccccc34; c1ccc2c(c1)C (=CC(=O)N2)C(=O)N3CCN(CC3)c4cccc(c4)C(F) (F)F |
4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one |
| 35612 |  O88 CHEMBL5435675 |
8 | C19 H17 N O8 S2 | InChI=1S/C19H17NO8S2/c21- 16-7-5-14(9-18(16)23)29(2 5,26)13-3-1-12(2-4-13)11- 20-30(27,28)15-6-8-17(22) 19(24)10-15/h1-10,20-24H, 11H2; ZBQJJGXTFOWIRF-UHFFFAOYSA-N |
c1cc(ccc1CNS(=O)(=O)c2ccc(c(c2)O)O)S(=O) (=O)c3ccc(c(c3)O)O; Oc1ccc(cc1O)[S](=O)( =O)NCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 ; Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O) (=O)c1cc(O)c(O)cc1 |
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3,4-dihydroxybenzene-1-sulfonamide |
| 35613 |  O89 |
0 | C18 H20 N3 S | InChI=1S/C18H20N3S/c1-13- 5-10-16-17(11-13)22-18(21 (16)4)19-12-14-6-8-15(9-7 -14)20(2)3/h5-12H,1-4H3/q +1; YMJKNBJZXPYPNA-UHFFFAOYSA-N |
Cc1ccc2c(c1)sc([n+]2C)/N=C/c3ccc(cc3)N(C )C; Cc1ccc2c(c1)sc([n+]2C)N=Cc3ccc(cc3)N (C)C; CN(C)c1ccc(cc1)C=Nc2sc3cc(C)ccc3[n +]2C |
4-[(~{E})-(3,6-dimethyl-1,3-benzothiazol-2-yl)iminomethyl]-~{N},~{N}-dimethyl-aniline |
| 35614 |  O8A CHEMBL1234899 ZINC000058639005 |
1 | C17 H14 F3 N3 O2 S | InChI=1S/C17H14F3N3O2S/c1 -9-21-12-8-11(25-17(18,19 )20)4-5-13(12)23(9)15-7-6 -14(26-15)16(24)22-10-2-3 -10/h4-8,10H,2-3H2,1H3,(H ,22,24); ACFOZQUWTKSSQQ-UHFFFAOYSA-N |
Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F )(F)F; Cc1nc2cc(OC(F)(F)F)ccc2n1c3sc(cc3 )C(=O)NC4CC4; FC(F)(F)Oc4cc3nc(n(c1sc(cc 1)C(=O)NC2CC2)c3cc4)C |
N-cyclopropyl-5-[2-methyl-5-(trifluoromethoxy)-1H-benzimidazol-1-yl]thiophene-2-carboxamide |
| 35615 |  O8B CHEMBL1612418 ZINC000000843683 |
1 | C22 H20 N4 O2 | InChI=1S/C22H20N4O2/c1-15 -7-10-18(11-8-15)26-24-19 -12-9-17(13-20(19)25-26)2 3-22(27)14-28-21-6-4-3-5- 16(21)2/h3-13H,14H2,1-2H3 ,(H,23,27); LKAZLKLHUAIYCE-UHFFFAOYSA-N |
Cc1ccc(cc1)n2nc3ccc(cc3n2)NC(=O)COc4cccc c4C; Cc1ccc(cc1)n2nc3ccc(NC(=O)COc4ccccc 4C)cc3n2; O=C(Nc1ccc2nn(nc2c1)c3ccc(cc3) C)COc4ccccc4C |
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide |
| 35616 |  O8C CHEMBL482278 ZINC000000159092 |
2 | C8 H7 N O | InChI=1S/C8H7NO/c1-10-8-4 -2-7(6-9)3-5-8/h2-5H,1H3; XDJAAZYHCCRJOK-UHFFFAOYSA-N |
COc1ccc(cc1)C#N | 4-methoxybenzenecarbonitrile |
| 35617 |  O8D |
0 | C30 H39 N3 O7 | InChI=1S/C30H39N3O7/c1-5- 8-21-11-12-26(36)31-13-6- 9-20(4)15-22(34)16-23(35) 17-27-32-24(18-39-27)29(3 7)33-14-7-10-25(33)30(38) 40-28(21)19(2)3/h5-6,9,11 -12,15,18-19,21-22,25,28, 34H,1,7-8,10,13-14,16-17H 2,2-4H3,(H,31,36)/b9-6+,1 2-11+,20-15+/t21-,22-,25- ,28-/m1/s1; KIBQNEPECLKTQL-NJRJPMQWSA-N |
CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc(CC( =O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1CC=C) n3; CC1=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C (=O)OC(C(C=CC(=O)NCC=C1)CC=C)C(C)C)O; C/ C/1=C\[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C @@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC\C= C1)CC=C)C(C)C)O; CC(C)[C@H]1OC(=O)[C@H]2 CCCN2C(=O)c3coc(CC(=O)C[C@H](O)/C=C(C)/C =C/CNC(=O)/C=C/[C@H]1CC=C)n3; C2(CC(Cc1n c(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC( =C2)C)C/C=C)=O)CCC3)=O)=O)O |
(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
| 35618 |  O8F CHEMBL5434674 |
8 | C25 H21 N O10 S2 | InChI=1S/C25H21NO10S2/c27 -19-7-3-15(9-21(19)29)18- 11-23(31)24(32)12-25(18)3 8(35,36)26-13-14-1-4-16(5 -2-14)37(33,34)17-6-8-20( 28)22(30)10-17/h1-12,26-3 2H,13H2; NNIYBSBWFCKKLS-UHFFFAOYSA-N |
c1cc(ccc1CNS(=O)(=O)c2cc(c(cc2c3ccc(c(c3 )O)O)O)O)S(=O)(=O)c4ccc(c(c4)O)O; O=S(=O )(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c1 cc(O)c(O)cc1c1ccc(O)c(O)c1; Oc1ccc(cc1O) c2cc(O)c(O)cc2[S](=O)(=O)NCc3ccc(cc3)[S] (=O)(=O)c4ccc(O)c(O)c4 |
(1P)-N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide |
| 35619 |  O8G CHEMBL1234900 ZINC000058631872 |
1 | C13 H14 N6 O2 S | InChI=1S/C13H14N6O2S/c14- 18-15-8-11(20)19-5-3-9(4- 6-19)13-16-12(17-21-13)10 -2-1-7-22-10/h1-2,7,9H,3- 6,8H2; RJFYHVFZGWNOBV-UHFFFAOYSA-N |
[N-]=[N+]=NCC(=O)N1CCC(CC1)c2onc(n2)c3sc cc3; c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN =[N+]=[N-]; [N-]=[N+]=N\CC(=O)N3CCC(c1on c(n1)c2sccc2)CC3 |
1-(azidoacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine; 2-azido-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidin-1-yl]-ethanone |
| 35620 |  O8H CHEMBL1234901 ZINC000058638413 |
1 | C22 H22 I N7 O4 S2 | InChI=1S/C22H22IN7O4S2/c2 3-16-3-5-18(6-4-16)36(32, 33)24-12-17-13-30(28-26-1 7)14-20(31)29-9-7-15(8-10 -29)22-25-21(27-34-22)19- 2-1-11-35-19/h1-6,11,13,1 5,24H,7-10,12,14H2; WXICWMCKWJCJBV-UHFFFAOYSA-N |
c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(n n4)CNS(=O)(=O)c5ccc(cc5)I; Ic1ccc(cc1)S( =O)(=O)NCc2nnn(c2)CC(=O)N5CCC(c3onc(n3)c 4sccc4)CC5; Ic1ccc(cc1)[S](=O)(=O)NCc2cn (CC(=O)N3CCC(CC3)c4onc(n4)c5sccc5)nn2 |
4-iodo-N-[(1-{2-oxo-2-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl}-1H-1,2,3-triazol-4-yl)methyl]benzenesulfonamide |
| 35621 |  O8I |
12 | C7 H11 N O4 | InChI=1S/C7H11NO4/c1-3-5( 9)6(8-11)7(10)12-4-2/h11H ,3-4H2,1-2H3/b8-6-; FOGXVRUMMPWXRL-VURMDHGXSA-N |
CCOC(=O)\C(=N/O)C(=O)CC; CCOC(=O)C(=NO)C (=O)CC; CCC(=O)/C(=N/O)/C(=O)OCC; CCC(=O )C(=NO)C(=O)OCC |
ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate; ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate |
| 35622 |  O8J CHEMBL2105600 |
0 | C28 H37 N3 O7 | InChI=1S/C28H37N3O7/c1-17 (2)26-19(4)9-10-24(34)29- 11-5-7-18(3)13-20(32)14-2 1(33)15-25-30-22(16-37-25 )27(35)31-12-6-8-23(31)28 (36)38-26/h5,7,9-10,13,16 -17,19-20,23,26,32H,6,8,1 1-12,14-15H2,1-4H3,(H,29, 34)/b7-5+,10-9+,18-13+/t1 9-,20-,23-,26-/m1/s1; JOOMGSFOCRDAHL-WPZKFCHQSA-N |
CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C C(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C @H]1C)n3; C2(=CC(CC(Cc1nc(co1)C(N3C(C(=O )OC(C(C=CC(NCC=C2)=O)C)C(C)C)CCC3)=O)=O) O)C; CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(c o2)C(=O)N3CCCC3C(=O)OC1C(C)C)O)C; C[C@@H ]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2n c(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1C(C) C)O)/C; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c 3coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[C H]1C)n3 |
(3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone |
| 35623 |  O8K |
0 | C17 H28 O3 | InChI=1S/C17H28O3/c1-13-1 0-11-15(18)8-6-4-5-7-9-16 (20-3)17(19)14(2)12-13/h7 ,9,12,14,16-17,19H,4-6,8, 10-11H2,1-3H3/b9-7+,13-12 -/t14-,16+,17+/m1/s1; GNVGUUJMZICZND-YFFRELIDSA-N |
CO[CH]1C=CCCCCC(=O)CCC(=C[CH](C)[CH]1O)C ; CC1C=C(CCC(=O)CCCCC=CC(C1O)OC)C; CO[C@ H]1\C=C\CCCCC(=O)CCC(=C\[C@@H](C)[C@@H]1 O)/C; C[C@@H]1/C=C(\CCC(=O)CCCC/C=C/[C@@ H]([C@H]1O)OC)/C; O=C1CCCCC=CC(OC)C(O)C( C=C(CC1)C)C |
(4Z,6R,7S,8S,9E)-7-hydroxy-8-methoxy-4,6-dimethylcyclotetradeca-4,9-dien-1-one |
| 35624 |  O8L |
1 | C18 H18 Cl N3 O3 | InChI=1S/C18H18ClN3O3/c1- 10-3-4-20-9-15(10)21-18(2 4)11(2)12-5-13(19)7-14(6- 12)25-17-8-16(23)22-17/h3 -7,9,11,17H,8H2,1-2H3,(H, 21,24)(H,22,23)/t11-,17+/ m0/s1; NGODSAZXSLLARZ-APPDUMDISA-N |
Cc1ccncc1NC(=O)C(C)c1cc(Cl)cc(OC2CC(=O)N 2)c1; Cc1ccncc1NC(=O)[C@@H](C)c2cc(cc(c2 )Cl)O[C@@H]3CC(=O)N3; C[C@H](C(=O)Nc1cnc cc1C)c2cc(Cl)cc(O[C@@H]3CC(=O)N3)c2; Cc1 ccncc1NC(=O)C(C)c2cc(cc(c2)Cl)OC3CC(=O)N 3; C[CH](C(=O)Nc1cnccc1C)c2cc(Cl)cc(O[CH ]3CC(=O)N3)c2 |
(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 35625 |  O8M CHEMBL460913 ZINC000040393278 |
2 | C14 H21 N7 O4 | InChI=1S/C14H21N7O4/c1-6- 19-9-12(16)17-5-18-13(9)2 1(6)14-11(24)10(23)7(25-1 4)3-20(2)4-8(15)22/h5,7,1 0-11,14,23-24H,3-4H2,1-2H 3,(H2,15,22)(H2,16,17,18) /t7-,10-,11-,14-/m1/s1; IRWBMXVMEDHEJW-FRJWGUMJSA-N |
Cc1nc2c(ncnc2n1C3C(C(C(O3)CN(C)CC(=O)N)O )O)N; Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H] ([C@H](O3)C[N@@](C)CC(=O)N)O)O)N; CN(C[C H]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)ncnc 23)CC(N)=O; O=C(N)CN(C)CC3OC(n2c(nc1c(nc nc12)N)C)C(O)C3O; CN(C[C@H]1O[C@H]([C@H] (O)[C@@H]1O)n2c(C)nc3c(N)ncnc23)CC(N)=O |
2-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]acetamide; 5'-[(carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine |
| 35626 |  O8N CHEMBL1951714 DB11220 ZINC000008221075 |
1 | C28 H58 O | InChI=1S/C28H58O/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19-20-21-22- 23-24-25-26-27-28-29/h29H ,2-28H2,1H3; CNNRPFQICPFDPO-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO | octacosan-1-ol |
| 35627 |  O8O CHEMBL5440938 |
8 | C25 H19 N O10 S2 | InChI=1S/C25H19NO10S2/c27 -19-6-5-15(7-20(19)28)37( 33,34)14-3-1-13(2-4-14)12 -26-18-10-23(31)21(29)8-1 6(18)17-9-22(30)24(32)11- 25(17)38(26,35)36/h1-11,2 7-32H,12H2; BAXWNPHATMCEIN-UHFFFAOYSA-N |
c1cc(ccc1CN2c3cc(c(cc3-c4cc(c(cc4S2(=O)= O)O)O)O)O)S(=O)(=O)c5ccc(c(c5)O)O; Oc1cc c(cc1O)[S](=O)(=O)c2ccc(CN3c4cc(O)c(O)cc 4c5cc(O)c(O)cc5[S]3(=O)=O)cc2; Oc1cc(ccc 1O)S(=O)(=O)c1ccc(cc1)CN1c2cc(O)c(O)cc2c 2cc(O)c(O)cc2S1(=O)=O |
(10aP)-6-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-2,3,8,9-tetrahydroxy-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione |
| 35628 |  O8P |
0 | C34 H40 Br N5 O9 | InChI=1S/C34H40BrN5O9/c1- 20-6-4-11-37-29(43)9-8-21 (2)31(22(3)18-48-34(46)38 -23-10-12-36-28(35)15-23) 49-33(45)27-7-5-13-40(27) 32(44)26-19-47-30(39-26)1 7-25(42)16-24(41)14-20/h4 ,6,8-10,12,14-15,19,21-22 ,24,27,31,41H,5,7,11,13,1 6-18H2,1-3H3,(H,37,43)(H, 36,38,46)/b6-4+,9-8+,20-1 4+/t21-,22-,24-,27-,31+/m 1/s1; DVPGDVCEDLKOOR-IUBPLUFBSA-N |
C[C@H](COC(=O)Nc1ccnc(Br)c1)[C@H]2OC(=O) [C@H]3CCCN3C(=O)c4coc(CC(=O)C[C@H](O)/C= C(C)/C=C/CNC(=O)/C=C/[C@H]2C)n4; C[C@@H] 1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@H] (C)COC(=O)Nc4ccnc(c4)Br)O)/C; C[CH](COC( =O)Nc1ccnc(Br)c1)[CH]2OC(=O)[CH]3CCCN3C( =O)c4coc(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C =C[CH]2C)n4; C3(CC(Cc1nc(co1)C(N4C(C(=O) OC(C(COC(Nc2cc(Br)ncc2)=O)C)C(C=CC(NCC=C C(=C3)C)=O)C)CCC4)=O)=O)O; CC1C=CC(=O)NC C=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N3CCCC3C(= O)OC1C(C)COC(=O)Nc4ccnc(c4)Br)O)C |
(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl (2-bromopyridin-4-yl)carbamate |
| 35629 |  O8Q CHEMBL4764177 |
1 | C36 H41 Cl N6 O3 | InChI=1S/C36H41ClN6O3/c37 -29-18-13-26(14-19-29)21- 22-39-36(46)32(20-15-25-7 -3-1-4-8-25)42-34(44)28-1 6-11-27(12-17-28)23-40-35 (45)31-24-41-43(33(31)38) 30-9-5-2-6-10-30/h2,5-6,9 -14,16-19,24-25,32H,1,3-4 ,7-8,15,20-23,38H2,(H,39, 46)(H,40,45)(H,42,44)/t32 -/m0/s1; ODDDHFFTESWGNQ-YTTGMZPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)NCCc5ccc(cc5)Cl)N; Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC 3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5; N c1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CC C3CCCCC3)C(=O)NCCc4ccc(Cl)cc4)c5ccccc5; c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)N[C@@H](CCC4CCCCC4)C(=O)NCCc5ccc(cc5)C l)N |
5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 35630 |  O8R |
16 | C7 H11 N O5 | InChI=1S/C7H11NO5/c1-5(9) 6(8-11)7(10)13-4-3-12-2/h 11H,3-4H2,1-2H3/b8-6-; QNWLIKDDTJMEGE-VURMDHGXSA-N |
COCCOC(=O)\C(=N/O)C(C)=O; COCCOC(=O)C(=N O)C(C)=O; CC(=O)C(=NO)C(=O)OCCOC; CC(=O) /C(=N/O)/C(=O)OCCOC |
2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate; 2-methoxyethyl (Z)-2-(hydroxyimino)-3-oxobutanoate |
| 35631 |  O8S |
0 | C36 H41 F3 N4 O9 | InChI=1S/C36H41F3N4O9/c1- 21-6-4-14-40-30(46)13-8-2 2(2)32(23(3)19-51-35(49)4 1-25-11-9-24(10-12-25)36( 37,38)39)52-34(48)29-7-5- 15-43(29)33(47)28-20-50-3 1(42-28)18-27(45)17-26(44 )16-21/h4,6,8-13,16,20,22 -23,26,29,32,44H,5,7,14-1 5,17-19H2,1-3H3,(H,40,46) (H,41,49)/b6-4+,13-8+,21- 16+/t22-,23-,26-,29-,32+/ m1/s1; QSYJCJBWWVFSHG-FJYLNHJQSA-N |
CC1C=CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C( =O)N3CCCC3C(=O)OC1C(C)COC(=O)Nc4ccc(cc4) C(F)(F)F)O)C; C[C@@H]1/C=C/C(=O)NC/C=C/C (=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC[C@@ H]3C(=O)O[C@@H]1[C@H](C)COC(=O)Nc4ccc(cc 4)C(F)(F)F)O)/C; C[CH](COC(=O)Nc1ccc(cc1 )C(F)(F)F)[CH]2OC(=O)[CH]3CCCN3C(=O)c4co c(CC(=O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]2 C)n4; C[C@H](COC(=O)Nc1ccc(cc1)C(F)(F)F) [C@H]2OC(=O)[C@H]3CCCN3C(=O)c4coc(CC(=O) C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]2C )n4; C2(=CC(CC(Cc1nc(co1)C(N4C(C(=O)OC(C (C=CC(NCC=C2)=O)C)C(C)COC(=O)Nc3ccc(C(F) (F)F)cc3)CCC4)=O)=O)O)C |
(2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl [4-(trifluoromethyl)phenyl]carbamate |
| 35632 |  O8T CHEMBL4749084 |
1 | C34 H44 N6 O3 | InChI=1S/C34H44N6O3/c35-3 1-29(23-37-40(31)28-14-8- 3-9-15-28)33(42)36-22-25- 16-19-26(20-17-25)32(41)3 9-30(21-18-24-10-4-1-5-11 -24)34(43)38-27-12-6-2-7- 13-27/h3,8-9,14-17,19-20, 23-24,27,30H,1-2,4-7,10-1 3,18,21-22,35H2,(H,36,42) (H,38,43)(H,39,41)/t30-/m 0/s1; PKDCKOQKRFFVGE-PMERELPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)NC5CCCCC5)N; Nc1n(n cc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CCC CC3)C(=O)NC4CCCCC4)c5ccccc5; c1ccc(cc1)n 2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](C CC4CCCCC4)C(=O)NC5CCCCC5)N; Nc1n(ncc1C(= O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O )NC4CCCCC4)c5ccccc5 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 35633 |  O8U CHEMBL295652 ZINC000004556034 |
2 | C7 H9 N O | InChI=1S/C7H9NO/c1-9-7-4- 2-6(8)3-5-7/h2-5H,8H2,1H3; BHAAPTBBJKJZER-UHFFFAOYSA-N |
COc1ccc(cc1)N; COc1ccc(N)cc1 | 4-methoxyaniline |
| 35634 |  O8V |
0 | C38 H43 N5 O9 | InChI=1S/C38H43N5O9/c1-23 -8-6-14-39-33(46)13-12-24 (2)35(25(3)21-51-38(49)42 -32-17-26-9-4-5-10-27(26) 20-40-32)52-37(48)31-11-7 -15-43(31)36(47)30-22-50- 34(41-30)19-29(45)18-28(4 4)16-23/h4-6,8-10,12-13,1 6-17,20,22,24-25,28,31,35 ,44H,7,11,14-15,18-19,21H 2,1-3H3,(H,39,46)(H,40,42 ,49)/b8-6+,13-12+,23-16+/ t24-,25+,28-,31-,35+/m1/s 1; TZVIVTYQVAVLJC-VQXLESIQSA-N |
C[C@@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC( =O)[C@H]4CCCN4C(=O)c5coc(CC(=O)C[C@H](O) /C=C(C)/C=C/CNC(=O)/C=C/[C@H]3C)n5; CC1C =CC(=O)NCC=CC(=CC(CC(=O)Cc2nc(co2)C(=O)N 3CCCC3C(=O)OC1C(C)COC(=O)Nc4cc5ccccc5cn4 )O)C; C[CH](COC(=O)Nc1cc2ccccc2cn1)[CH]3 OC(=O)[CH]4CCCN4C(=O)c5coc(CC(=O)C[CH](O )C=C(C)C=CCNC(=O)C=C[CH]3C)n5; C[C@@H]1/ C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(c o2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]1[C@@H]( C)COC(=O)Nc4cc5ccccc5cn4)O)/C; C4(O)C=C( C=CCNC(C=CC(C)C(C(C)COC(=O)Nc1ncc2c(c1)c ccc2)OC(C3CCCN3C(c5coc(CC(C4)=O)n5)=O)=O )=O)C |
(2S)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate |
| 35635 |  O8W |
1 | C32 H42 N6 O3 | InChI=1S/C32H42N6O3/c1-3- 22(2)36-32(41)28(19-16-23 -10-6-4-7-11-23)37-30(39) 25-17-14-24(15-18-25)20-3 4-31(40)27-21-35-38(29(27 )33)26-12-8-5-9-13-26/h5, 8-9,12-15,17-18,21-23,28H ,3-4,6-7,10-11,16,19-20,3 3H2,1-2H3,(H,34,40)(H,36, 41)(H,37,39)/t22-,28-/m0/ s1; XHAOZPSJXRBUJD-DWACAAAGSA-N |
CC[C@H](C)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c 2ccc(CNC(=O)c3cnn(c3N)c4ccccc4)cc2; CC[C H](C)NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(C NC(=O)c3cnn(c3N)c4ccccc4)cc2; CCC(C)NC(= O)C(CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3 cnn(c3N)c4ccccc4; CC[C@H](C)NC(=O)[C@H]( CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn( c3N)c4ccccc4 |
5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 35636 |  O8X CHEMBL5424659 |
8 | C20 H19 N O7 S2 | InChI=1S/C20H19NO7S2/c22- 15-2-1-3-17(12-15)29(25,2 6)16-6-4-14(5-7-16)10-11- 21-30(27,28)18-8-9-19(23) 20(24)13-18/h1-9,12-13,21 -24H,10-11H2; WVXXJFOMKHHPNL-UHFFFAOYSA-N |
Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(= O)c3ccc(O)c(O)c3)cc2; c1cc(cc(c1)S(=O)(= O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O ; Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O )(=O)c1cc(O)ccc1 |
3,4-dihydroxy-N-{2-[4-(3-hydroxybenzene-1-sulfonyl)phenyl]ethyl}benzene-1-sulfonamide |
| 35637 |  O8Y CHEMBL280331 ZINC000001641021 |
4 | C6 H12 O | InChI=1S/C6H12O/c1-2-3-4- 5-6-7/h6H,2-5H2,1H3; JARKCYVAAOWBJS-UHFFFAOYSA-N |
CCCCCC=O; C(CC=O)CCC | hexanal |
| 35638 |  O8Z CHEMBL4784037 |
1 | C33 H44 N6 O3 | InChI=1S/C33H44N6O3/c1-23 (2)19-20-35-33(42)29(18-1 5-24-9-5-3-6-10-24)38-31( 40)26-16-13-25(14-17-26)2 1-36-32(41)28-22-37-39(30 (28)34)27-11-7-4-8-12-27/ h4,7-8,11-14,16-17,22-24, 29H,3,5-6,9-10,15,18-21,3 4H2,1-2H3,(H,35,42)(H,36, 41)(H,38,40)/t29-/m0/s1; LOQKXJXODLGEKL-LJAQVGFWSA-N |
CC(C)CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2cc c(CNC(=O)c3cnn(c3N)c4ccccc4)cc2; CC(C)CC NC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(=O )c3cnn(c3N)c4ccccc4)cc2; CC(C)CCNC(=O)[C @H](CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3 cnn(c3N)c4ccccc4; CC(C)CCNC(=O)C(CCC1CCC CC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4c cccc4 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 35639 |  O90 CHEMBL23296 ZINC000003834054 |
2 | C22 H21 Cl F3 N O4 S | InChI=1S/C22H21ClF3NO4S/c 1-2-4-14-17(7-6-15-20(14) 31-27-21(15)22(24,25)26)3 0-9-3-10-32-18-8-5-13(11- 16(18)23)12-19(28)29/h5-8 ,11H,2-4,9-10,12H2,1H3,(H ,28,29); TZBRFAASYWFUGK-UHFFFAOYSA-N |
O=C(O)Cc3ccc(SCCCOc2ccc1c(onc1C(F)(F)F)c 2CCC)c(Cl)c3; CCCc1c(OCCCSc2ccc(CC(O)=O) cc2Cl)ccc3c1onc3C(F)(F)F; CCCc1c(ccc2c1o nc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O |
{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid |
| 35640 |  O91 CHEMBL1272023 |
2 | C20 H20 N2 O4 | InChI=1S/C20H20N2O4/c1-12 -5-7-13(8-6-12)20-21-11-1 5(22-20)18(23)14-9-16(24- 2)19(26-4)17(10-14)25-3/h 5-11H,1-4H3,(H,21,22); NQHVDNDKHQBFKP-UHFFFAOYSA-N |
COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3ccc (C)cc3; Cc1ccc(cc1)c2[nH]cc(n2)C(=O)c3cc (c(c(c3)OC)OC)OC; c1c(OC)c(c(cc1C(=O)c2c nc(n2)c3ccc(cc3)C)OC)OC |
[2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone |
| 35641 |  O92 CHEMBL2152252 ZINC000095575373 |
1 | C18 H14 Cl F2 N5 O3 S | InChI=1S/C18H14ClF2N5O3S/ c1-23-18(27)16-17(22)24-8 -13(25-16)9-5-6-10(19)14( 7-9)30(28,29)26-12-4-2-3- 11(20)15(12)21/h2-8,26H,1 H3,(H2,22,24)(H,23,27); GEYLKEHPEKRUTC-UHFFFAOYSA-N |
CNC(=O)c1nc(cnc1N)c2ccc(Cl)c(c2)[S](=O)( =O)Nc3cccc(F)c3F; CNC(=O)c1c(ncc(n1)c2cc c(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N; O=C( c1nc(cnc1N)c2ccc(Cl)c(c2)S(=O)(=O)Nc3ccc c(F)c3F)NC |
3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE |
| 35642 |  O93 |
6 | C12 H27 B N2 O5 | InChI=1S/C12H27BN2O5/c1-1 5(2)8-10-4-3-9(5-6-13(18, 19)20)7-12(10,14)11(16)17 /h9-10,18-19H,3-8,14,20H2 ,1-2H3,(H,16,17)/q+1/t9-, 10-,12+/m0/s1; MIFIXLBUGCLQNB-JBLDHEPKSA-N |
B(CCC1CCC(C(C1)(C(=O)O)N)CN(C)C)([OH2+]) (O)O; CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+ ])C[C]1(N)C(O)=O; B(CC[C@@H]1CC[C@H]([C@ ](C1)(C(=O)O)N)CN(C)C)([OH2+])(O)O; CN(C )C[C@@H]1CC[C@@H](CC[B](O)(O)[OH2+])C[C@ ]1(N)C(O)=O |
2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron |
| 35643 |  O94 |
2 | C19 H19 F N4 O2 | InChI=1S/C19H19FN4O2/c20- 14-5-3-12(4-6-14)10-17(26 )24-9-1-2-13(11-24)18-15- 7-8-16(25)21-19(15)23-22- 18/h3-8,13H,1-2,9-11H2,(H 2,21,22,23,25)/t13-/m0/s1; JKWFFWGCDOMXTH-ZDUSSCGKSA-N |
Oc1ccc2c([nH]nc2[CH]3CCCN(C3)C(=O)Cc4ccc (F)cc4)n1; c1cc(ccc1CC(=O)N2CCC[C@@H](C2 )c3c4ccc(nc4[nH]n3)O)F; c1cc(ccc1CC(=O)N 2CCCC(C2)c3c4ccc(nc4[nH]n3)O)F; Oc1ccc2c ([nH]nc2[C@H]3CCCN(C3)C(=O)Cc4ccc(F)cc4) n1 |
2-(4-fluorophenyl)-1-[(3~{S})-3-(6-oxidanyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone |
| 35644 |  O95 ZINC000263620879 |
2 | C17 H17 F3 N4 O3 S | InChI=1S/C17H17F3N4O3S/c1 -8-9(17(18,19)20)6-10-13( 12(8)23-26)28-15(22-10)14 -21-11(7-27-14)16(25)24-4 -2-3-5-24/h6,11,23,26H,2- 5,7H2,1H3/t11-/m0/s1; PDLYFURAMRBJFN-NSHDSACASA-N |
Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O )N4CCCC4)C(F)(F)F; Cc1c(cc2c(c1NO)sc(n2) C3=NC(CO3)C(=O)N4CCCC4)C(F)(F)F; Cc1c(NO )c2sc(nc2cc1C(F)(F)F)C3=N[CH](CO3)C(=O)N 4CCCC4; Cc1c(NO)c2sc(nc2cc1C(F)(F)F)C3=N [C@@H](CO3)C(=O)N4CCCC4; FC(F)(F)c1cc2nc (sc2c(c1C)NO)C4=NC(C(=O)N3CCCC3)CO4 |
{(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone |
| 35645 |  O96 ZINC000058638820 |
1 | C19 H17 Cl F3 N3 O4 | InChI=1S/C19H17ClF3N3O4/c 1-2-12(16(27)17(24)28)26- 18(29)11-6-7-13(14(15(11) 20)19(21,22)23)30-9-10-5- 3-4-8-25-10/h3-8,12H,2,9H 2,1H3,(H2,24,28)(H,26,29) /t12-/m0/s1; VMSZYKRQEOLBRN-LBPRGKRZSA-N |
O=C(N)C(=O)C(NC(=O)c2ccc(OCc1ncccc1)c(c2 Cl)C(F)(F)F)CC; CC[C@@H](C(=O)C(=O)N)NC( =O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2; CCC (C(=O)C(=O)N)NC(=O)c1ccc(c(c1Cl)C(F)(F)F )OCc2ccccn2; CC[CH](NC(=O)c1ccc(OCc2cccc n2)c(c1Cl)C(F)(F)F)C(=O)C(N)=O; CC[C@H]( NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C (=O)C(N)=O |
N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide |
| 35646 |  O97 CHEMBL5203368 |
1 | C17 H14 N2 O2 S2 | InChI=1S/C17H14N2O2S2/c18 -16(20)15-8-11-10(2-1-3-1 2(11)23-15)13-6-7-14(22-1 3)17(21)19-9-4-5-9/h1-3,6 -9H,4-5H2,(H2,18,20)(H,19 ,21); QYQDTYWXMRWCEU-UHFFFAOYSA-N |
NC(=O)c1sc2cccc(c3sc(cc3)C(=O)NC4CC4)c2c 1; c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O) NC4CC4; c1(sc(cc1)C(NC2CC2)=O)c4cccc3c4c c(C(N)=O)s3 |
4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide |
| 35647 |  O98 CHEMBL4789011 |
1 | C33 H44 N6 O3 | InChI=1S/C33H44N6O3/c1-3- 26(4-2)37-33(42)29(20-17- 23-11-7-5-8-12-23)38-31(4 0)25-18-15-24(16-19-25)21 -35-32(41)28-22-36-39(30( 28)34)27-13-9-6-10-14-27/ h6,9-10,13-16,18-19,22-23 ,26,29H,3-5,7-8,11-12,17, 20-21,34H2,1-2H3,(H,35,41 )(H,37,42)(H,38,40)/t29-/ m0/s1; JZQSHIUOCIDLSA-LJAQVGFWSA-N |
CCC(CC)NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2cc c(cc2)CNC(=O)c3cnn(c3N)c4ccccc4; CCC(CC) NC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(CNC(= O)c3cnn(c3N)c4ccccc4)cc2; CCC(CC)NC(=O)C (CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn (c3N)c4ccccc4; CCC(CC)NC(=O)[CH](CCC1CCC CC1)NC(=O)c2ccc(CNC(=O)c3cnn(c3N)c4ccccc 4)cc2 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
| 35648 |  O99 CHEMBL5425855 |
8 | C19 H17 N O7 S2 | InChI=1S/C19H17NO7S2/c21- 14-2-1-3-16(10-14)28(24,2 5)15-6-4-13(5-7-15)12-20- 29(26,27)17-8-9-18(22)19( 23)11-17/h1-11,20-23H,12H 2; VUAKJQMZHVAFHX-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O )c3ccc(c(c3)O)O)O; Oc1cccc(c1)[S](=O)(=O )c2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2; Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(= O)c1cc(O)ccc1 |
3,4-dihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}benzene-1-sulfonamide |
| 35649 |  O9A CHEMBL4517118 |
1 | C20 H19 F N2 O4 S | InChI=1S/C20H19FN2O4S/c1- 3-27-16-10-13(2)19(21)18( 12-16)20(24)22-23-28(25,2 6)17-9-8-14-6-4-5-7-15(14 )11-17/h4-12,23H,3H2,1-2H 3,(H,22,24); ZHPGBCFNKHBCKG-UHFFFAOYSA-N |
CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccc cc3c2)F)C; CCOc1cc(C)c(F)c(c1)C(=O)NN[S] (=O)(=O)c2ccc3ccccc3c2; c3(C(=O)NNS(c1cc 2c(cc1)cccc2)(=O)=O)cc(OCC)cc(c3F)C |
5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide |
| 35650 |  O9B ZINC000001621096 |
4 | C7 H13 N O2 | InChI=1S/C7H13NO2/c1-8-5- 3-2-4-6(8)7(9)10/h6H,2-5H 2,1H3,(H,9,10)/t6-/m1/s1; BPSLZWSRHTULGU-ZCFIWIBFSA-N |
CN1CCCCC1C(=O)O; CN1CCCC[C@@H]1C(O)=O; C N1CCCC[C@@H]1C(=O)O; CN1CCCC[CH]1C(O)=O |
(2~{R})-1-methylpiperidine-2-carboxylic acid |
| 35651 |  O9C |
2 | C18 H15 N5 O2 | InChI=1S/C18H15N5O2/c1-2- 12(10-19-5-1)18-21-14-4-3 -13-16(17(14)25-18)22-15( 11-20-13)23-6-8-24-9-7-23 /h1-5,10-11H,6-9H2; LXMGHBPXSOJCIZ-UHFFFAOYSA-N |
C1CN(CCO1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5; c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCOC C5 |
8-morpholin-4-yl-2-pyridin-3-yl-[1,3]oxazolo[5,4-f]quinoxaline |
| 35652 |  O9D CHEMBL4443232 |
1 | C16 H17 F N2 O4 S | InChI=1S/C16H17FN2O4S/c1- 3-23-12-9-11(2)15(17)14(1 0-12)16(20)18-19-24(21,22 )13-7-5-4-6-8-13/h4-10,19 H,3H2,1-2H3,(H,18,20); JKKRGQGRKITOSW-UHFFFAOYSA-N |
c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2 F)C; CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(= O)c2ccccc2; CCOc1cc(c(c(c1)C(=O)NNS(=O)( =O)c2ccccc2)F)C |
5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide |
| 35653 |  O9E |
0 | C30 H38 N8 O2 S2 | InChI=1S/C30H38N8O2S2/c1- 7-12-38-18-22(32-34-38)16 -36(6)30(40)28-14-26(20(4 )42-28)24-11-9-10-23(24)2 5-13-27(41-19(25)3)29(39) 35(5)15-21-17-37(8-2)33-3 1-21/h13-14,17-18H,7-12,1 5-16H2,1-6H3; GGDTYYUIMGUGDO-UHFFFAOYSA-N |
CCCn1cc(CN(C)C(=O)c2sc(C)c(c2)C3=C(CCC3) c4cc(sc4C)C(=O)N(C)Cc5cn(CC)nn5)nn1; CCC n1cc(nn1)CN(C)C(=O)c2cc(c(s2)C)C3=C(CCC3 )c4cc(sc4C)C(=O)N(C)Cc5cn(nn5)CC |
~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide |
| 35654 |  O9F CHEMBL401912 ZINC000000157405 |
2 | C9 H10 O2 | InChI=1S/C9H10O2/c1-7(10) 8-3-5-9(11-2)6-4-8/h3-6H, 1-2H3; NTPLXRHDUXRPNE-UHFFFAOYSA-N |
CC(=O)c1ccc(cc1)OC; COc1ccc(cc1)C(C)=O | 1-(4-methoxyphenyl)ethanone |
| 35655 |  O9G CHEMBL4581401 |
1 | C17 H15 F N4 O3 S | InChI=1S/C17H15FN4O3S/c1- 12-10-13(22-9-5-8-19-22)1 1-15(16(12)18)17(23)20-21 -26(24,25)14-6-3-2-4-7-14 /h2-11,21H,1H3,(H,20,23); HKELVRVKFVSBKX-UHFFFAOYSA-N |
Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3 cccn3; c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2cc ccc2)(=O)=O)ncc3; Cc1cc(cc(C(=O)NN[S](=O )(=O)c2ccccc2)c1F)n3cccn3 |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide |
| 35656 |  O9H |
2 | C22 H33 N2 O4 S | InChI=1S/C22H32N2O4S/c1-1 5(2)18(23-4)12-20(28-16(3 )26)22-24-19(13-25)21(29- 22)10-11-27-14-17-8-6-5-7 -9-17/h5-9,13,15,18,20,22 -24H,10-12,14H2,1-4H3/p+1 /t18-,20-,22+/m1/s1; PGOBLOKJRKQHRJ-UZKOGDIHSA-O |
C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCO Cc2ccccc2)S1)C=O)C(C)C; C[NH2+][C@H](C[C @@H](OC(C)=O)[C@H]1NC(=C(CCOCc2ccccc2)S1 )C=O)C(C)C; CC(C)C(CC(C1NC(=C(S1)CCOCc2c cccc2)C=O)OC(=O)C)[NH2+]C; CC(C)[C@@H](C [C@H](C1NC(=C(S1)CCOCc2ccccc2)C=O)OC(=O) C)[NH2+]C |
[(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium |
| 35657 |  O9I CHEMBL5408421 |
12 | C25 H21 N O9 S2 | InChI=1S/C25H21NO9S2/c27- 17-5-3-16(4-6-17)20-12-23 (30)24(31)13-25(20)37(34, 35)26-14-15-1-7-18(8-2-15 )36(32,33)19-9-10-21(28)2 2(29)11-19/h1-13,26-31H,1 4H2; HSSFPFXEQQQRPL-UHFFFAOYSA-N |
Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3 ccc(cc3)[S](=O)(=O)c4ccc(O)c(O)c4; O=S(= O)(NCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1)c 1cc(O)c(O)cc1c1ccc(O)cc1; c1cc(ccc1CNS(= O)(=O)c2cc(c(cc2c3ccc(cc3)O)O)O)S(=O)(=O )c4ccc(c(c4)O)O |
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-4,4',5-trihydroxy[1,1'-biphenyl]-2-sulfonamide |
| 35658 |  O9J CHEMBL4462062 |
1 | C19 H16 F N3 O3 S | InChI=1S/C19H16FN3O3S/c1- 13-11-14(17-9-5-6-10-21-1 7)12-16(18(13)20)19(24)22 -23-27(25,26)15-7-3-2-4-8 -15/h2-12,23H,1H3,(H,22,2 4); MWANLGMUCLJUNG-UHFFFAOYSA-N |
Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F) c3ccccn3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c 2ccccc2)c3ccccn3; c3ccnc(c2cc(C(=O)NNS(c 1ccccc1)(=O)=O)c(c(C)c2)F)c3 |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide |
| 35659 |  O9K |
2 | C13 H20 N2 O3 S | InChI=1S/C13H20N2O3S/c1-8 (2)11(14-4)5-12(18-9(3)17 )13-15-10(6-16)7-19-13/h6 -8,11-12,14H,5H2,1-4H3/t1 1-,12-/m1/s1; QIMGLCHKHZYHQD-VXGBXAGGSA-N |
CN[C@H](C[C@@H](OC(C)=O)c1scc(C=O)n1)C(C )C; CC(C)[C@@H](C[C@H](c1nc(cs1)C=O)OC(= O)C)NC; CN[CH](C[CH](OC(C)=O)c1scc(C=O)n 1)C(C)C; CC(C)C(CC(c1nc(cs1)C=O)OC(=O)C) NC |
[(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
| 35660 |  O9L |
2 | C18 H15 N5 O S | InChI=1S/C18H15N5OS/c1-2- 12(10-19-5-1)18-21-14-4-3 -13-16(17(14)24-18)22-15( 11-20-13)23-6-8-25-9-7-23 /h1-5,10-11H,6-9H2; ZJBIEWDRPAVJAY-UHFFFAOYSA-N |
C1CN(CCS1)c2cnc3ccc4nc(oc4c3n2)c5cccnc5; c1cc(cnc1)c2nc3ccc4c(c3o2)nc(cn4)N5CCSC C5 |
2-pyridin-3-yl-8-thiomorpholin-4-yl-[1,3]oxazolo[5,4-f]quinoxaline |
| 35661 |  O9M CHEMBL4449359 |
1 | C18 H15 F N4 O3 S | InChI=1S/C18H15FN4O3S/c1- 12-10-13(17-20-8-5-9-21-1 7)11-15(16(12)19)18(24)22 -23-27(25,26)14-6-3-2-4-7 -14/h2-11,23H,1H3,(H,22,2 4); ZEILGPBOAJFIRQ-UHFFFAOYSA-N |
Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F) c3ncccn3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c 2ccccc2)c3ncccn3; c3ccnc(c2cc(C(=O)NNS(c 1ccccc1)(=O)=O)c(c(C)c2)F)n3 |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide |
| 35662 |  O9N |
1 | C12 H18 N2 O2 | InChI=1S/C12H18N2O2/c1-16 -12(15)11(14)8-10(13)7-9- 5-3-2-4-6-9/h2-6,10-11H,7 -8,13-14H2,1H3/t10-,11-/m 0/s1; GXDWYXRQHBMHOS-QWRGUYRKSA-N |
COC(=O)[C@H](C[C@H](Cc1ccccc1)N)N; COC(= O)C(CC(Cc1ccccc1)N)N; COC(=O)[CH](N)C[CH ](N)Cc1ccccc1; COC(=O)[C@@H](N)C[C@@H](N )Cc1ccccc1 |
methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
| 35663 |  O9O |
1 | C23 H18 Cl N3 O3 | InChI=1S/C23H18ClN3O3/c1- 29-22-7-4-8-23(27-22)30-1 9-11-17(24)10-18(12-19)26 -21(28)9-16-14-25-13-15-5 -2-3-6-20(15)16/h2-8,10-1 4H,9H2,1H3,(H,26,28); ZJXCDXGMXIYGBJ-UHFFFAOYSA-N |
COc1cccc(n1)Oc2cc(cc(c2)Cl)NC(=O)Cc3cncc 4c3cccc4; COc1cccc(Oc2cc(Cl)cc(NC(=O)Cc3 cncc4ccccc34)c2)n1; COc1cccc(Oc2cc(NC(=O )Cc3cncc4ccccc43)cc(Cl)c2)n1 |
N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide |
| 35664 |  O9P CHEMBL4464572 |
1 | C17 H17 F N2 O4 S | InChI=1S/C17H17FN2O4S/c1- 3-9-24-13-10-12(2)16(18)1 5(11-13)17(21)19-20-25(22 ,23)14-7-5-4-6-8-14/h3-8, 10-11,20H,1,9H2,2H3,(H,19 ,21); FEYQZXJYMGGAIM-UHFFFAOYSA-N |
Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC C=C; Cc1cc(OCC=C)cc(c1F)C(=O)NN[S](=O)(= O)c2ccccc2; [C@H](=C)COc2cc(C(=O)NNS(c1c cccc1)(=O)=O)c(c(C)c2)F |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide |
| 35665 |  O9Q CHEMBL3781227 ZINC000653729309 |
1 | C16 H12 O4 | InChI=1S/C16H12O4/c1-9-3- 2-4-10(5-9)14-8-13(19)16- 12(18)6-11(17)7-15(16)20- 14/h2-8,17-18H,1H3; IGTBSDZAEVYRPZ-UHFFFAOYSA-N |
Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2; Cc 1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O |
2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
| 35666 |  O9R CHEMBL5415497 |
8 | C25 H21 N O8 S2 | InChI=1S/C25H21NO8S2/c27- 18-8-6-17(7-9-18)22-13-23 (29)24(30)14-25(22)36(33, 34)26-15-16-4-10-20(11-5- 16)35(31,32)21-3-1-2-19(2 8)12-21/h1-14,26-30H,15H2; GAYXUPABCIZYGF-UHFFFAOYSA-N |
Oc1ccc(cc1)c2cc(O)c(O)cc2[S](=O)(=O)NCc3 ccc(cc3)[S](=O)(=O)c4cccc(O)c4; c1cc(cc( c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3cc(c( cc3c4ccc(cc4)O)O)O)O; O=S(=O)(NCc1ccc(cc 1)S(=O)(=O)c1cc(O)ccc1)c1cc(O)c(O)cc1c1c cc(O)cc1 |
4,4',5-trihydroxy-N-{[4-(3-hydroxybenzene-1-sulfonyl)phenyl]methyl}[1,1'-biphenyl]-2-sulfonamide |
| 35667 |  O9S CHEMBL4513861 |
1 | C17 H19 F N2 O4 S | InChI=1S/C17H19FN2O4S/c1- 11(2)24-13-9-12(3)16(18)1 5(10-13)17(21)19-20-25(22 ,23)14-7-5-4-6-8-14/h4-11 ,20H,1-3H3,(H,19,21); REQXSAOLNCUPGK-UHFFFAOYSA-N |
C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc 2)(=O)=O; CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[ S](=O)(=O)c2ccccc2; Cc1cc(cc(c1F)C(=O)NN S(=O)(=O)c2ccccc2)OC(C)C |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide |
| 35668 |  O9T CHEMBL182262 ZINC000028360254 |
1 | C16 H12 O4 | InChI=1S/C16H12O4/c1-9-2- 4-10(5-3-9)14-8-13(19)16- 12(18)6-11(17)7-15(16)20- 14/h2-8,17-18H,1H3; PXFZXOXUQVAZOV-UHFFFAOYSA-N |
Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O; Cc 1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2 |
2-(4-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
| 35669 |  O9U |
1 | C18 H16 Cl N O2 | InChI=1S/C18H16ClNO2/c19- 15-7-6-14(12-20-9-8-16(21 )11-18(20)22)17(10-15)13- 4-2-1-3-5-13/h1-7,10-11,2 1H,8-9,12H2; KDZNNGBVIZWMEE-UHFFFAOYSA-N |
OC1=CC(=O)N(CC1)Cc2ccc(Cl)cc2c3ccccc3; C lc1ccc(CN2CCC(O)=CC2=O)c(c1)c1ccccc1; c1 ccc(cc1)c2cc(ccc2CN3CCC(=CC3=O)O)Cl |
1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one |
| 35670 |  O9V CHEMBL4560554 |
1 | C17 H19 F N2 O4 S | InChI=1S/C17H19FN2O4S/c1- 3-9-24-13-10-12(2)16(18)1 5(11-13)17(21)19-20-25(22 ,23)14-7-5-4-6-8-14/h4-8, 10-11,20H,3,9H2,1-2H3,(H, 19,21); GOFZTZBCDBZRIA-UHFFFAOYSA-N |
CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2 )F)C; C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2c cccc2)(=O)=O; CCCOc1cc(C)c(F)c(c1)C(=O)N N[S](=O)(=O)c2ccccc2 |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide |
| 35671 |  O9W CHEMBL4790845 |
1 | C24 H26 Cl F N6 O | InChI=1S/C24H26ClFN6O/c1- 17-14-30(15-19-3-8-23(26) 9-4-19)11-12-31(17)24(33) 10-6-20-5-7-22(25)13-21(2 0)16-32-28-18(2)27-29-32/ h3-10,13,17H,11-12,14-16H 2,1-2H3/b10-6+/t17-/m1/s1; VZLIOCMTERNIPD-DKISHCGFSA-N |
C[C@@H]1CN(CCN1C(=O)/C=C/c2ccc(Cl)cc2Cn3 nnc(C)n3)Cc4ccc(F)cc4; Cc1nnn(n1)Cc2cc(c cc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F )Cl; C[CH]1CN(CCN1C(=O)C=Cc2ccc(Cl)cc2Cn 3nnc(C)n3)Cc4ccc(F)cc4; Cc1nnn(n1)Cc2cc( ccc2C=CC(=O)N3CCN(CC3C)Cc4ccc(cc4)F)Cl |
(~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl)methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one |
| 35672 |  O9X |
1 | C10 H12 F2 N2 O2 | InChI=1S/C10H12F2N2O2/c1- 6-3-4-13-5-8(6)14-9(15)7( 2)16-10(11)12/h3-5,7,10H, 1-2H3,(H,14,15)/t7-/m1/s1; XVSORZZOZIKMAO-SSDOTTSWSA-N |
Cc1ccncc1NC(=O)C(C)OC(F)F; O=C(Nc1cnccc1 C)C(C)OC(F)F; Cc1ccncc1NC(=O)[C@@H](C)OC (F)F; C[CH](OC(F)F)C(=O)Nc1cnccc1C; C[C@ @H](OC(F)F)C(=O)Nc1cnccc1C |
(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| 35673 |  O9Y CHEMBL4461380 |
1 | C16 H14 F N5 O3 S | InChI=1S/C16H14FN5O3S/c1- 11-9-12(22-18-7-8-19-22)1 0-14(15(11)17)16(23)20-21 -26(24,25)13-5-3-2-4-6-13 /h2-10,21H,1H3,(H,20,23); VOTAKFAKQLJZRE-UHFFFAOYSA-N |
c3(S(NNC(c1c(c(C)cc(c1)n2nccn2)F)=O)(=O) =O)ccccc3; Cc1cc(cc(c1F)C(=O)NNS(=O)(=O) c2ccccc2)n3nccn3; Cc1cc(cc(C(=O)NN[S](=O )(=O)c2ccccc2)c1F)n3nccn3 |
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide |
| 35674 |  O9Z CHEMBL486407 |
1 | C15 H9 F O4 | InChI=1S/C15H9FO4/c16-9-3 -1-8(2-4-9)13-7-12(19)15- 11(18)5-10(17)6-14(15)20- 13/h1-7,17-18H; XSYORHATJHJUAA-UHFFFAOYSA-N |
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F; Oc 1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(F)cc3 |
2-(4-fluorophenyl)-5,7-bis(oxidanyl)chromen-4-one |
| 35675 |  OA0 CHEMBL5561329 |
16 | C12 H8 O6 S | InChI=1S/C12H8O6S/c13-6-1 -2-7-8-4-9(14)10(15)5-12( 8)19(16,17)18-11(7)3-6/h1 -5,13-15H; XTOJDXLKTMASKC-UHFFFAOYSA-N |
Oc1ccc2c(O[S](=O)(=O)c3cc(O)c(O)cc23)c1; c1cc-2c(cc1O)OS(=O)(=O)c3c2cc(c(c3)O)O; Oc1ccc2c3cc(O)c(O)cc3S(=O)(=O)Oc2c1 |
(10aM)-3,8,9-trihydroxy-6H-6lambda~6~-dibenzo[c,e][1,2]oxathiine-6,6-dione |
| 35676 |  OA1 CHEMBL1234904 DB08314 ZINC000053683069 |
2 | C10 H7 Br N2 O2 | InChI=1S/C10H7BrN2O2/c11- 7-3-1-2-6(4-7)9(14)8-5-13 -10(12)15-8/h1-5H,(H2,12, 13); YDCMMVTWXORJGO-UHFFFAOYSA-N |
O=C(c1cccc(Br)c1)c2oc(nc2)N; Nc1oc(cn1)C (=O)c2cccc(Br)c2; c1cc(cc(c1)Br)C(=O)c2c nc(o2)N |
(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE |
| 35677 |  OA2 CHEMBL1234905 DB08315 ZINC000053683073 |
2 | C18 H17 N3 O2 | InChI=1S/C18H17N3O2/c19-1 8-20-11-16(23-18)17(22)21 (12-14-7-3-1-4-8-14)13-15 -9-5-2-6-10-15/h1-11H,12- 13H2,(H2,19,20); KIJXWOGFYAWTNC-UHFFFAOYSA-N |
O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N; c1 ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N; Nc 1oc(cn1)C(=O)N(Cc2ccccc2)Cc3ccccc3 |
2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE |
| 35678 |  OA3 DB08316 ZINC000003999417 |
2 | C10 H13 N3 O | InChI=1S/C10H13N3O/c1-10( 2)3-6-8(7(14)4-10)9(11)13 -5-12-6/h5H,3-4H2,1-2H3,( H2,11,12,13); DYPFWRCGECJCBK-UHFFFAOYSA-N |
CC1(Cc2c(c(ncn2)N)C(=O)C1)C; O=C2c1c(ncn c1N)CC(C2)(C)C; CC1(C)CC(=O)c2c(N)ncnc2C 1 |
4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one |
| 35679 |  OA4 DB08317 |
1 | C15 H14 N4 | InChI=1S/C15H14N4/c1-9-11 (10-5-3-2-4-6-10)7-8-12-1 3(9)14(16)19-15(17)18-12/ h2-8H,1H3,(H4,16,17,18,19 ); HUCOXWPHDFINIW-UHFFFAOYSA-N |
Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3; n3c1c(c (c(cc1)c2ccccc2)C)c(nc3N)N; Cc1c(ccc2nc( N)nc(N)c12)c3ccccc3 |
5-methyl-6-phenylquinazoline-2,4-diamine |
| 35680 |  OA5 DB08318 ZINC000053683076 |
2 | C11 H13 N5 O2 | InChI=1S/C11H13N5O2/c12-9 -14-10(13)16-11(15-9)18-7 -6-17-8-4-2-1-3-5-8/h1-5H ,6-7H2,(H4,12,13,14,15,16 ); LRQXUZUFSOQMGU-UHFFFAOYSA-N |
c1ccc(cc1)OCCOc2nc(nc(n2)N)N; Nc1nc(N)nc (OCCOc2ccccc2)n1; O(c1nc(nc(n1)N)N)CCOc2 ccccc2 |
6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine |
| 35681 |  OA7 CHEMBL95293 ZINC000008576188 |
10 | C6 H5 N O3 | InChI=1S/C6H5NO3/c8-5-2-1 -4(3-7-5)6(9)10/h1-3H,(H, 7,8)(H,9,10); BLHCMGRVFXRYRN-UHFFFAOYSA-N |
c1cc(O)ncc1C(O)=O; c1cc(ncc1C(=O)O)O; OC (=O)c1ccc(O)nc1 |
6-hydroxypyridine-3-carboxylic acid; 6-hydroxynicotinic acid |
| 35682 |  OA8 |
3 | C10 H18 N O10 P | InChI=1S/C10H18NO10P/c1-4 (12)11-7-8(14)9(20-5(2)13 )6(21-10(7)15)3-19-22(16, 17)18/h6-10,14-15H,3H2,1- 2H3,(H,11,12)(H2,16,17,18 )/t6-,7+,8-,9-,10?/m1/s1; WZFGOBLYIBEZRF-QWIPYHCPSA-N |
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP (=O)(O)O)OC(=O)C)O; CC(=O)N[CH]1[CH](O)O [CH](CO[P](O)(O)=O)[CH](OC(C)=O)[CH]1O; CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O )=O)[C@@H](OC(C)=O)[C@@H]1O; CC(=O)NC1C( C(C(OC1O)COP(=O)(O)O)OC(=O)C)O |
{[(2R,3S,4R,5S,6S)-3-(acetyloxy)-5-acetamido-4,6-dihydroxyoxan-2-yl]methoxy}phosphonic acid |
| 35683 |  OA9 ZINC000008551948 |
3 | C26 H40 N7 O19 P3 S | InChI=1S/C26H40N7O19P3S/c 1-13(8-16(35)36)25(40)56- 7-6-28-15(34)4-5-29-23(39 )20(38)26(2,3)10-49-55(46 ,47)52-54(44,45)48-9-14-1 9(51-53(41,42)43)18(37)24 (50-14)33-12-32-17-21(27) 30-11-31-22(17)33/h8,11-1 2,14,18-20,24,37-38H,4-7, 9-10H2,1-3H3,(H,28,34)(H, 29,39)(H,35,36)(H,44,45)( H,46,47)(H2,27,30,31)(H2, 41,42,43)/b13-8+/t14-,18- ,19-,20+,24-/m1/s1; LVBVWNJPMXCQJE-CBBDEUQJSA-N |
CC(=CC(=O)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C) (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)O; CC(=CC(O)=O)C( =O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]( O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23; C/C(=C\ C(=O)O)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C )(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C @H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O) O)O; C\C(=C/C(O)=O)C(=O)SCCNC(=O)CCNC(=O )[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)O C[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)= O)n2cnc3c(N)ncnc23 |
Mesaconyl Coenzme A; (~{E})-4-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-but-2-enoic acid; Mesaconyl-CoA; 2-methylfumaroyl-CoA |
| 35684 |  OAA DB02637 |
194 | C4 H3 O5 | InChI=1S/C4H4O5/c5-2(4(8) 9)1-3(6)7/h1H2,(H,6,7)(H, 8,9)/p-1; KHPXUQMNIQBQEV-UHFFFAOYSA-M |
[O-]C(=O)CC(=O)C(=O)O; C(C(=O)C(=O)O)C(= O)[O-]; OC(=O)C(=O)CC([O-])=O |
OXALOACETATE ION |
| 35685 |  OAB |
3 | C10 H18 N O10 P | InChI=1S/C10H18NO10P/c1-4 (12)11-7-9(20-5(2)13)8(14 )6(21-10(7)15)3-19-22(16, 17)18/h6-10,14-15H,3H2,1- 2H3,(H,11,12)(H2,16,17,18 )/t6-,7+,8-,9-,10?/m1/s1; LMXWGHPJIXYEIE-QWIPYHCPSA-N |
CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[ CH](O)[CH]1OC(C)=O; CC(=O)N[C@H]1[C@H]([ C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C; CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O )=O)[C@@H](O)[C@@H]1OC(C)=O; CC(=O)NC1C( C(C(OC1O)COP(=O)(O)O)O)OC(=O)C |
{[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic acid |
| 35686 |  OAC DB01662 |
1 | C10 H12 O3 | InChI=1S/C10H12O3/c1-7(10 (12)13)6-8-4-2-3-5-9(8)11 /h2-5,7,11H,6H2,1H3,(H,12 ,13)/t7-/m1/s1; HGNFDPZASRDVLL-SSDOTTSWSA-N |
C[C@H](Cc1ccccc1O)C(O)=O; CC(Cc1ccccc1O) C(=O)O; O=C(O)C(Cc1ccccc1O)C; C[CH](Cc1c cccc1O)C(O)=O |
TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE |
| 35687 |  OAD DB03478 ZINC000058638658 |
9 | C17 H25 N5 O15 P2 | InChI=1S/C17H25N5O15P2/c1 -6(23)34-13-11(25)8(36-17 (13)27)3-33-39(30,31)37-3 8(28,29)32-2-7-10(24)12(2 6)16(35-7)22-5-21-9-14(18 )19-4-20-15(9)22/h4-5,7-8 ,10-13,16-17,24-27H,2-3H2 ,1H3,(H,28,29)(H,30,31)(H 2,18,19,20)/t7-,8-,10-,11 -,12-,13-,16-,17+/m1/s1; BFNOPXRXIQJDHO-DLFWLGJNSA-N |
CC(=O)OC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC 2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)O[ CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O) OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncn c34)[CH]1O; O=C(OC1C(O)C(OC1O)COP(=O)(O) OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O )C; CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O )CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@ H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)O[C@H]1[C@@H](O)O[C@H](CO[P](O)(= O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@ H]2O)n3cnc4c(N)ncnc34)[C@H]1O |
2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE |
| 35688 |  OAE ZINC000034064296 |
10 | C16 H21 N3 O5 S | InChI=1S/C16H21N3O5S/c1-1 6(2)11(15(23)24)19-13(25- 16)10(14(21)22)18-12(20)9 (17)8-6-4-3-5-7-8/h3-7,9- 11,13,19H,17H2,1-2H3,(H,1 8,20)(H,21,22)(H,23,24)/t 9-,10+,11+,13+/m1/s1; KDAWOPKDXRJNHV-BLFANLJRSA-N |
O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2 ccccc2)N; CC1(C(NC(S1)C(C(=O)O)NC(=O)C(c 2ccccc2)N)C(=O)O)C; CC1([C@@H](N[C@@H](S 1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N) C(=O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH]( NC(=O)[CH](N)c2ccccc2)C(O)=O; CC1(C)S[C@ H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](N)c2c cccc2)C(O)=O |
(2S,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| 35689 |  OAF |
15 | C4 H4 F2 O6 | InChI=1S/C4H4F2O6/c5-3(6, 1(7)8)4(11,12)2(9)10/h11- 12H,(H,7,8)(H,9,10); PNUBNHHFDUCRFW-UHFFFAOYSA-N |
FC(F)(C(=O)O)C(O)(O)C(=O)O; OC(=O)C(O)(O )C(F)(F)C(O)=O; C(=O)(C(C(C(=O)O)(F)F)(O )O)O |
2,2-difluoro-3,3-dihydroxybutanedioic acid |
| 35690 |  OAG CHEMBL145979 ZINC000005973982 |
3 | C14 H12 Cl2 N6 | InChI=1S/C14H12Cl2N6/c15- 8-1-2-10(16)11(4-8)19-5-7 -3-9-12(17)21-14(18)22-13 (9)20-6-7/h1-4,6,19H,5H2, (H4,17,18,20,21,22); RSPDQFOJWPXTPN-UHFFFAOYSA-N |
c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl; Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)cnc2n1 |
6-{[(2,5-dichlorophenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine |
| 35691 |  OAH ZINC000013538980 |
1 | C10 H14 N5 O6 P | InChI=1S/C10H14N5O6P/c11- 9-8-10(13-3-12-9)15(4-14- 8)7-1-5(16)6(21-7)2-20-22 (17,18)19/h3-7,16H,1-2H2, (H2,11,12,13)(H2,17,18,19 )/t5-,6-,7+/m1/s1; KHWCHTKSEGGWEX-QYNIQEEDSA-N |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P]( O)(O)=O)O3; Nc1ncnc2n(cnc12)[C@@H]3C[C@@ H](O)[C@@H](CO[P](O)(O)=O)O3; c1nc(c2c(n 1)n(cn2)C3CC(C(O3)COP(=O)(O)O)O)N; c1nc( c2c(n1)n(cn2)[C@@H]3C[C@H]([C@H](O3)COP( =O)(O)O)O)N; O=P(O)(O)OCC3OC(n2cnc1c(ncn c12)N)CC3O |
9-(2-deoxy-5-O-phosphono-alpha-D-threo-pentofuranosyl)-9H-purin-6-amine |
| 35692 |  OAI CHEMBL342478 DB04001 |
1 | C11 H8 N2 O5 | InChI=1S/C11H8N2O5/c14-9( 11(17)18)13-8-4-7-5(1-2-1 2-7)3-6(8)10(15)16/h1-4,1 2H,(H,13,14)(H,15,16)(H,1 7,18); AHWMERGBWWROMM-UHFFFAOYSA-N |
O=C(O)C(=O)Nc1c(cc2c(c1)ncc2)C(=O)O; c1c [nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O; OC( =O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O |
6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID |
| 35693 |  OAJ |
3 | C21 H20 N2 O5 | InChI=1S/C21H20N2O5/c1-14 -10-18(7-4-16(14)12-22)28 -17-5-2-15(3-6-17)11-20(2 4)23-8-9-27-13-19(23)21(2 5)26/h2-7,10,19H,8-9,11,1 3H2,1H3,(H,25,26)/t19-/m1 /s1; AJUGJYIFDAVOIF-LJQANCHMSA-N |
Cc1cc(Oc2ccc(CC(=O)N3CCOC[C@@H]3C(O)=O)c c2)ccc1C#N; OC(C1COCCN1C(Cc2ccc(cc2)Oc3c c(C)c(cc3)C#N)=O)=O; Cc1cc(ccc1C#N)Oc2cc c(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O; Cc1cc(O c2ccc(CC(=O)N3CCOC[CH]3C(O)=O)cc2)ccc1C# N; Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC C3C(=O)O |
(3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid |
| 35694 |  OAK CHEMBL131967 ZINC000003833812 |
1 | C13 H17 N O6 | InChI=1S/C13H17NO6/c15-6- 8-9(16)10(17)11(18)13(20- 8)14-12(19)7-4-2-1-3-5-7/ h1-5,8-11,13,15-18H,6H2,( H,14,19)/t8-,9-,10+,11-,1 3-/m1/s1; SPYSOSUFGSNSMY-BZNQNGANSA-N |
O=C(NC1OC(C(O)C(O)C1O)CO)c2ccccc2; c1ccc (cc1)C(=O)NC2C(C(C(C(O2)CO)O)O)O; OC[CH] 1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH] 1O; c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([ C@@H]([C@H](O2)CO)O)O)O; OC[C@H]1O[C@@H] (NC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1 O |
N-(phenylcarbonyl)-beta-D-glucopyranosylamine; N-(phenylcarbonyl)-beta-D-glucosylamine; N-(phenylcarbonyl)-D-glucosylamine; N-(phenylcarbonyl)-glucosylamine |
| 35695 |  OAL DB03037 ZINC000006251605 |
1 | C16 H10 O6 | InChI=1S/C16H10O6/c17-10- 3-1-2-8-12(10)16(22)13-9( 15(8)21)5-4-7(14(13)20)6- 11(18)19/h1-5,17,20H,6H2, (H,18,19); IKFRFGXQHSBCQM-UHFFFAOYSA-N |
O=C2c1cccc(O)c1C(=O)c3c2ccc(c3O)CC(=O)O; c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O) C2=O; OC(=O)Cc1ccc2C(=O)c3cccc(O)c3C(=O) c2c1O |
(1,8-DIHYDROXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID; OXIDIZED ACETYL DITHRANOL |
| 35696 |  OAM ZINC000001384160 |
1 | C13 H18 N8 | InChI=1S/C13H18N8/c1-10-1 7-18-13(11-8-16-19(2)12(1 1)14)21(10)6-3-5-20-7-4-1 5-9-20/h4,7-9H,3,5-6,14H2 ,1-2H3; UZDLBPIOOFFHSD-UHFFFAOYSA-N |
n3cc(c1nnc(n1CCCn2ccnc2)C)c(N)n3C; Cn1nc c(c1N)c2nnc(C)n2CCCn3ccnc3; Cc1nnc(n1CCC n2ccnc2)c3cnn(c3N)C |
4-{4-[3-(1H-imidazol-1-yl)propyl]-5-methyl-4H-1,2,4-triazol-3-yl}-1-methyl-1H-pyrazol-5-amine |
| 35697 |  OAN CHEMBL404482 ZINC000038599450 |
30 | C15 H19 N3 O7 | InChI=1S/C15H19N3O7/c1-8( 20)16-11-13(22)12(21)10(7 -19)24-14(11)18-25-15(23) 17-9-5-3-2-4-6-9/h2-6,10- 13,19,21-22H,7H2,1H3,(H,1 6,20)(H,17,23)/b18-14-/t1 0-,11-,12-,13-/m1/s1; PBLNJFVQMUMOJY-JXZOILRNSA-N |
CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@@H](C O)OC\1=N\OC(=O)Nc2ccccc2; CC(=O)NC1C(C(C (OC1=NOC(=O)Nc2ccccc2)CO)O)O; CC(=O)N[C@ @H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2 ccccc2)CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O )[CH](CO)OC1=NOC(=O)Nc2ccccc2; O=C(O\N=C 1/OC(CO)C(O)C(O)C1NC(=O)C)Nc2ccccc2 |
O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE; PUGNAc |
| 35698 |  OAO |
1 | C18 H17 Cl N4 O3 | InChI=1S/C18H17ClN4O3/c1- 11-3-4-20-9-16(11)22-17(2 4)7-13-5-14(19)8-15(6-13) 25-10-18-21-12(2)23-26-18 /h3-6,8-9H,7,10H2,1-2H3,( H,22,24); ISRHBBIYTNRSMM-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)OCc3nc(no3 )C; Cc1noc(COc2cc(Cl)cc(CC(=O)Nc3cnccc3C )c2)n1; Cc1nc(COc2cc(CC(=O)Nc3cnccc3C)cc (Cl)c2)on1 |
2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide |
| 35699 |  OAP CHEMBL1234914 |
6 | C31 H37 N O3 S | InChI=1S/C31H37NO3S/c33-3 0(16-10-2-1-5-11-25-12-6- 3-7-13-25)32-28(19-22-31( 34)35)24-36-29-20-17-27(1 8-21-29)23-26-14-8-4-9-15 -26/h3-4,6-9,12-15,17-18, 20-21,28H,1-2,5,10-11,16, 19,22-24H2,(H,32,33)(H,34 ,35)/t28-/m0/s1; BLFSPSZATDQQMK-NDEPHWFRSA-N |
c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CS c2ccc(cc2)Cc3ccccc3; c1ccc(cc1)CCCCCCC(= O)NC(CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3; OC( =O)CC[CH](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CC CCCCc3ccccc3; OC(=O)CC[C@@H](CSc1ccc(Cc2 ccccc2)cc1)NC(=O)CCCCCCc3ccccc3; O=C(O)C CC(NC(=O)CCCCCCc1ccccc1)CSc2ccc(cc2)Cc3c cccc3 |
4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID |
| 35700 |  OAQ ZINC000000896836 |
9 | C14 H21 N3 O3 | InChI=1S/C14H21N3O3/c1-9( 2)15-7-12-4-3-10-5-11(8-1 8)14(17(19)20)6-13(10)16- 12/h5-6,9,12,15-16,18H,3- 4,7-8H2,1-2H3/t12-/m0/s1; XCGYUJZMCCFSRP-LBPRGKRZSA-N |
CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O- ])CO; [O-][N+](=O)c1c(cc2c(c1)NC(CC2)CNC (C)C)CO; CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O )[O-])CO; CC(C)NC[CH]1CCc2cc(CO)c(cc2N1) [N+]([O-])=O; CC(C)NC[C@@H]1CCc2cc(CO)c( cc2N1)[N+]([O-])=O |
{(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol; Oxamniquine |
| 35701 |  OAR |
0 | C6 H16 N4 O | InChI=1S/C6H16N4O/c7-5(4- 11)2-1-3-10-6(8)9/h5,11H, 1-4,7H2,(H4,8,9,10)/t5-/m 0/s1; UFAABHKZLQFLSG-YFKPBYRVSA-N |
C(CC(CO)N)CNC(=N)N; N[CH](CO)CCCNC(N)=N; [H]/N=C(/N)\NCCC[C@@H](CO)N; [N@H]=C(NC CCC(N)CO)N; N[C@H](CO)CCCNC(N)=N |
N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE |
| 35702 |  OAS CHEMBL1234916 DB01837 ZINC000000895446 |
10 | C5 H9 N O4 | InChI=1S/C5H9NO4/c1-3(7)1 0-2-4(6)5(8)9/h4H,2,6H2,1 H3,(H,8,9)/t4-/m0/s1; VZXPDPZARILFQX-BYPYZUCNSA-N |
CC(=O)OC[C@@H](C(=O)O)N; CC(=O)OC[CH](N) C(O)=O; CC(=O)OC[C@H](N)C(O)=O; O=C(OCC( N)C(=O)O)C; CC(=O)OCC(C(=O)O)N |
O-ACETYLSERINE |
| 35703 |  OAT CHEMBL5411883 |
6 | C25 H21 N O10 S2 | InChI=1S/C25H21NO10S2/c27 -20-8-3-16(11-23(20)30)26 (38(35,36)19-7-10-22(29)2 5(32)13-19)14-15-1-4-17(5 -2-15)37(33,34)18-6-9-21( 28)24(31)12-18/h1-13,27-3 2H,14H2; IMBHNAVYXWHQLJ-UHFFFAOYSA-N |
c1cc(ccc1CN(c2ccc(c(c2)O)O)S(=O)(=O)c3cc c(c(c3)O)O)S(=O)(=O)c4ccc(c(c4)O)O; Oc1c cc(cc1O)N(Cc2ccc(cc2)[S](=O)(=O)c3ccc(O) c(O)c3)[S](=O)(=O)c4ccc(O)c(O)c4; Oc1ccc (cc1O)S(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)c1c c(O)c(O)cc1)c1ccc(O)c(O)c1 |
N-{[4-(3,4-dihydroxybenzene-1-sulfonyl)phenyl]methyl}-N-(3,4-dihydroxyphenyl)-3,4-dihydroxybenzene-1-sulfonamide |
| 35704 |  OAU |
4 | C21 H24 N2 | InChI=1S/C21H24N2/c1-6-21 (4)12-11-15(14(2)3)19(20( 21)22-5)17-13-23-18-10-8- 7-9-16(17)18/h6-10,13,15, 19-20,23H,1-2,11-12H2,3-4 H3/t15-,19+,20-,21-/m1/s1; KGWATBYKCMCFLC-CGRMTHRGSA-N |
CC(=C)[C@H]1CC[C@@]([C@@H]([C@@H]1c2c[nH ]c3c2cccc3)[N+]#[C-])(C)C=C; CC(=C)[C@H] 1CC[C@@](C)(C=C)[C@H]([N+]#[C-])[C@@H]1c 2c[nH]c3ccccc23; CC(=C)C1CCC(C(C1c2c[nH] c3c2cccc3)[N+]#[C-])(C)C=C; CC(=C)[CH]1C C[C](C)(C=C)[CH]([N+]#[C-])[CH]1c2c[nH]c 3ccccc23 |
3-[(1~{S},2~{R},3~{S},6~{S})-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-yl-cyclohexyl]-1~{H}-indole; 12-epi-hapalindole C isoniltrile; 3-[(1R,2S,3R,6R)-3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl]-1H-indole |
| 35705 |  OAV CHEMBL4635874 |
2 | C23 H24 N4 O2 | InChI=1S/C23H24N4O2/c1-3- 26(13-14-27-12-4-11-25-27 )23(28)16-19-5-8-21(9-6-1 9)29-22-10-7-20(17-24)18( 2)15-22/h4-12,15H,3,13-14 ,16H2,1-2H3; ABKHTUJKHPJZLS-UHFFFAOYSA-N |
CCN(CCn1cccn1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C )c3)cc2; CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)O c3ccc(c(c3)C)C#N; c3(cc(Oc2ccc(CC(N(CC)C Cn1cccn1)=O)cc2)ccc3C#N)C |
2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide |
| 35706 |  OAW CHEMBL1234917 ZINC000058638466 |
1 | C13 H15 N7 O | InChI=1S/C13H15N7O/c1-6(2 )20-11-9(7(3)17-13(14)19- 11)18-10(12(20)21)8-4-15- 16-5-8/h4-6H,1-3H3,(H,15, 16)(H2,14,17,19); YIFGKPFEGAUADP-UHFFFAOYSA-N |
Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C (C)C; CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3 c[nH]nc3; O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C) c3cnnc3 |
2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one |
| 35707 |  OAX |
2 | C13 H15 Cl N2 O2 | InChI=1S/C13H15ClN2O2/c14 -12-5-3-11(4-6-12)13(18)1 5-8-16(9-17)7-10-1-2-10/h 3-6,9-10H,1-2,7-8H2,(H,15 ,18); ZKBKHQJPIDEDKI-UHFFFAOYSA-N |
Clc1ccc(cc1)C(=O)NCN(CC2CC2)C=O; c1cc(cc c1C(=O)NCN(CC2CC2)C=O)Cl |
4-chloranyl-N-[[cyclopropylmethyl(methanoyl)amino]methyl]benzamide |
| 35708 |  OAY |
1 | C22 H24 N4 O4 | InChI=1S/C22H24N4O4/c1-11 -14(19(27)17-18(13-6-7-13 )23-25(3)20(17)28)8-9-15- 16(11)21(29)26(10-12-4-5- 12)22(30)24(15)2/h8-9,12- 13,23H,4-7,10H2,1-3H3; WZQUIHCGANDDPY-UHFFFAOYSA-N |
CN1NC(=C(C1=O)C(=O)c2ccc3N(C)C(=O)N(CC4C C4)C(=O)c3c2C)C5CC5; Cc1c(ccc2c1C(=O)N(C (=O)N2C)CC3CC3)C(=O)C4=C(NN(C4=O)C)C5CC5 |
3-(cyclopropylmethyl)-6-[(5-cyclopropyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione |
| 35709 |  OAZ |
1 | C8 H7 N3 O2 | InChI=1S/C8H7N3O3/c9-11-1 0-7-4-2-1-3-6(7)5-14-8(12 )13/h1-4H,5H2,(H,12,13); YHJYQHHCLBKKKY-UHFFFAOYSA-N |
c1ccc(c(c1)COC(=O)O)N=[N+]=[N-]; OC(=O)O Cc1ccccc1N=[N+]=[N-]; C(=O)(O)OCc1c(cccc 1)N=[N+]=[N-] |
(2-azidophenyl)methyl hydrogen carbonate |
| 35710 |  OB0 CHEMBL5407560 |
8 | C16 H19 N3 O6 S2 | InChI=1S/C16H19N3O6S2/c17 -12-1-3-13(4-2-12)26(22,2 3)18-7-9-19(10-8-18)27(24 ,25)14-5-6-15(20)16(21)11 -14/h1-6,11,20-21H,7-10,1 7H2; AWUAPCWPGNYJRR-UHFFFAOYSA-N |
Nc1ccc(cc1)[S](=O)(=O)N2CCN(CC2)[S](=O)( =O)c3ccc(O)c(O)c3; c1cc(ccc1N)S(=O)(=O)N 2CCN(CC2)S(=O)(=O)c3ccc(c(c3)O)O; O=S(=O )(c1cc(O)c(O)cc1)N1CCN(CC1)S(=O)(=O)c1cc c(N)cc1 |
4-[4-(4-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl]benzene-1,2-diol |
| 35711 |  OB1 ZINC000217097601 |
2 | C24 H21 N O5 S | InChI=1S/C24H21NO5S/c26-1 8-10-6-15(7-11-18)22-20-1 4-21(31(28,29)25-17-4-2-1 -3-5-17)24(30-20)23(22)16 -8-12-19(27)13-9-16/h1-13 ,20-21,24-27H,14H2/t20-,2 1+,24+/m0/s1; HRIRAPQMJVLREA-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O) (=O)Nc4ccccc4)c5ccc(O)cc5; Oc1ccc(cc1)C2 =C([C@@H]3O[C@H]2C[C@H]3[S](=O)(=O)Nc4cc ccc4)c5ccc(O)cc5; c1ccc(cc1)NS(=O)(=O)[C @@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c 5ccc(cc5)O; c1c(O)ccc(c1)C3=C(c2ccc(O)cc 2)C4OC3C(C4)S(Nc5ccccc5)(=O)=O; c1ccc(cc 1)NS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c 5ccc(cc5)O |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35712 |  OB2 ZINC000584905636 |
2 | C25 H23 N O5 S | InChI=1S/C25H23NO5S/c1-26 (18-5-3-2-4-6-18)32(29,30 )22-15-21-23(16-7-11-19(2 7)12-8-16)24(25(22)31-21) 17-9-13-20(28)14-10-17/h2 -14,21-22,25,27-28H,15H2, 1H3/t21-,22+,25+/m0/s1; HSQGBJYGRBCENH-SGIRGMQISA-N |
CN(c1ccccc1)S(=O)(=O)C2CC3C(=C(C2O3)c4cc c(cc4)O)c5ccc(cc5)O; CN(c1ccccc1)[S](=O) (=O)[C@@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)c c4)c5ccc(O)cc5; CN(c1ccccc1)[S](=O)(=O)[ CH]2C[CH]3O[CH]2C(=C3c4ccc(O)cc4)c5ccc(O )cc5; CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H] 3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; c1c(ccc(c1)O)C2=C(C3C(CC2O3)S(=O)(N(c4c cccc4)C)=O)c5ccc(O)cc5 |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35713 |  OB3 ZINC000584905643 |
3 | C25 H22 Cl N O5 S | InChI=1S/C25H22ClNO5S/c1- 27(20-5-3-2-4-19(20)26)33 (30,31)22-14-21-23(15-6-1 0-17(28)11-7-15)24(25(22) 32-21)16-8-12-18(29)13-9- 16/h2-13,21-22,25,28-29H, 14H2,1H3/t21-,22+,25+/m0/ s1; UOCUJSGNIGCJMB-SGIRGMQISA-N |
c1cc(ccc1O)C2=C(C3CC(C2O3)S(=O)(N(C)c4c( Cl)cccc4)=O)c5ccc(cc5)O; CN(c1ccccc1Cl)S (=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4c cc(cc4)O)c5ccc(cc5)O; CN(c1ccccc1Cl)S(=O )(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc(cc 5)O; CN(c1ccccc1Cl)[S](=O)(=O)[C@@H]2C[C @@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 ; CN(c1ccccc1Cl)[S](=O)(=O)[CH]2C[CH]3O[ CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5 |
(1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35714 |  OB4 ZINC000584905633 |
1 | C27 H27 N O6 S | InChI=1S/C27H27NO6S/c1-3- 28(19-8-14-22(33-2)15-9-1 9)35(31,32)24-16-23-25(17 -4-10-20(29)11-5-17)26(27 (24)34-23)18-6-12-21(30)1 3-7-18/h4-15,23-24,27,29- 30H,3,16H2,1-2H3/t23-,24+ ,27+/m0/s1; DGXXRQNAGODTPD-CLCZQPDDSA-N |
CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; CCN(c 1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C( [C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; c1c(c cc(c1)C3=C(c2ccc(O)cc2)C4OC3C(C4)S(=O)(N (c5ccc(OC)cc5)CC)=O)O; CCN(c1ccc(cc1)OC) S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5cc c(cc5)O; CCN(c1ccc(OC)cc1)[S](=O)(=O)[C@ @H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5cc c(O)cc5 |
(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35715 |  OB5 ZINC000205575595 |
1 | C27 H27 N O6 S | InChI=1S/C27H27NO6S/c1-3- 28(19-8-14-22(33-2)15-9-1 9)35(31,32)24-16-23-25(17 -4-10-20(29)11-5-17)26(27 (24)34-23)18-6-12-21(30)1 3-7-18/h4-15,23-24,27,29- 30H,3,16H2,1-2H3/t23-,24+ ,27+/m1/s1; DGXXRQNAGODTPD-DXBVXKBHSA-N |
CCN(c1ccc(OC)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; CCN(c 1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C( [C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1 ccc(OC)cc1)[S](=O)(=O)[C@H]2C[C@H]3O[C@@ H]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; c5c(ccc (C=1C3CC(C(C=1c2ccc(cc2)O)O3)S(=O)(N(c4c cc(cc4)OC)CC)=O)c5)O; CCN(c1ccc(cc1)OC)S (=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc (cc5)O |
(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35716 |  OB6 ZINC000584905640 |
1 | C26 H24 Cl N O5 S | InChI=1S/C26H24ClNO5S/c1- 2-28(19-9-7-18(27)8-10-19 )34(31,32)23-15-22-24(16- 3-11-20(29)12-4-16)25(26( 23)33-22)17-5-13-21(30)14 -6-17/h3-14,22-23,26,29-3 0H,2,15H2,1H3/t22-,23+,26 +/m0/s1; NQOVQKVPQWLWNF-PPJWLVRDSA-N |
CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3 C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[CH]2C[CH]3O [CH]2C(=C3c4ccc(O)cc4)c5ccc(O)cc5; c1(cc c(cc1)C=2C4CC(C(C=2c3ccc(cc3)O)O4)S(=O)( N(c5ccc(cc5)Cl)CC)=O)O; CCN(c1ccc(cc1)Cl )S(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5c cc(cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[C @@H]2C[C@@H]3O[C@H]2C(=C3c4ccc(O)cc4)c5c cc(O)cc5 |
(1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35717 |  OB7 ZINC000205575637 |
1 | C26 H24 Cl N O5 S | InChI=1S/C26H24ClNO5S/c1- 2-28(19-9-7-18(27)8-10-19 )34(31,32)23-15-22-24(16- 3-11-20(29)12-4-16)25(26( 23)33-22)17-5-13-21(30)14 -6-17/h3-14,22-23,26,29-3 0H,2,15H2,1H3/t22-,23+,26 +/m1/s1; NQOVQKVPQWLWNF-UMFSSWHCSA-N |
c1(O)ccc(cc1)C3=C(c2ccc(cc2)O)C4OC3C(C4) S(=O)(N(CC)c5ccc(cc5)Cl)=O; CCN(c1ccc(cc 1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O 3)c4ccc(cc4)O)c5ccc(cc5)O; CCN(c1ccc(Cl) cc1)[S](=O)(=O)[CH]2C[CH]3O[CH]2C(=C3c4c cc(O)cc4)c5ccc(O)cc5; CCN(c1ccc(cc1)Cl)S (=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc4)O)c5ccc (cc5)O; CCN(c1ccc(Cl)cc1)[S](=O)(=O)[C@H ]2C[C@H]3O[C@@H]2C(=C3c4ccc(O)cc4)c5ccc( O)cc5 |
(1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35718 |  OB8 ZINC000584905641 |
2 | C30 H27 N O5 S | InChI=1S/C30H27NO5S/c1-2- 31(23-12-7-19-5-3-4-6-22( 19)17-23)37(34,35)27-18-2 6-28(20-8-13-24(32)14-9-2 0)29(30(27)36-26)21-10-15 -25(33)16-11-21/h3-17,26- 27,30,32-33H,2,18H2,1H3/t 26-,27+,30+/m0/s1; NWFALEHEZQFOMU-PVTPYKNESA-N |
CCN(c1ccc2ccccc2c1)S(=O)(=O)C3CC4C(=C(C3 O4)c5ccc(cc5)O)c6ccc(cc6)O; CCN(c1ccc2cc ccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H ]3O4)c5ccc(cc5)O)c6ccc(cc6)O; c1c(O)ccc( c1)C3=C(c2ccc(O)cc2)C4CC(C3O4)S(=O)(N(CC )c5ccc6c(c5)cccc6)=O; CCN(c1ccc2ccccc2c1 )[S](=O)(=O)[CH]3C[CH]4O[CH]3C(=C4c5ccc( O)cc5)c6ccc(O)cc6; CCN(c1ccc2ccccc2c1)[S ](=O)(=O)[C@@H]3C[C@@H]4O[C@H]3C(=C4c5cc c(O)cc5)c6ccc(O)cc6 |
(1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35719 |  OB9 ZINC000584905637 |
3 | C26 H22 F3 N O5 S | InChI=1S/C26H22F3NO5S/c27 -26(28,29)15-30(18-4-2-1- 3-5-18)36(33,34)22-14-21- 23(16-6-10-19(31)11-7-16) 24(25(22)35-21)17-8-12-20 (32)13-9-17/h1-13,21-22,2 5,31-32H,14-15H2/t21-,22+ ,25+/m0/s1; IKDGMHLBCBZLCS-SGIRGMQISA-N |
c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[ C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc 5)O; Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H ]3[S](=O)(=O)N(CC(F)(F)F)c4ccccc4)c5ccc( O)cc5; c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4C C(C3O4)S(N(CC(F)(F)F)c5ccccc5)(=O)=O; c1 ccc(cc1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C 2O3)c4ccc(cc4)O)c5ccc(cc5)O; Oc1ccc(cc1) C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N(CC(F) (F)F)c4ccccc4)c5ccc(O)cc5 |
(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35720 |  OBA CHEMBL139050 DB02622 ZINC000002007905 |
1 | C9 H7 N O5 | InChI=1S/C9H7NO5/c11-7(9( 14)15)10-6-4-2-1-3-5(6)8( 12)13/h1-4H,(H,10,11)(H,1 2,13)(H,14,15); QBYNNSFEMMNINN-UHFFFAOYSA-N |
O=C(Nc1ccccc1C(=O)O)C(=O)O; c1ccc(c(c1)C (=O)O)NC(=O)C(=O)O; OC(=O)C(=O)Nc1ccccc1 C(O)=O |
2-(OXALYL-AMINO)-BENZOIC ACID |
| 35721 |  OBB ZINC000584905646 |
2 | C24 H19 Br O6 S | InChI=1S/C24H19BrO6S/c25- 16-2-1-3-19(12-16)31-32(2 8,29)21-13-20-22(14-4-8-1 7(26)9-5-14)23(24(21)30-2 0)15-6-10-18(27)11-7-15/h 1-12,20-21,24,26-27H,13H2 /t20-,21+,24+/m0/s1; YUEGTSPCXKRDJQ-YZUZCNPQSA-N |
c1cc(cc(c1)Br)OS(=O)(=O)C2CC3C(=C(C2O3)c 4ccc(cc4)O)c5ccc(cc5)O; Oc1ccc(cc1)C2=C( [CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4cccc(Br)c 4)c5ccc(O)cc5; c1(O)ccc(cc1)C3=C(c2ccc(O )cc2)C4OC3CC4S(=O)(Oc5cccc(c5)Br)=O; c1c c(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C( [C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O; Oc1cc c(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S](=O)( =O)Oc4cccc(Br)c4)c5ccc(O)cc5 |
3-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 35722 |  OBC ZINC000584905645 |
3 | C24 H19 F O6 S | InChI=1S/C24H19FO6S/c25-1 8-3-1-2-4-19(18)31-32(28, 29)21-13-20-22(14-5-9-16( 26)10-6-14)23(24(21)30-20 )15-7-11-17(27)12-8-15/h1 -12,20-21,24,26-27H,13H2/ t20-,21+,24+/m0/s1; XRYOAXYWMLONJO-YZUZCNPQSA-N |
c1ccc(c(c1)OS(=O)(=O)C2CC3C(=C(C2O3)c4cc c(cc4)O)c5ccc(cc5)O)F; Oc1ccc(cc1)C2=C([ CH]3O[CH]2C[CH]3[S](=O)(=O)Oc4ccccc4F)c5 ccc(O)cc5; O=S(=O)(Oc1ccccc1F)C2CC5OC2C( c3ccc(O)cc3)=C5c4ccc(O)cc4; c1ccc(c(c1)O S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4 ccc(cc4)O)c5ccc(cc5)O)F; Oc1ccc(cc1)C2=C ([C@@H]3O[C@H]2C[C@H]3[S](=O)(=O)Oc4cccc c4F)c5ccc(O)cc5 |
2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 35723 |  OBD ZINC000098209259 |
0 | C25 H23 N5 O3 | InChI=1S/C25H23N5O3/c1-17 -6-9-20(10-7-17)25(32)26- 15-22-16-30(29-27-22)23(1 4-24(31)28-33)13-18-8-11- 19-4-2-3-5-21(19)12-18/h2 -12,16,23H,13-15H2,1H3,(H ,26,32)/t23-/m0/s1; BKDSTKVFPHOHHU-QHCPKHFHSA-N |
O=C(N=O)CC(n1nnc(c1)CNC(=O)c2ccc(cc2)C)C c4cc3ccccc3cc4; Cc1ccc(cc1)C(=O)NCc2cn(n n2)[CH](CC(=O)N=O)Cc3ccc4ccccc4c3; Cc1cc c(cc1)C(=O)NCc2cn(nn2)[C@H](CC(=O)N=O)Cc 3ccc4ccccc4c3; Cc1ccc(cc1)C(=O)NCc2cn(nn 2)C(Cc3ccc4ccccc4c3)CC(=O)N=O; Cc1ccc(cc 1)C(=O)NCc2cn(nn2)[C@@H](Cc3ccc4ccccc4c3 )CC(=O)N=O |
4-methyl-N-({1-[(2S)-1-(naphthalen-2-yl)-4-nitroso-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide |
| 35724 |  OBE ZINC000006481301 |
2 | C16 H19 N O5 | InChI=1S/C16H19NO5/c1-17- 10-5-6-12(17)14(15(19)20) 13(8-10)22-16(21)9-3-2-4- 11(18)7-9/h2-4,7,10,12-14 ,18H,5-6,8H2,1H3,(H,19,20 )/t10-,12+,13-,14+/m0/s1; XCJJCRPRQYXLRE-AHLTXXRQSA-N |
C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC (=O)c3cccc(c3)O)C(=O)[O-]; C[NH+]1[CH]2C C[CH]1[CH]([CH](C2)OC(=O)c3cccc(O)c3)C([ O-])=O; C[NH+]1C2CCC1C(C(C2)OC(=O)c3cccc (c3)O)C(=O)[O-]; [O-]C(=O)C3C1[NH+](C)C( CC1)CC3OC(=O)c2cccc(O)c2; C[NH+]1[C@H]2C C[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(O)c3 )C([O-])=O |
3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID; META-OXYBENZOYLECGONINE |
| 35725 |  OBF ZINC000037756049 |
0 | C4 H7 F2 N O2 | InChI=1S/C4H7F2NO2/c5-3(6 )1-2(7)4(8)9/h2-3H,1,7H2, (H,8,9)/t2-/m0/s1; VIUCNIMDPZQXAD-REOHCLBHSA-N |
C([C@@H](C(=O)O)N)C(F)F; FC(F)CC(N)C(=O) O; N[C@@H](CC(F)F)C(O)=O; C(C(C(=O)O)N)C (F)F; N[CH](CC(F)F)C(O)=O |
(2S)-2-amino-4,4-difluorobutanoic acid |
| 35726 |  OBG CHEMBL407874 DB11919 ZINC000005425464 |
1 | C12 H11 N5 O | InChI=1S/C12H11N5O/c13-12 -16-10-9(14-7-15-10)11(17 -12)18-6-8-4-2-1-3-5-8/h1 -5,7H,6H2,(H3,13,14,15,16 ,17); KRWMERLEINMZFT-UHFFFAOYSA-N |
Nc1nc2[nH]cnc2c(OCc3ccccc3)n1; c1ccc(cc1 )COc2c3c([nH]cn3)nc(n2)N |
6-(benzyloxy)-9H-purin-2-amine; o6-benzylguanine |
| 35727 |  OBH ZINC000263620265 |
4 | C24 H22 O6 S | InChI=1S/C24H22O6S/c25-17 -10-6-15(7-11-17)22-20-14 -21(31(27,28)30-19-4-2-1- 3-5-19)24(29-20)23(22)16- 8-12-18(26)13-9-16/h2-13, 19-21,24-26H,1,14H2/t20-, 21+,24+/m0/s1; BDNHEHZCMDJALX-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O) (=O)OC4C=CCC=C4)c5ccc(O)cc5; c1cc(ccc1C2 =C(C3C(CC2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc( cc5)O)O; c1cc(ccc1C2=C([C@H]3[C@@H](C[C@ @H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O) O; c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S (=O)(=O)OC5C=CCC=C5; Oc1ccc(cc1)C2=C([C@ @H]3O[C@H]2C[C@H]3[S](=O)(=O)OC4C=CCC=C4 )c5ccc(O)cc5 |
cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 35728 |  OBI CHEMBL451635 DB13750 ZINC000011681703 |
2 | C14 H16 N4 O3 | InChI=1S/C14H14N4O3/c19-1 5-9-13-1-5-17(6-2-13)11-2 1-12-18-7-3-14(4-8-18)10- 16-20/h1-10H,11-12H2/p+2; HIGRLDNHDGYWQJ-UHFFFAOYSA-P |
c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO; c 1c[n+](ccc1\C=N\O)COC[n+]2ccc(cc2)\C=N\O ; ON=Cc1cc[n+](COC[n+]2ccc(cc2)C=NO)cc1; O\N=C\c1cc[n+](COC[n+]2ccc(cc2)\C=N\O)c c1; O\N=C\c1cc[n+](cc1)COC[n+]2ccc(\C=N\ O)cc2 |
1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME |
| 35729 |  OBJ |
1 | C10 H11 Cl2 N O2 S | InChI=1S/C10H11Cl2NO2S/c1 1-8-2-1-7(5-9(8)12)15-6-1 0(14)13-3-4-16/h1-2,5,16H ,3-4,6H2,(H,13,14); DCPNTZSINCTHRC-UHFFFAOYSA-N |
SCCNC(=O)COc1ccc(Cl)c(Cl)c1; C(CNC(=O)CO c1cc(c(cc1)Cl)Cl)S; c1cc(c(cc1OCC(=O)NCC S)Cl)Cl |
2-(3,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide |
| 35730 |  OBK ZINC000004716421 |
6 | C9 H16 O4 | InChI=1S/C9H16O4/c1-2-13- 9(12)7-5-3-4-6-8(10)11/h2 -7H2,1H3,(H,10,11); NQYXFXWKKYGBNL-UHFFFAOYSA-N |
CCOC(=O)CCCCCC(=O)O; CCOC(=O)CCCCCC(O)=O | 7-ethoxy-7-oxidanylidene-heptanoic acid; pimelic acid monoethyl ester |
| 35731 |  OBL |
4 | C60 H85 Co N13 O15 P | InChI=1S/C60H86N13O15P.Co /c1-29-48-33(12-16-42(62) 76)56(3,4)40(70-48)24-36- 32(11-15-41(61)75)58(6,25 -45(65)79)53(69-36)30(2)4 9-34(13-17-43(63)77)59(7, 26-46(66)80)60(8,72-49)54 -35(23-44(64)78)57(5,52(2 9)71-54)19-18-47(81)67-20 -21-86-89(83,84)88-51-39( 27-74)87-55(50(51)82)73-2 8-68-37-22-31(85-9)10-14- 38(37)73;/h10,14,22,24,28 ,32-35,39,50-51,54-55,74, 82H,11-13,15-21,23,25-27H 2,1-9H3,(H15,61,62,63,64, 65,66,67,69,70,71,72,75,7 6,77,78,79,80,81,83,84);/ q;+4/p-1/t32-,33-,34-,35+ ,39-,50-,51-,54-,55+,57-, 58+,59+,60+;/m1./s1; JRWPLQQCQBEBIM-VOTWPXDDSA-M |
COc1ccc2n(cnc2c1)[C@H]3O[C@H](CO)[C@@H]( O[P](O)(=O)OCCNC(=O)CC[C@]4(C)[C@@H](CC( N)=O)[C@H]5[N@@+]6=C4C(=C7[C@@H](CCC(N)= O)C(C)(C)C8=[N@+]7[Co]69[N@@]%10C(=C(C)C %11=[N@+]9C(=C8)[C@@H](CCC(N)=O)[C@]%11( C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC(N)= O)[C@]5%10C)C)[C@H]3O; CC1=C2C(C(C3(N2[C o]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1C(C 8CCC(=O)N)(C)CC(=O)N)C(C7CCC(=O)N)(C)C)C )C(C(C36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O C9C(OC(C9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC( =O)N)CCC(=O)N; CC1=C2[C@H]([C@]([C@]3(N2 [Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[ C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H] 7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(= O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H]( O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C) (C)CC(=O)N)CCC(=O)N; COc1ccc2n(cnc2c1)[C H]3O[CH](CO)[CH](O[P](O)(=O)OCCNC(=O)CC[ C]4(C)[CH](CC(N)=O)[CH]5[N+]6=C4C(=C7[CH ](CCC(N)=O)C(C)(C)C8=[N+]7[Co]69[N]%10C( =C(C)C%11=[N+]9C(=C8)[CH](CCC(N)=O)[C]%1 1(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O )[C]5%10C)C)[CH]3O |
5-Methoxybenzimidazolyl-norcobamide |
| 35732 |  OBM ZINC000584905632 |
2 | C24 H19 Br O6 S | InChI=1S/C24H19BrO6S/c25- 16-5-11-19(12-6-16)31-32( 28,29)21-13-20-22(14-1-7- 17(26)8-2-14)23(24(21)30- 20)15-3-9-18(27)10-4-15/h 1-12,20-21,24,26-27H,13H2 /t20-,21+,24+/m0/s1; CUIVJALDVYFMBH-YZUZCNPQSA-N |
c1(ccc(cc1)C2=C(C3C(CC2O3)S(Oc4ccc(cc4)B r)(=O)=O)c5ccc(cc5)O)O; c1cc(ccc1C2=C([C @H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc 4)Br)c5ccc(cc5)O)O; Oc1ccc(cc1)C2=C([CH] 3O[CH]2C[CH]3[S](=O)(=O)Oc4ccc(Br)cc4)c5 ccc(O)cc5; Oc1ccc(cc1)C2=C([C@@H]3O[C@H] 2C[C@H]3[S](=O)(=O)Oc4ccc(Br)cc4)c5ccc(O )cc5; c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)O c4ccc(cc4)Br)c5ccc(cc5)O)O |
4-bromophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 35733 |  OBN CHEMBL222863 DB01092 ZINC000008143614 |
15 | C29 H44 O12 | InChI=1S/C29H44O12/c1-13- 22(34)23(35)24(36)25(40-1 3)41-15-8-19(32)28(12-30) 21-17(3-5-27(28,37)9-15)2 9(38)6-4-16(14-7-20(33)39 -11-14)26(29,2)10-18(21)3 1/h7,13,15-19,21-25,30-32 ,34-38H,3-6,8-12H2,1-2H3/ t13-,15-,16+,17+,18+,19+, 21+,22-,23+,24+,25-,26+,2 7-,28+,29-/m0/s1; LPMXVESGRSUGHW-HBYQJFLCSA-N |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@ H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3( C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6= CC(=O)OC6)O)CO)O)O)O)O; O=C1OCC(=C1)C4CC C5(O)C3CCC6(O)CC(OC2OC(C(O)C(O)C2O)C)CC( O)C6(CO)C3C(O)CC45C; C[C@@H]1O[C@@H](O[C @H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C @]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C 2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O; CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5( CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O; C[CH]1O[CH](O[CH]2C[CH](O)[C]3(CO)[CH]4 [CH](O)C[C]5(C)[CH](CC[C]5(O)[CH]4CC[C]3 (O)C2)C6=CC(=O)OC6)[CH](O)[CH](O)[CH]1O |
OUABAIN |
| 35734 |  OBO |
1 | C14 H11 Cl N4 O | InChI=1S/C14H11ClN4O/c15- 10-3-1-2-9(4-10)5-13(20)1 9-12-7-16-6-11-14(12)18-8 -17-11/h1-4,6-8H,5H2,(H,1 7,18)(H,19,20); NXBRVTFHRPPFLN-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2[nH]cn3; C lc1cccc(CC(=O)Nc2cncc3nc[nH]c23)c1; Clc1 cccc(c1)CC(=O)Nc1cncc2nc[NH]c12 |
2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide |
| 35735 |  OBP DB08319 |
2 | C12 H10 O3 S | InChI=1S/C12H10O3S/c13-11 -7-3-1-5-9(11)10-6-2-4-8- 12(10)16(14)15/h1-8,13H,( H,14,15); HPKSNFTYZHYEKV-UHFFFAOYSA-N |
c1ccc(c(c1)c2ccccc2[S@@](=O)O)O; Oc1cccc c1c2ccccc2[S](O)=O; c1ccc(c(c1)c2ccccc2S (=O)O)O; O=S(O)c2c(c1ccccc1O)cccc2 |
2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID; 2'-HYDROXYBIPHENYL-2-SULFINIC ACID |
| 35736 |  OBQ CHEMBL376130 ZINC000013675153 |
2 | C21 H22 N2 O6 | InChI=1S/C21H22N2O6/c1-23 -7-6-10-8-13-19(28-9-27-1 3)20(26-3)14(10)17(23)18- 11-4-5-12(25-2)16(22)15(1 1)21(24)29-18/h4-5,8,17-1 8H,6-7,9,22H2,1-3H3/t17-, 18+/m1/s1; WPUKOXIOPURGHT-MSOLQXFVSA-N |
COc1ccc2[CH](OC(=O)c2c1N)[CH]3N(C)CCc4cc 5OCOc5c(OC)c34; CN1CCc2cc3c(c(c2[C@@H]1[ C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3; CO c1ccc2[C@H](OC(=O)c2c1N)[C@@H]3N(C)CCc4c c5OCOc5c(OC)c34; CN1CCc2cc3c(c(c2C1C4c5c cc(c(c5C(=O)O4)N)OC)OC)OCO3 |
(3~{S})-7-azanyl-6-methoxy-3-[(5~{R})-4-methoxy-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3~{H}-2-benzofuran-1-one |
| 35737 |  OBR ZINC000199130622 |
2 | C13 H11 F5 N4 S | InChI=1S/C13H11F5N4S/c1-9 -8-12(22-7-6-19-13(22)20- 9)21-10-2-4-11(5-3-10)23( 14,15,16,17)18/h2-8,21H,1 H3; WQQKDMYAYLYJLV-UHFFFAOYSA-N |
FS(F)(F)(F)(F)c1ccc(cc1)Nc1cc(C)nc2nccn1 2; Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3c cnc3n1; Cc1cc(n2ccnc2n1)Nc3ccc(cc3)S(F)( F)(F)(F)F |
(4R)-7-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine |
| 35738 |  OBS |
0 | C16 H26 N2 O7 S | InChI=1S/C16H26N2O7S/c17- 12(16(23)24)3-1-2-6-18-13 -9-26(25)8-10(4-5-14(19)2 0)11(13)7-15(21)22/h10-12 H,1-9,17H2,(H,19,20)(H,21 ,22)(H,23,24)/b18-13-/t10 -,11-,12+,26+/m1/s1; OXEYOJPDXMYXIZ-KYPNPPHMSA-N |
C1C(C(C(=NCCCCC(C(=O)O)N)CS1=O)CC(=O)O)C CC(=O)O; O=S1C/C(=N/CCCCC(C(=O)O)N)C(C(C CC(=O)O)C1)CC(=O)O; C1[C@H]([C@H](/C(=N\ CCCC[C@@H](C(=O)O)N)/C[S@]1=O)CC(=O)O)CC C(=O)O; N[CH](CCCCN=C1C[S](=O)C[CH](CCC( O)=O)[CH]1CC(O)=O)C(O)=O; N[C@@H](CCCCN= C1C[S@@](=O)C[C@@H](CCC(O)=O)[C@H]1CC(O) =O)C(O)=O |
(Z)-N^6-[(4S,5R)-5-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-1-HYDROXYDIHYDRO-2H-THIOPYRANIUM-3(4H)-YLIDENE]-L-LYSINE; 2-AMINO-6-[5-(2-CARBOXY-ETHYL)-4-CARBOXYMETHYL-1-OXO-TETRAHYDRO-1LAMBDA4-THIOPYRAN-3-YLIDENEAMINO]-HEXANOIC ACID |
| 35739 |  OBT ZINC000217108206 |
6 | C26 H21 Cl F3 N O5 S | InChI=1S/C26H21ClF3NO5S/c 27-17-5-7-18(8-6-17)31(14 -26(28,29)30)37(34,35)22- 13-21-23(15-1-9-19(32)10- 2-15)24(25(22)36-21)16-3- 11-20(33)12-4-16/h1-12,21 -22,25,32-33H,13-14H2/t21 -,22+,25+/m0/s1; IMJVXTIQVJFSBH-SGIRGMQISA-N |
c1c(O)ccc(c1)C3=C(c2ccc(cc2)O)C4CC(C3O4) S(N(CC(F)(F)F)c5ccc(cc5)Cl)(=O)=O; Oc1cc c(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)N (CC(F)(F)F)c4ccc(Cl)cc4)c5ccc(O)cc5; Oc1 ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S](=O )(=O)N(CC(F)(F)F)c4ccc(Cl)cc4)c5ccc(O)cc 5; c1cc(ccc1C2=C(C3C(CC2O3)S(=O)(=O)N(CC (F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O; c1cc (ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)( =O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O) O |
(1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide |
| 35740 |  OBV |
4 | C40 H44 Fe N4 O12 | InChI=1S/C40H46N4O12.Fe/c 1-19-21(5-9-33(45)46)27-1 4-28-22(6-10-34(47)48)20( 2)26(42-28)15-31-40(4,18- 38(55)56)24(8-12-36(51)52 )30(44-31)16-32-39(3,17-3 7(53)54)23(7-11-35(49)50) 29(43-32)13-25(19)41-27;/ h13-16,23-24H,5-12,17-18H 2,1-4H3,(H8,41,42,43,44,4 5,46,47,48,49,50,51,52,53 ,54,55,56);/q;+4/p-2/t23- ,24-,39-,40-;/m0./s1; IWKGTOOPBQHBLV-XOLYYWOLSA-L |
Cc1c2cc3[n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC (=O)O)n2[Fe]648)C(=C7C)CCC(=O)O)C(C5CCC( =O)O)(C)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O; Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe] 56N7C(=CC8=[N+]5C(=Cc1n26)[CH](CCC(O)=O) [C]8(C)CC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O )=O)C7=C4)CCC(O)=O; O=C(O)CCC=1C=6[N+]3= C(C=1C)C=C8N5C(=CC7=[N+]4C(=Cc2c(c(c(n2[ Fe]345)C=6)CCC(=O)O)C)C(CCC(=O)O)C7(C)CC (=O)O)C(CCC(=O)O)C8(C)CC(=O)O; Cc1c2cc3[ n+]4c(cc5n6c(cc7[n+]8c(cc(c1CCC(=O)O)n2[ Fe]648)C(=C7C)CCC(=O)O)[C@@]([C@H]5CCC(= O)O)(C)CC(=O)O)[C@@]([C@H]3CCC(=O)O)(C)C C(=O)O; Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N +]3[Fe]56N7C(=CC8=[N+]5C(=Cc1n26)[C@H](C CC(O)=O)[C@]8(C)CC(O)=O)[C@H](CCC(O)=O)[ C@](C)(CC(O)=O)C7=C4)CCC(O)=O |
12,18-DIDECARBOXY-SIROHEME |
| 35741 |  OBW CHEMBL4752776 |
1 | C16 H10 N2 O2 S3 | InChI=1S/C16H10N2O2S3/c19 -14(20)7-21-16-15-10(17-8 -18-16)6-13(23-15)12-5-9- 3-1-2-4-11(9)22-12/h1-6,8 H,7H2,(H,19,20); BNYXRPMABDQJJR-UHFFFAOYSA-N |
OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3; c1 ccc2c(c1)cc(s2)c3cc4c(s3)c(ncn4)SCC(=O)O |
2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| 35742 |  OBX |
0 | C14 H27 N7 O7 P | InChI=1S/C14H26N7O7P/c15- 9-3-6-21(14(20-9)19-5-2-1 -4-18-13(16)17)12-11(23)1 0(22)8(28-12)7-27-29(24,2 5)26/h3,6,8,10-12,22-23H, 1-2,4-5,7H2,(H8,15,16,17, 18,19,20,24,25,26)/p+1/t8 -,10-,11-,12-/m1/s1; IIGUQJFGJGKMTR-HJQYOEGKSA-O |
NC(=N)NCCCCNc1nc(N)cc[n+]1[CH]2O[CH](CO[ P](O)(O)=O)[CH](O)[CH]2O; c1c[n+](c(nc1N )NCCCCNC(=N)N)C2C(C(C(O2)COP(=O)(O)O)O)O ; NC(=N)NCCCCNc1nc(N)cc[n+]1[C@@H]2O[C@H ](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; [H]/N= C(\N)/NCCCCNc1nc(cc[n+]1[C@H]2[C@@H]([C@ @H]([C@H](O2)COP(=O)(O)O)O)O)N |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-2-(4-carbamimidamidobutylamino)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; agmatidine |
| 35743 |  OBY |
1 | C18 H16 N2 O2 S2 | InChI=1S/C18H16N2O2S2/c1- 10(21)19-17-9-13-12(3-2-4 -14(13)24-17)15-7-8-16(23 -15)18(22)20-11-5-6-11/h2 -4,7-9,11H,5-6H2,1H3,(H,1 9,21)(H,20,22); VAHDZEQDAMISFZ-UHFFFAOYSA-N |
N(C1CC1)C(=O)c2ccc(s2)c3cccc4sc(cc34)NC( C)=O; CC(=O)Nc1sc2cccc(c3sc(cc3)C(=O)NC4 CC4)c2c1; CC(=O)Nc1cc2c(cccc2s1)c3ccc(s3 )C(=O)NC4CC4 |
5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide |
| 35744 |  OBZ CHEMBL443652 ZINC000000155377 |
9 | C7 H9 N O | InChI=1S/C7H9NO/c8-9-6-7- 4-2-1-3-5-7/h1-5H,6,8H2; XYEOALKITRFCJJ-UHFFFAOYSA-N |
c1ccc(cc1)CON; NOCc1ccccc1; [(aminooxy)m ethyl]benzene |
O-benzylhydroxylamine |
| 35745 |  OC0 |
1 | C9 H13 B N7 O6 S2 | InChI=1S/C9H13BN7O6S2/c11 -8-14-15-9(25-8)24-3-6(18 )12-5(10(21,22)23)2-17-1- 4(7(19)20)13-16-17/h1,5,2 1-23H,2-3H2,(H2,11,14)(H, 12,18)(H,19,20)/q-1/t5-/m 0/s1; QYCRGDXARHKIHF-YFKPBYRVSA-N |
[B-]([C@H](Cn1cc(nn1)C(=O)O)NC(=O)CSc2nn c(s2)N)(O)(O)O; O=C(CSc1nnc(N)s1)NC(Cn1c c(nn1)C(=O)O)[B-](O)(O)O; [B-](C(Cn1cc(n n1)C(=O)O)NC(=O)CSc2nnc(s2)N)(O)(O)O; Nc 1sc(SCC(=O)N[CH](Cn2cc(nn2)C(O)=O)[B-](O )(O)O)nn1; Nc1sc(SCC(=O)N[C@@H](Cn2cc(nn 2)C(O)=O)[B-](O)(O)O)nn1 |
[(1~{R})-1-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-2-(4-carboxy-1,2,3-triazol-1-yl)ethyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron |
| 35746 |  OC1 |
0 | Ca H2 O | InChI=1/Ca.H2O/h;1H2/q+2; /rCaH2O/c1-2/h2H2/q+2; ZLYHCTAZFNBBLQ-YKZZLKGYAU |
O|[Ca++]; [OH2][Ca+2] | CALCIUM ION, 1 WATER COORDINATED |
| 35747 |  OC2 |
0 | Ca H4 O2 | InChI=1/Ca.2H2O/h;2*1H2/q +2;;/rCaH4O2/c2-1-3/h2-3H 2/q+2; AXCZMVOFGPJBDE-ZCENPISFAZ |
[OH2][Ca+2][OH2]; O|[Ca++]|O | CALCIUM ION, 2 WATERS COORDINATED |
| 35748 |  OC3 |
0 | Ca H6 O3 | InChI=1/Ca.3H2O/h;3*1H2/q +2;;;/rCaH6O3/c2-1(3)4/h2 -4H2/q+2; CQVAWTWGTHPABZ-QKWZHWDEAH |
O|[Ca++](|O)|O; [OH2][Ca+2]([OH2])[OH2] | CALCIUM ION, 3 WATERS COORDINATED |
| 35749 |  OC4 |
0 | Ca H8 O4 | InChI=1/Ca.4H2O/h;4*1H2/q +2;;;;/rCaH8O4/c2-1(3,4)5 /h2-5H2/q+2; JREMHFSNYKJOBO-MRWHTQGUAJ |
[OH2][Ca+2]([OH2])([OH2])[OH2]; O|[Ca++] (|O)(|O)|O |
CALCIUM ION, 4 WATERS COORDINATED |
| 35750 |  OC5 |
0 | Ca H10 O5 | InChI=1/Ca.5H2O/h;5*1H2/q +2;;;;;/rCaH10O5/c2-1(3,4 ,5)6/h2-6H2/q+2; SDTOZUFEVIWYDZ-TXNURSLKAL |
O|[Ca++](|O)(|O)(|O)|O; [OH2][Ca+2]([OH2 ])([OH2])([OH2])[OH2] |
CALCIUM ION, 5 WATERS COORDINATED |
| 35751 |  OC6 |
0 | Ca H12 O6 | InChI=1/Ca.6H2O/h;6*1H2/q +2;;;;;;/rCaH12O6/c2-1(3, 4,5,6)7/h2-7H2/q+2; GXTAVUFVWOVBHJ-MFBRWFRNAS |
O|[Ca++](|O)(|O)(|O)(|O)|O; [OH2][Ca+2]( [OH2])([OH2])([OH2])([OH2])[OH2] |
CALCIUM ION, 6 WATERS COORDINATED |
| 35752 |  OC7 |
0 | Ca H14 O7 | InChI=1/Ca.7H2O/h;7*1H2/q +2;;;;;;;/rCaH14O7/c2-1(3 ,4,5,6,7)8/h2-8H2/q+2; IKNIPDOCBAOMNN-QXAJHBKCAV |
[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])( [OH2])[OH2]; O|[Ca++](|O)(|O)(|O)(|O)(|O )|O |
CALCIUM ION, 7 WATERS COORDINATED |
| 35753 |  OC8 |
0 | Ca H16 O8 | InChI=1/Ca.8H2O/h;8*1H2/q +2;;;;;;;;/rCaH16O8/c2-1( 3,4,5,6,7,8)9/h2-9H2/q+2; ANOVGYXSEQQEKP-DJECICIMAH |
[OH2][Ca+2]([OH2])([OH2])([OH2])([OH2])( [OH2])([OH2])[OH2]; O|[Ca++](|O)(|O)(|O) (|O)(|O)(|O)|O |
CALCIUM ION, 8 WATERS COORDINATED |
| 35754 |  OC9 CHEMBL26215 DB12452 ZINC000001532735 |
13 | C8 H18 O | InChI=1S/C8H18O/c1-2-3-4- 5-6-7-8-9/h9H,2-8H2,1H3; KBPLFHHGFOOTCA-UHFFFAOYSA-N |
CCCCCCCCO; OCCCCCCCC | OCTAN-1-OL |
| 35755 |  OCA CHEMBL324846 DB04519 ZINC000001530416 |
119 | C8 H16 O2 | InChI=1S/C8H16O2/c1-2-3-4 -5-6-7-8(9)10/h2-7H2,1H3, (H,9,10); WWZKQHOCKIZLMA-UHFFFAOYSA-N |
O=C(O)CCCCCCC; CCCCCCCC(=O)O; CCCCCCCC(O )=O |
OCTANOIC ACID (CAPRYLIC ACID) |
| 35756 |  OCB CHEMBL1234930 DB03832 ZINC000002572325 |
1 | C15 H30 N O4 | InChI=1S/C15H29NO4/c1-5-6 -7-8-9-10-15(19)20-13(11- 14(17)18)12-16(2,3)4/h13H ,5-12H2,1-4H3/p+1/t13-/m1 /s1; CXTATJFJDMJMIY-CYBMUJFWSA-O |
CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C; CCCCCCCC(=O)O[CH](CC(O)=O)C[N+](C)(C)C; O=C(O)CC(OC(=O)CCCCCCC)C[N+](C)(C)C; CC CCCCCC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C; C CCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C |
OCTANOYLCARNITINE; 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY)PROPAN-1-AMINIUM |
| 35757 |  OCC CHEMBL385658 ZINC000044053436 |
1 | C30 H50 O5 | InChI=1S/C30H50O5/c1-20(9 -6-15-29(3,4)34)24-13-14- 25-22(10-7-16-30(24,25)5) 11-12-23-19-26(32)28(27(3 3)21(23)2)35-18-8-17-31/h 11-12,20,24-28,31-34H,2,6 -10,13-19H2,1,3-5H3/b22-1 1+,23-12-/t20-,24-,25+,26 -,27-,28+,30-/m1/s1; FZEXGDDBXLBRTD-VCBASKJSSA-N |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@] 1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3 =C)O)OCCCO)O)C; CC(CCCC(C)(C)O)C1CCC2C1( CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C; C[C@ H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]1 2C)=C\C=C/3C[C@@H](O)[C@H](OCCCO)[C@H](O )C/3=C; O(CCCO)C3C(O)C(\C(=C/C=C1\CCCC2( C)C(C(C)CCCC(O)(C)C)CCC12)CC3O)=C; C[CH] (CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC =C3C[CH](O)[CH](OCCCO)[CH](O)C3=C |
2ALPHA-(3-HYDROXYPROPOXY)-1ALPHA,25-DIHYDROXYVITAMIN D3; 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPOXY)-,(1A,2A,3B,5Z,7E) |
| 35758 |  OCD ZINC000008217412 |
4 | C18 H36 O | InChI=1S/C18H36O/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16-17-18-19/h18H,2-17 H2,1H3; FWWQKRXKHIRPJY-UHFFFAOYSA-N |
C(CCCCCCCCCCCCCCCCC)=O; CCCCCCCCCCCCCCCC CC=O |
octadecanal |
| 35759 |  OCE CHEMBL1162491 ZINC000001531046 |
0 | C8 H14 O4 | InChI=1S/C8H14O4/c9-7(10) 5-3-1-2-4-6-8(11)12/h1-6H 2,(H,9,10)(H,11,12); TYFQFVWCELRYAO-UHFFFAOYSA-N |
OC(=O)CCCCCCC(O)=O; O=C(O)CCCCCCC(=O)O; C(CCCC(=O)O)CCC(=O)O |
octanedioic acid |
| 35760 |  OCF |
9 | C11 H15 N2 O8 P | InChI=1S/C11H15N2O8P/c1-7 -11(16)9(5-13-20-3-2-10(1 4)15)8(4-12-7)6-21-22(17, 18)19/h4-5,16H,2-3,6H2,1H 3,(H,14,15)(H2,17,18,19)/ b13-5+; WFKOVQOIGDESOJ-WLRTZDKTSA-N |
Cc1ncc(CO[P](O)(O)=O)c(\C=N\OCCC(O)=O)c1 O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCCC(=O )O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(= O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O) =O)c1O |
3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid; PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid |
| 35761 |  OCG CHEMBL1234931 ZINC000058638822 |
1 | C21 H18 N6 O3 | InChI=1S/C21H18N6O3/c1-13 -7-8-14(20(28)25-18-9-10- 30-26-18)11-17(13)24-21(2 9)16-12-23-27(19(16)22)15 -5-3-2-4-6-15/h2-12H,22H2 ,1H3,(H,24,29)(H,25,26,28 ); DMYYPSLMFSEFCK-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O) Nc4ccon4; O=C(c3ccc(c(NC(=O)c1c(N)n(nc1) c2ccccc2)c3)C)Nc4nocc4 |
5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide |
| 35762 |  OCH CHEMBL186422 DB04745 ZINC000008579298 |
12 | C9 H7 N O | InChI=1S/C9H7NO/c11-9-6-5 -7-3-1-2-4-8(7)10-9/h1-6H ,(H,10,11); LISFMEBWQUVKPJ-UHFFFAOYSA-N |
c1ccc2c(c1)C=CC(=O)N2; O=C1Nc2ccccc2C=C1 ; O=C2C=Cc1c(cccc1)N2 |
QUINOLIN-2(1H)-ONE; 2-OXOQUINOLINE |
| 35763 |  OCI |
1 | C14 H15 Cl N4 O3 S | InChI=1S/C14H15ClN4O3S/c1 -9-2-3-17-8-13(9)18-14(20 )6-10-4-11(15)7-12(5-10)1 9-23(16,21)22/h2-5,7-8,19 H,6H2,1H3,(H,18,20)(H2,16 ,21,22); NLTIJDKXVUTASZ-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[S](N)(=O)=O )c2; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NS(=O )(=O)N; O=C(Nc1cnccc1C)Cc1cc(NS(N)(=O)=O )cc(Cl)c1 |
2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 35764 |  OCJ CHEMBL5191496 |
5 | C21 H17 N3 O2 S2 | InChI=1S/C21H17N3O2S2/c22 -13-4-1-3-12(9-13)11-24-2 1(26)18-8-7-17(27-18)14-5 -2-6-16-15(14)10-19(28-16 )20(23)25/h1-10H,11,22H2, (H2,23,25)(H,24,26); SDZHQRUPXPKDOD-UHFFFAOYSA-N |
N(Cc1cccc(c1)N)C(=O)c2sc(cc2)c3cccc4c3cc (s4)C(N)=O; c1cc(cc(c1)N)CNC(=O)c2ccc(s2 )c3cccc4c3cc(s4)C(=O)N; NC(=O)c1sc2cccc( c3sc(cc3)C(=O)NCc4cccc(N)c4)c2c1 |
4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide |
| 35765 |  OCK |
1 | C15 H20 N2 O2 | InChI=1S/C15H20N2O2/c1-4- 10-15(3)14(19)16-12-9-7-6 -8-11(12)13(18)17(15)5-2/ h6-9H,4-5,10H2,1-3H3,(H,1 6,19)/t15-/m1/s1; QTYBGLRTPWRNRA-OAHLLOKOSA-N |
CCCC1(C(=O)Nc2ccccc2C(=O)N1CC)C; CCC[C]1 (C)N(CC)C(=O)c2ccccc2NC1=O; CCC[C@@]1(C( =O)Nc2ccccc2C(=O)N1CC)C; CCC[C@@]1(C)N(C C)C(=O)c2ccccc2NC1=O |
(3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
| 35766 |  OCL |
0 | Co H2 O | InChI=1/Co.H2O/h;1H2/q+2; /rCoH2O/c1-2/h2H2/q+2; GXAPHLHAAXQSRR-NIAGCICNAT |
[OH2][Co+2]; O|[Co++] | COBALT ION, 1 WATER COORDINATED |
| 35767 |  OCM |
0 | Co H6 O3 | InChI=1/Co.3H2O/h;3*1H2/q +2;;;/rCoH6O3/c2-1(3)4/h2 -4H2/q+2; VWGMCGRTCLVGQL-KFMNIWJQAS |
O|[Co++](|O)|O; [OH2][Co+2]([OH2])[OH2] | COBALT ION, 3 WATERS COORDINATED |
| 35768 |  OCN |
0 | Co H4 O2 | InChI=1/Co.2H2O/h;2*1H2/q +2;;/rCoH4O2/c2-1-3/h2-3H 2/q+2; ASKVAEGIVYSGNY-MHFWSPLWAM |
O|[Co++]|O; [OH2][Co+2][OH2] | COBALT ION, 2 WATERS COORDINATED |
| 35769 |  OCO |
0 | Co H12 O6 | InChI=1/Co.6H2O/h;6*1H2/q +3;;;;;;/rCoH12O6/c2-1(3, 4,5,6)7/h2-7H2/q+3; SZVWFEVRDOMFNX-PWSSTMCRAL |
[OH2][Co+3]([OH2])([OH2])([OH2])([OH2])[ OH2]; O|[Co+3](|O)(|O)(|O)(|O)|O |
COBALT ION,6 WATERS COORDINATED |
| 35770 |  OCP ZINC000058632555 |
2 | C29 H59 N2 O7 P | InChI=1S/C29H59N2O7P/c1-4 -7-10-13-16-19-22-30-28(3 2)36-25-27(38-29(33)31-23 -20-17-14-11-8-5-2)26-37- 39(34,35)24-21-18-15-12-9 -6-3/h27H,4-26H2,1-3H3,(H ,30,32)(H,31,33)(H,34,35) /t27-/m1/s1; QRWKUAOYWKHOGP-HHHXNRCGSA-N |
CCCCCCCCNC(=O)OC[C@H](CO[P@](O)(=O)CCCCC CCC)OC(=O)NCCCCCCCC; O=P(O)(OCC(OC(=O)NC CCCCCCC)COC(=O)NCCCCCCCC)CCCCCCCC; CCCCC CCCNC(=O)OC[C@H](CO[P@](=O)(CCCCCCCC)O)O C(=O)NCCCCCCCC; CCCCCCCCNC(=O)OC[CH](CO[ P](O)(=O)CCCCCCCC)OC(=O)NCCCCCCCC; CCCCC CCCNC(=O)OCC(COP(=O)(CCCCCCCC)O)OC(=O)NC CCCCCCC |
OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER |
| 35771 |  OCQ ZINC000064624497 |
0 | C8 H14 N2 O3 | InChI=1S/C8H14N2O3/c9-6(7 (12)4-11)3-5-1-2-10-8(5)1 3/h5-6,11H,1-4,9H2,(H,10, 13)/t5-,6-/m0/s1; IZFXLIWWJCODDL-WDSKDSINSA-N |
C1CNC(=O)C1CC(C(=O)CO)N; N[CH](C[CH]1CCN C1=O)C(=O)CO; O=C1NCCC1CC(N)C(=O)CO; C1C NC(=O)[C@@H]1C[C@@H](C(=O)CO)N; N[C@@H]( C[C@@H]1CCNC1=O)C(=O)CO |
(3S)-3-[(2S)-2-AMINO-4-HYDROXY-3-OXOBUTYL]PYRROLIDIN-2-ONE |
| 35772 |  OCR ZINC000039031959 |
4 | C20 H30 O3 | InChI=1S/C20H30O3/c1-2-3- 13-16-19(21)17-14-11-9-7- 5-4-6-8-10-12-15-18-20(22 )23/h4-5,8-11,14,17H,2-3, 6-7,12-13,15-16,18H2,1H3, (H,22,23)/b5-4+,10-8+,11- 9-,17-14+; YGJTUEISKATQSM-KIFLIQHDSA-N |
CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O; CCCCC C(=O)C=CC=CCC=CCC=CCCCC(O)=O; CCCCCC(=O) \C=C\C=C/C\C=C\C\C=C\CCCC(=O)O; O=C(\C=C \C=C/C/C=C/C/C=C/CCCC(=O)O)CCCCC; CCCCCC (=O)\C=C\C=C/C/C=C/C/C=C/CCCC(O)=O |
(5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid; 15-oxo-eicosatetraenoic acid |
| 35773 |  OCS DB03661 ZINC000004228276 |
4 | C3 H7 N O5 S | InChI=1S/C3H7NO5S/c4-2(3( 5)6)1-10(7,8)9/h2H,1,4H2, (H,5,6)(H,7,8,9)/t2-/m0/s 1; XVOYSCVBGLVSOL-REOHCLBHSA-N |
C([C@@H](C(=O)O)N)S(=O)(=O)O; N[CH](C[S] (O)(=O)=O)C(O)=O; O=S(=O)(O)CC(C(=O)O)N; N[C@@H](C[S](O)(=O)=O)C(O)=O; C(C(C(=O) O)N)S(=O)(=O)O |
CYSTEINESULFONIC ACID |
| 35774 |  OCT CHEMBL134886 ZINC000001529191 |
0 | C8 H18 | InChI=1S/C8H18/c1-3-5-7-8 -6-4-2/h3-8H2,1-2H3; TVMXDCGIABBOFY-UHFFFAOYSA-N |
CCCCCCCC | N-OCTANE |
| 35775 |  OCU CHEMBL5430699 |
8 | C22 H23 N3 O8 S2 | InChI=1S/C22H23N3O8S2/c23 -15-2-1-3-16(11-15)34(30, 31)24-6-8-25(9-7-24)35(32 ,33)22-13-21(29)20(28)12- 17(22)14-4-5-18(26)19(27) 10-14/h1-5,10-13,26-29H,6 -9,23H2; RKRYYZNPSXXWRX-UHFFFAOYSA-N |
Nc1cccc(c1)[S](=O)(=O)N2CCN(CC2)[S](=O)( =O)c3cc(O)c(O)cc3c4ccc(O)c(O)c4; O=S(=O) (c1cc(O)c(O)cc1c1ccc(O)c(O)c1)N1CCN(CC1) S(=O)(=O)c1cc(N)ccc1; c1cc(cc(c1)S(=O)(= O)N2CCN(CC2)S(=O)(=O)c3cc(c(cc3c4ccc(c(c 4)O)O)O)O)N |
(1M)-6-[4-(3-aminobenzene-1-sulfonyl)piperazine-1-sulfonyl][1,1'-biphenyl]-3,3',4,4'-tetrol |
| 35776 |  OCV ZINC000015574627 |
1 | C14 H24 N2 O7 S | InChI=1S/C14H24N2O7S/c1-7 (2)11(13(20)21)23-14(22)9 (6-24)16-10(17)5-3-4-8(15 )12(18)19/h7-9,11,24H,3-6 ,15H2,1-2H3,(H,16,17)(H,1 8,19)(H,20,21)/t8-,9-,11+ /m0/s1; HSEGTKOWKZOZDX-ATZCPNFKSA-N |
CC(C)[C@@H](OC(=O)[C@H](CS)NC(=O)CCC[C@H ](N)C(O)=O)C(O)=O; CC(C)C(C(=O)O)OC(=O)C (CS)NC(=O)CCCC(C(=O)O)N; CC(C)[C@H](C(=O )O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O )N; CC(C)[CH](OC(=O)[CH](CS)NC(=O)CCC[CH ](N)C(O)=O)C(O)=O; O=C(OC(C(=O)O)C(C)C)C (NC(=O)CCCC(C(=O)O)N)CS |
N6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOMETHYL)-2-OXOETHYL]-6-OXO-D-LYSINE; L-D-(A-AMINOADIPOYL)-L-CYSTEINE D-A-HYDROXYISOVALERYL ESTER |
| 35777 |  OCW CHEMBL3609771 ZINC000031416760 |
0 | C24 H22 O11 | InChI=1S/C24H22O11/c1-9-1 5-10(7-12(32-2)16(9)22(30 )34-4)6-11-17(18(15)26)21 (29)24(35-5)14(25)8-13(33 -3)20(28)23(24,31)19(11)2 7/h6-8,20,26,28,31H,1-5H3 /t20-,23-,24-/m1/s1; QSPIPUXWSNFXCK-AGILITTLSA-N |
Cc1c2c(cc3c(c2O)C(=O)[C@@]4(C(=O)C=C([C@ H]([C@@]4(C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC ; Cc1c2c(cc3c(c2O)C(=O)C4(C(=O)C=C(C(C4( C3=O)O)O)OC)OC)cc(c1C(=O)OC)OC; COC(=O)c 1c(C)c2c(O)c3C(=O)[C@]4(OC)C(=O)C=C(OC)[ C@@H](O)[C@]4(O)C(=O)c3cc2cc1OC; COC(=O) c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[ CH](O)[C]4(O)C(=O)c3cc2cc1OC |
Tetracenomycin X; methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate |
| 35778 |  OCX |
2 | C20 H30 O3 | InChI=1S/C20H30O3/c1-2-3- 4-5-6-7-8-9-10-13-16-19(2 1)17-14-11-12-15-18-20(22 )23/h6-7,9-11,13-14,16H,2 -5,8,12,15,17-18H2,1H3,(H ,22,23)/b7-6+,10-9+,14-11 +,16-13?; ULAXHDZCBOQYGV-IXYQYOLGSA-N |
CCCCC\C=C\C\C=C\C=CC(=O)C\C=C\CCCC(=O)O; CCCCCC=CCC=CC=CC(=O)CC=CCCCC(O)=O; CCCC CC=CCC=CC=CC(=O)CC=CCCCC(=O)O; CCCCC\C=C \C\C=C\C=C\C(=O)C\C=C\CCCC(O)=O; O=C(\C= C\C=C\C/C=C/CCCCC)C/C=C/CCCC(=O)O |
(5E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid; 8-oxo-eicosatetraenoic acid |
| 35779 |  OCY DB02413 ZINC000002525397 |
0 | C5 H11 N O3 S | InChI=1S/C5H11NO3S/c6-4(5 (8)9)3-10-2-1-7/h4,7H,1-3 ,6H2,(H,8,9)/t4-/m0/s1; MWFRVMDVLYIXJF-BYPYZUCNSA-N |
C(CSC[C@@H](C(=O)O)N)O; N[CH](CSCCO)C(O) =O; N[C@@H](CSCCO)C(O)=O; O=C(O)C(N)CSCC O; C(CSCC(C(=O)O)N)O |
HYDROXYETHYLCYSTEINE |
| 35780 |  OCZ CHEMBL597477 ZINC000000093985 |
12 | C13 H13 Cl N2 O | InChI=1S/C13H13ClN2O/c14- 7-4-5-11-10(6-7)8-2-1-3-9 (13(15)17)12(8)16-11/h4-6 ,9,16H,1-3H2,(H2,15,17)/t 9-/m0/s1; FUZYTVDVLBBXDL-VIFPVBQESA-N |
NC(=O)[C@H]1CCCc2c1[nH]c3ccc(Cl)cc23; NC (=O)[CH]1CCCc2c1[nH]c3ccc(Cl)cc23; c1cc2 c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N; c1c c2c(cc1Cl)c3c([nH]2)C(CCC3)C(=O)N; Clc1c c2c(cc1)nc3c2CCCC3C(=O)N |
(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1- carboxamide |
| 35781 |  OD0 |
4 | C6 H9 F O3 | InChI=1S/C6H9FO3/c7-3-1-2 -4(8)6(10)5(3)9/h1-6,8-10 H/t3-,4-,5+,6+/m0/s1; DGGHLTXNAWHUTK-UNTFVMJOSA-N |
O[C@H]1C=C[C@H](F)[C@@H](O)[C@@H]1O; C1= CC(C(C(C1O)O)O)F; C1=C[C@@H]([C@H]([C@@H ]([C@H]1O)O)O)F; O[CH]1C=C[CH](F)[CH](O) [CH]1O |
(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol |
| 35782 |  OD1 |
1 | C17 H17 N3 O2 S2 | InChI=1S/C17H17N3O2S2/c18 -7-2-8-20-17(22)14-6-5-13 (23-14)10-3-1-4-12-11(10) 9-15(24-12)16(19)21/h1,3- 6,9H,2,7-8,18H2,(H2,19,21 )(H,20,22); FMTKEOGINPLCJD-UHFFFAOYSA-N |
c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCC CN; NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C( N)=O; c1ccc3c(c1c2ccc(C(NCCCN)=O)s2)cc(C (=O)N)s3 |
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide |
| 35783 |  OD2 CHEMBL1836719 ZINC000072123072 |
1 | C15 H12 N2 O2 S3 | InChI=1S/C15H12N2O2S3/c1- 20-10-4-2-9(3-5-10)12-6-1 1-14(22-12)15(17-8-16-11) 21-7-13(18)19/h2-6,8H,7H2 ,1H3,(H,18,19); KJCQGDBVLKOAHP-UHFFFAOYSA-N |
CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2; CSc 1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O |
2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid |
| 35784 |  OD3 CHEMBL85398 DB11898 ZINC000008554292 |
1 | C3 H3 N O2 S | InChI=1S/C3H3NO2S/c5-2-1- 7-3(6)4-2/h1H2,(H,4,5,6); ZOBPZXTWZATXDG-UHFFFAOYSA-N |
C1C(=O)NC(=O)S1; O=C1CSC(=O)N1 | 1,3-thiazolidine-2,4-dione; 2,4-Thiazolidinedione |
| 35785 |  OD4 |
1 | C17 H16 N2 O3 S2 | InChI=1S/C17H16N2O3S2/c18 -7-2-8-19-16(20)14-6-5-13 (23-14)10-3-1-4-12-11(10) 9-15(24-12)17(21)22/h1,3- 6,9H,2,7-8,18H2,(H,19,20) (H,21,22); PPVOHCUEWCXUEU-UHFFFAOYSA-N |
c1cc(c2cc(sc2c1)C(=O)O)c3ccc(s3)C(=O)NCC CN; NCCCNC(=O)c1sc(cc1)c2cccc3sc(cc23)C( O)=O; C(c3ccc(c2c1c(sc(C(=O)O)c1)ccc2)s3 )(NCCCN)=O |
4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid |
| 35786 |  OD5 |
8 | C12 H10 O6 S | InChI=1S/C12H10O6S/c13-9- 3-1-7(5-11(9)15)19(17,18) 8-2-4-10(14)12(16)6-8/h1- 6,13-16H; ASVQOVSTAOQGAT-UHFFFAOYSA-N |
c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O; O c1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2; Oc 1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1 |
4,4'-sulfonyldi(benzene-1,2-diol) |
| 35787 |  OD6 |
1 | C16 H14 N2 Se | InChI=1S/C16H14N2Se/c17-1 6-18-15(11-19-16)14-8-6-1 3(7-9-14)10-12-4-2-1-3-5- 12/h1-9,11H,10H2,(H2,17,1 8); TVNNGQGXOFXDAF-UHFFFAOYSA-N |
Nc1[se]cc(n1)c2ccc(Cc3ccccc3)cc2; c1ccc( cc1)Cc2ccc(cc2)c3c[se]c(n3)N |
4-[4-(phenylmethyl)phenyl]-1,3-selenazol-2-amine; 4-(4-Benzylphenyl)-selenazol-2-amine |
| 35788 |  OD7 |
1 | C26 H28 N6 O2 | InChI=1S/C26H28N6O2/c1-34 -23-9-10-24-25(16-23)32(3 0-29-24)18-26(33)31(17-21 -4-2-3-13-28-21)22-7-5-19 (6-8-22)20-11-14-27-15-12 -20/h2-10,13,16,20,27H,11 -12,14-15,17-18H2,1H3; NIAFAWJPFVWDCR-UHFFFAOYSA-N |
COc1ccc2nnn(CC(=O)N(Cc3ccccn3)c4ccc(cc4) C5CCNCC5)c2c1; COc1ccc2c(c1)n(nn2)CC(=O) N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5; COc1ccc2 nnn(CC(=O)N(Cc3ccccn3)c3ccc(cc3)C3CCNCC3 )c2c1 |
2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide |
| 35789 |  OD8 |
1 | C27 H48 O8 | InChI=1S/C27H48O8/c1-13(2 )16-8-9-27(4)10-18-15(12- 33-5)6-7-17(18)14(3)21(29 )25(20(16)27)35-26-24(32) 23(31)22(30)19(11-28)34-2 6/h13-26,28-32H,6-12H2,1- 5H3/t14-,15-,16+,17+,18-, 19-,20-,21-,22-,23+,24-,2 5-,26-,27-/m1/s1; VEMJQLCDXCMEJD-YTTKSRRZSA-N |
C[C@@H]1[C@@H]2CC[C@@H]([C@H]2C[C@]3(CC[ C@H]([C@@H]3[C@H]([C@@H]1O)O[C@@H]4[C@@H ]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C )COC; CC1C2CCC(C2CC3(CCC(C3C(C1O)OC4C(C( C(C(O4)CO)O)O)O)C(C)C)C)COC; COC[CH]1CC[ CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH](CO)[C H](O)[CH](O)[CH]3O)[CH]4[CH](CC[C]4(C)C[ CH]12)C(C)C; COC[C@H]1CC[C@H]2[C@@H](C)[ C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O) [C@H](O)[C@H]3O)[C@H]4[C@@H](CC[C@]4(C)C [C@H]12)C(C)C |
(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[[(1~{S},3~{R},6~{S},7~{S},8~{R},9~{R},10~{R},11~{R},14~{S})-14-(me thoxymethyl)-3,10-dimethyl-9-oxidanyl-6-propan-2-yl-8-tricyclo[9.3.0.0^{3,7}]tetradecanyl]oxy]oxane-3,4,5-triol; 16-OMe-Fusicoccin H |
| 35790 |  OD9 CHEMBL5439911 |
8 | C26 H23 N O8 S | InChI=1S/C26H23NO8S/c28-2 0-7-5-17(10-22(20)30)9-15 -1-3-16(4-2-15)14-27-36(3 4,35)26-13-25(33)24(32)12 -19(26)18-6-8-21(29)23(31 )11-18/h1-8,10-13,27-33H, 9,14H2; MJBOUCYGTWUCAO-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3cc(O)c(O)cc 3c4ccc(O)c(O)c4)cc2)cc1O; c1cc(ccc1Cc2cc c(c(c2)O)O)CNS(=O)(=O)c3cc(c(cc3c4ccc(c( c4)O)O)O)O; O=S(=O)(NCc1ccc(Cc2ccc(O)c(O )c2)cc1)c1cc(O)c(O)cc1c1ccc(O)c(O)c1 |
(1M)-N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3',4,4',5-tetrahydroxy[1,1'-biphenyl]-2-sulfonamide |
| 35791 |  ODA ZINC000005975922 |
0 | C10 H15 N3 O4 | InChI=1S/C10H15N3O4/c11-6 -3-4-8(14)12-5-1-2-7(10(1 6)17)13(12)9(6)15/h6-7H,1 -5,11H2,(H,16,17)/t6-,7-/ m0/s1; NWQJXXUYZOCKFS-BQBZGAKWSA-N |
O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2; C1CC(N 2C(=O)C(CCC(=O)N2C1)N)C(=O)O; N[CH]1CCC( =O)N2CCC[CH](N2C1=O)C(O)=O; N[C@H]1CCC(= O)N2CCC[C@H](N2C1=O)C(O)=O; C1C[C@H](N2C (=O)[C@H](CCC(=O)N2C1)N)C(=O)O |
9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID |
| 35792 |  ODB |
2 | C33 H46 N8 O5 S | InChI=1S/C33H46N8O5S/c34- 31(45)28-21-47-20-25-10-4 -2-8-23(25)17-40(16-22-7- 1-3-9-24(22)19-42)18-30(4 4)41-14-6-11-26(41)15-29( 43)38-27(32(46)39-28)12-5 -13-37-33(35)36/h1-4,7-10 ,26-28,42H,5-6,11-21H2,(H 2,34,45)(H,38,43)(H,39,46 )(H4,35,36,37)/t26-,27-,2 8-/m0/s1; IXLKCOMKHVAIOV-KCHLEUMXSA-N |
c1ccc2c(c1)CN(CC(=O)N3CCCC3CC(=O)NC(C(=O )NC(CSC2)C(=O)N)CCCNC(=N)N)Cc4ccccc4CO; NC(=N)NCCC[C@@H]1NC(=O)C[C@@H]2CCCN2C(=O )CN(Cc3ccccc3CO)Cc4ccccc4CSC[C@H](NC1=O) C(N)=O; NC(=N)NCCC[CH]1NC(=O)C[CH]2CCCN2 C(=O)CN(Cc3ccccc3CO)Cc4ccccc4CSC[CH](NC1 =O)C(N)=O; [H]/N=C(/N)\NCCC[C@H]1C(=O)N[ C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC( =O)N1)Cc4ccccc4CO)C(=O)N |
(10S,14S,17R)-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide; P2 macrocycle; (10S,14S,17R)-14-(3-guanidinopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-trioxo-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.06,10]pentacosa-1(25),21,23-triene-17-carboxamide |
| 35793 |  ODC |
1 | C19 H26 Cl2 N2 O3 | InChI=1S/C19H26Cl2N2O3/c1 -19(2,26-16-5-3-15(21)4-6 -16)18(25)23-11-8-14(9-12 -23)7-10-22-17(24)13-20/h 3-6,14H,7-13H2,1-2H3,(H,2 2,24); HSPMLEKSWRTATK-UHFFFAOYSA-N |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCNC(=O)C Cl)CC2; CC(C)(C(=O)N1CCC(CC1)CCNC(=O)CCl )Oc2ccc(cc2)Cl |
2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide |
| 35794 |  ODD CHEMBL1093743 DB04746 ZINC000012504490 |
1 | C18 H32 O2 | InChI=1S/C18H32O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h6-9H ,2-5,10-17H2,1H3,(H,19,20 )/b7-6-,9-8+; GKJZMAHZJGSBKD-NMMTYZSQSA-N |
CCCCCC=CC=CCCCCCCCCC(=O)O; CCCCC\C=C/C=C /CCCCCCCCC(=O)O; CCCCC\C=C/C=C/CCCCCCCCC (O)=O; CCCCCC=CC=CCCCCCCCCC(O)=O; O=C(O) CCCCCCCC\C=C\C=C/CCCCC |
(10E,12Z)-OCTADECA-10,12-DIENOIC ACID; 10-TRANS-12-CIS-OCTADECADIENOIC ACID |
| 35795 |  ODE DB08320 ZINC000013675708 |
2 | C24 H24 O7 | InChI=1S/C24H24O7/c1-3-29 -23(27)19-20(24(28)30-4-2 )22-18(14-7-11-16(26)12-8 -14)17(21(19)31-22)13-5-9 -15(25)10-6-13/h5-12,19-2 2,25-26H,3-4H2,1-2H3/t19- ,20+,21-,22+; NHKDFDHHMHBFLG-COPRSSIGSA-N |
CCOC(=O)[C@@H]1[C@H]2O[C@@H]([C@@H]1C(=O )OCC)C(=C2c3ccc(O)cc3)c4ccc(O)cc4; O=C(O CC)C4C(C(=O)OCC)C3OC4C(c1ccc(O)cc1)=C3c2 ccc(O)cc2; CCOC(=O)[C@H]1[C@H]([C@H]2C(= C([C@@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O )OCC; CCOC(=O)C1C(C2C(=C(C1O2)c3ccc(cc3) O)c4ccc(cc4)O)C(=O)OCC; CCOC(=O)[CH]1[CH ]2O[CH]([CH]1C(=O)OCC)C(=C2c3ccc(O)cc3)c 4ccc(O)cc4 |
DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE |
| 35796 |  ODF CHEMBL1561505 ZINC000100019684 |
4 | C4 H4 N2 O3 | InChI=1S/C4H4N2O3/c7-2-1- 5-4(9)6-3(2)8/h1,7H,(H2,5 ,6,8,9); OFJNVANOCZHTMW-UHFFFAOYSA-N |
C1=C(C(=O)NC(=O)N1)O; OC1=CNC(=O)NC1=O | 5-oxidanyl-1~{H}-pyrimidine-2,4-dione; 5-Hydroxy-2,4(1H,3H)-pyrimidinedion |
| 35797 |  ODG CHEMBL5583913 |
1 | C20 H21 N5 O | InChI=1S/C20H21N5O/c21-14 -18-7-8-19(23-22-18)24-9- 11-25(12-10-24)20(26)13-1 5-1-3-16(4-2-15)17-5-6-17 /h1-4,7-8,17H,5-6,9-13H2; CXSADKGUEBUMLH-UHFFFAOYSA-N |
c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(nn3)C#N)C 4CC4; c4(ccc(N3CCN(C(Cc2ccc(C1CC1)cc2)=O )CC3)nn4)C#N; O=C(Cc1ccc(cc1)C2CC2)N3CCN (CC3)c4ccc(nn4)C#N |
6-{4-[(4-cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
| 35798 |  ODH CHEMBL1408855 ZINC000004869926 |
1 | C14 H11 N3 O2 | InChI=1S/C14H11N3O2/c18-1 4(17-9-11-2-1-7-19-11)10- 3-4-12-13(8-10)16-6-5-15- 12/h1-8H,9H2,(H,17,18); HNDVFGAJLBLXDW-UHFFFAOYSA-N |
O=C(NCc1occc1)c3cc2nccnc2cc3; c1cc(oc1)C NC(=O)c2ccc3c(c2)nccn3; O=C(NCc1occc1)c2 ccc3nccnc3c2 |
N-(furan-2-ylmethyl)quinoxaline-6-carboxamide |
| 35799 |  ODI ZINC000001574321 |
1 | C8 H18 O2 | InChI=1S/C8H18O2/c9-7-5-3 -1-2-4-6-8-10/h9-10H,1-8H 2; OEIJHBUUFURJLI-UHFFFAOYSA-N |
OCCCCCCCCO; C(CCCCO)CCCO | OCTANE-1,8-DIOL; 1,8-OCTANEDIOL |
| 35800 |  ODJ CHEMBL4469360 |
1 | C25 H22 N6 O3 | InChI=1S/C25H22N6O3/c1-15 -12-16(27-25(33)23-18-6-4 -5-7-21(18)30(2)29-23)8-1 0-20(15)28-24(32)19-13-26 -31-14-17(34-3)9-11-22(19 )31/h4-14H,1-3H3,(H,27,33 )(H,28,32); LXWXQRLCBZDGSZ-UHFFFAOYSA-N |
COc1ccc2n(c1)ncc2C(=O)Nc3ccc(NC(=O)c4nn( C)c5ccccc45)cc3C; c4cc5c(C(Nc3ccc(NC(c2c 1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4; Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O) c4c5ccccc5n(n4)C |
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide |