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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 35801 | ODK CHEMBL1234945 ZINC000002544993 |
1 | C9 H7 N3 O2 | InChI=1S/C9H7N3O2/c13-9(1 4)8-5-7(11-12-8)6-3-1-2-4 -10-6/h1-5H,(H,11,12)(H,1 3,14); SJBWHTBPIJXUFP-UHFFFAOYSA-N |
O=C(O)c1cc(nn1)c2ncccc2; c1ccnc(c1)c2cc( [nH]n2)C(=O)O; OC(=O)c1[nH]nc(c1)c2ccccn 2 |
3-pyridin-2-yl-1H-pyrazole-5-carboxylic acid; 5-Pyridin-2-yl-2H-pyrazole-3-carboxylic acid |
| 35802 | ODL CHEMBL5410432 |
8 | C20 H19 N O4 S | InChI=1S/C20H19NO4S/c22-1 9-11-10-17(13-20(19)23)12 -15-6-8-16(9-7-15)14-21-2 6(24,25)18-4-2-1-3-5-18/h 1-11,13,21-23H,12,14H2; QNXMAYYQTOPLQV-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2) cc1O; c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3 ccc(c(c3)O)O; O=S(=O)(NCc1ccc(Cc2ccc(O)c (O)c2)cc1)c1ccccc1 |
N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide |
| 35803 | ODM CHEMBL1907993 ZINC000001531601 |
3 | C10 H20 O | InChI=1S/C10H20O/c1-9(2)5 -4-6-10(3)7-8-11/h5,10-11 H,4,6-8H2,1-3H3/t10-/m1/s 1; QMVPMAAFGQKVCJ-SNVBAGLBSA-N |
C[C@H](CCC=C(C)C)CCO; C/C(C)=C/CCC(C)CCO ; C[CH](CCO)CCC=C(C)C; C[C@@H](CCO)CCC=C (C)C; CC(CCC=C(C)C)CCO |
(3R)-3,7-dimethyloct-6-en-1-ol; citronellol |
| 35804 | ODN ZINC000263621003 |
19 | C20 H30 O6 | InChI=1S/C20H30O6/c1-9-10 -4-5-11-18-8-26-20(25,19( 11,14(9)22)15(10)23)16(24 )13(18)17(2,3)7-6-12(18)2 1/h9-13,15-16,21,23-25H,4 -8H2,1-3H3/t9-,10+,11+,12 +,13-,15-,16+,18-,19+,20- /m1/s1; RWELMBQGCLVKOE-ZJOCIWLNSA-N |
C[C@@H]1[C@@H]2CC[C@H]3[C@@]45CO[C@@]([C @]3([C@@H]2O)C1=O)([C@H]([C@@H]4C(CC[C@@ H]5O)(C)C)O)O; C[CH]1[CH]2CC[CH]3[C]45CO [C](O)([CH](O)[CH]4C(C)(C)CC[CH]5O)[C]3( [CH]2O)C1=O; O=C2C(C)C4CCC3C51C(C(O)C(O) (OC1)C23C4O)C(CCC5O)(C)C; C[C@@H]1[C@@H] 2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H ]4C(C)(C)CC[C@@H]5O)[C@]3([C@@H]2O)C1=O; CC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5 O)(C)C)O)O |
(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one |
| 35805 | ODO ZINC000100032746 |
1 | C8 H9 N O3 | InChI=1S/C8H9NO3/c1-5(9-1 2)7-3-2-6(10)4-8(7)11/h2- 4,10-12H,1H3/b9-5+; FQPRUMXSHZSJGM-WEVVVXLNSA-N |
C\C(=N/O)c1ccc(O)cc1O; C/C(=N\O)/c1ccc(c c1O)O; CC(=NO)c1ccc(O)cc1O; N(/O)=C(\c1c cc(O)cc1O)C; CC(=NO)c1ccc(cc1O)O |
4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol |
| 35806 | ODP DB01753 ZINC000263620886 |
3 | C21 H29 N7 O18 P3 | InChI=1S/C21H28N7O18P3/c2 2-17-12-19(25-6-24-17)28( 7-26-12)21-16(45-47(34,35 )36)14(31)11(44-21)5-42-4 9(39,40)46-48(37,38)41-4- 10-13(30)15(32)20(43-10)2 7-2-1-9(29)8(3-27)18(23)3 3/h1-3,6-8,10-11,13-16,20 -21,30-32H,4-5H2,(H7-,22, 23,24,25,33,34,35,36,37,3 8,39,40)/p+1/t8-,10+,11+, 13+,14+,15+,16+,20+,21+/m 0/s1; PIXSDSMVQQICPA-BYJCYCELSA-O |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)[N+]5=CC(C(=O)C=C5) C(=O)N)O)O)O)OP(=O)(O)O)N; NC(=O)[CH]1C= [N+](C=CC1=O)[CH]2O[CH](CO[P](O)(=O)O[P] (O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[C H]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC( =O)[C@H]1C=[N+](C=CC1=O)[C@@H]2O[C@H](CO [P@](O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([ C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncn c45)[C@@H](O)[C@H]2O; c1nc(c2c(n1)n(cn2) [C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O) (O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@ H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP (=O)(O)O)N |
4-OXO-NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE |
| 35807 | ODQ | 1 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-4- 9-14(2)13(18)15-11-8-6-5- 7-10(11)12(17)16(14)3/h5- 8H,4,9H2,1-3H3,(H,15,18)/ t14-/m1/s1; CNQOZARVGPMUHF-CQSZACIVSA-N |
CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O; CCC[C@ @]1(C)N(C)C(=O)c2ccccc2NC1=O; CCCC1(C(=O )Nc2ccccc2C(=O)N1C)C; CCC[C@@]1(C(=O)Nc2 ccccc2C(=O)N1C)C |
(3~{R})-3,4-dimethyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione |
| 35808 | ODR ZINC000072114946 |
1 | C15 H19 N O3 | InChI=1S/C15H19NO3/c1-5-1 8-14-7-12(10(3)17)6-13(8- 14)15-9(2)16-19-11(15)4/h 6-8,10,17H,5H2,1-4H3/t10- /m1/s1; AONNGYBECNOVTK-SNVBAGLBSA-N |
CCOc1cc(cc(c1)C(C)O)c2c(noc2C)C; CCOc1cc (cc(c1)c2c(C)onc2C)[CH](C)O; CCOc1cc(cc( c1)[C@@H](C)O)c2c(noc2C)C; CCOc1cc(cc(c1 )c2c(C)onc2C)[C@@H](C)O; n2oc(c(c1cc(OCC )cc(c1)C(O)C)c2C)C |
(1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol |
| 35809 | ODS DB04451 |
0 | C6 H12 N2 O2 | InChI=1S/C6H12N2O2/c1-7-2 -4-8(5-3-7)6(9)10/h2-5H2, 1H3,(H,9,10); KNWWGBNAUNTSRV-UHFFFAOYSA-N |
O=C(O)N1CCN(C)CC1; CN1CCN(CC1)C(O)=O; CN 1CCN(CC1)C(=O)O |
4-methylpiperazine-1-carboxylic acid |
| 35810 | ODT DB04747 |
2 | C18 H30 O2 | InChI=1S/C18H30O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h3-8H ,2,9-17H2,1H3,(H,19,20)/b 4-3-,6-5+,8-7+; ZSXWVPXJLXTOQQ-ZRGCPWHVSA-N |
CCC=CC=CC=CCCCCCCCCCC(=O)O; O=C(O)CCCCCC CCC\C=C\C=C\C=C/CC; CCC=CC=CC=CCCCCCCCCC C(O)=O; CC\C=C/C=C/C=C/CCCCCCCCCC(O)=O; CC\C=C/C=C/C=C/CCCCCCCCCC(=O)O |
(11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID; 11-TRANS-13-TRANS-15-CIS-OCTADECATRIENOIC ACID |
| 35811 | ODU | 4 | H N5 O10 Ru | InChI=1S/4NO2.NO.H2O.Ru/c 4*2-1-3;1-2;;/h;;;;;1H2;/ q;;;;-1;;/p-1; YJGPUQROXYARAA-UHFFFAOYSA-M |
N(=O)[Ru-2]([N+](=O)[O-])([N+](=O)[O-])( [N+](=O)[O-])([N+](=O)[O-])O; O[Ru--](N= O)([N+]([O-])=O)([N+]([O-])=O)([N+]([O-] )=O)[N+]([O-])=O |
tetranitro-nitroso-oxidanyl-ruthenium(2-); hydroxy-tetranitro-nitrosyl-ruthenate |
| 35812 | ODV ZINC000019204143 |
6 | C2 H8 N O4 P | InChI=1S/C2H8NO4P/c3-1-2( 4)8(5,6)7/h2,4H,1,3H2,(H2 ,5,6,7)/t2-/m1/s1; RTTXIBKRJFIBBG-UWTATZPHSA-N |
NC[CH](O)[P](O)(O)=O; NC[C@H](O)[P](O)(O )=O; O=P(O)(O)C(O)CN; C([C@H](O)P(=O)(O) O)N; C(C(O)P(=O)(O)O)N |
[(1R)-2-amino-1-hydroxyethyl]phosphonic acid |
| 35813 | ODW CHEMBL4757193 |
2 | C8 H15 N O4 | InChI=1S/C8H15NO4/c10-3-4 -5-1-2-8(13,9-5)7(12)6(4) 11/h4-7,9-13H,1-3H2/t4-,5 +,6-,7-,8+/m0/s1; NLSPHUUFXPUPJJ-GWVFRZDISA-N |
C1CC2(C(C(C(C1N2)CO)O)O)O; OC[CH]1[CH](O )[CH](O)[C]2(O)CC[CH]1N2; OC[C@@H]1[C@H] (O)[C@H](O)[C@]2(O)CC[C@H]1N2; C1C[C@]2( [C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O)O |
(1~{R},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol; galacto-noeurostegine; GNS |
| 35814 | ODX | 1 | C19 H22 Cl N3 O2 | InChI=1S/C19H22ClN3O2/c1- 12-5-6-21-11-17(12)23-19( 25)9-13-7-14(20)10-15(8-1 3)22-16-3-2-4-18(16)24/h5 -8,10-11,16,18,22,24H,2-4 ,9H2,1H3,(H,23,25)/t16-,1 8-/m0/s1; SXRYZSBUMPNSOT-WMZOPIPTSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[C@H]3CCC[C@ @H]3O)c2; O=C(Nc1cnccc1C)Cc1cc(NC2CCCC2O )cc(Cl)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl )NC3CCCC3O; Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N [CH]3CCC[CH]3O)c2; Cc1ccncc1NC(=O)Cc2cc( cc(c2)Cl)N[C@H]3CCC[C@@H]3O |
2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 35815 | ODY CHEMBL4455953 |
2 | C28 H28 F N O4 | InChI=1S/C28H28FNO4/c1-18 -24-6-3-7-25(32)28(24)34- 27(26(18)21-4-2-5-22(31)1 4-21)20-8-10-23(11-9-20)3 3-13-12-30-16-19(15-29)17 -30/h2-11,14,19,27,31-32H ,12-13,15-17H2,1H3/t27-/m 0/s1; UEGMBSNOWSMURK-MHZLTWQESA-N |
CC1=C([C@@H](Oc2c(O)cccc12)c3ccc(OCCN4CC (CF)C4)cc3)c5cccc(O)c5; CC1=C(C(Oc2c1ccc c2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O; CC1=C([CH](Oc2c(O)cccc12)c3ccc(OCCN4CC( CF)C4)cc3)c5cccc(O)c5; CC1=C([C@@H](Oc2c 1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c 5)O; C4(c1ccc(cc1)OCCN2CC(C2)CF)C(c3cc(c cc3)O)=C(c5c(O4)c(ccc5)O)C |
(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol |
| 35816 | ODZ | 1 | C14 H17 N O4 | InChI=1S/C14H17NO4/c1-10( 17)8-14(2,9-16)15-13(19)7 -11-3-5-12(18)6-4-11/h3-6 ,9,17-18H,1,7-8H2,2H3,(H, 15,19)/t14-/m0/s1; RSUSHGHDXWZFTH-AWEZNQCLSA-N |
C[C](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O; C[ C@@](CC(O)=C)(NC(=O)Cc1ccc(O)cc1)C=O; C[ C@](CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O; CC( CC(=C)O)(C=O)NC(=O)Cc1ccc(cc1)O |
2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide |
| 35817 | OE0 CHEMBL5412990 |
8 | C20 H19 N O6 S | InChI=1S/C20H19NO6S/c22-1 7-7-5-15(10-19(17)24)9-13 -1-3-14(4-2-13)12-21-28(2 6,27)16-6-8-18(23)20(25)1 1-16/h1-8,10-11,21-25H,9, 12H2; WNFFMCJBFDREPV-UHFFFAOYSA-N |
Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c 3)cc2)cc1O; c1cc(ccc1Cc2ccc(c(c2)O)O)CNS (=O)(=O)c3ccc(c(c3)O)O; Oc1ccc(cc1O)S(=O )(=O)NCc1ccc(Cc2ccc(O)c(O)c2)cc1 |
N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)-3,4-dihydroxybenzene-1-sulfonamide |
| 35818 | OE1 ZINC000003911250 |
1 | C19 H23 N3 O2 S | InChI=1S/C19H23N3O2S/c1-3 -12-22(13-4-2)25(23,24)16 -10-11-17-18(14-16)21-19( 20-17)15-8-6-5-7-9-15/h5- 11,14H,3-4,12-13H2,1-2H3, (H,20,21); PFITZESRTBQCHT-UHFFFAOYSA-N |
CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3 ccccc3; CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc( [nH]2)c3ccccc3 |
2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide |
| 35819 | OE2 CHEMBL3586274 ZINC000014681576 |
6 | C11 H14 Br N3 O5 S | InChI=1S/C11H14BrN3O5S/c1 2-8-5-7(1-2-10(8)16)6-9(1 5-18)11(17)14-3-4-21(13,1 9)20/h1-2,5,16,18H,3-4,6H 2,(H,14,17)(H2,13,19,20)/ b15-9+; LZIKVOPNIDEBQJ-OQLLNIDSSA-N |
N[S](=O)(=O)CCNC(=O)\C(Cc1ccc(O)c(Br)c1) =N\O; c1cc(c(cc1CC(=NO)C(=O)NCCS(=O)(=O) N)Br)O; c1cc(c(cc1C/C(=N\O)/C(=O)NCCS(=O )(=O)N)Br)O; N[S](=O)(=O)CCNC(=O)C(Cc1cc c(O)c(Br)c1)=NO |
PSAMMAPLIN C |
| 35820 | OE3 | 2 | C19 H20 N2 O3 S | InChI=1S/C19H20N2O3S/c1-3 -21-18-10-9-15(12-17(18)1 4(2)11-19(21)22)13-20-25( 23,24)16-7-5-4-6-8-16/h4- 12,20H,3,13H2,1-2H3; ZRTFSGAREQNMFJ-UHFFFAOYSA-N |
CCN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc 3)ccc12; CCN1c2ccc(cc2C(=CC1=O)C)CNS(=O) (=O)c3ccccc3 |
~{N}-[(1-ethyl-4-methyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
| 35821 | OE4 CHEMBL4546918 |
4 | C24 H20 N4 O3 | InChI=1S/C24H20N4O3/c29-2 2-20-5-1-2-6-21(20)23(30) 28(22)13-16-7-9-19(10-8-1 6)26-24(31)27-14-18(15-27 )17-4-3-11-25-12-17/h1-12 ,18H,13-15H2,(H,26,31); BXJQNJNBPGVHBT-UHFFFAOYSA-N |
c1cncc(c1)C5CN(C(Nc2ccc(cc2)CN3C(c4c(C3= O)cccc4)=O)=O)C5; c1ccc2c(c1)C(=O)N(C2=O )Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5; O=C( Nc1ccc(CN2C(=O)c3ccccc3C2=O)cc1)N4CC(C4) c5cccnc5 |
N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide |
| 35822 | OE5 CHEMBL4441119 |
1 | C32 H33 N7 O2 | InChI=1S/C32H33N7O2/c1-21 -10-16-25(17-11-21)38-28( 18-27(37-38)32(2,3)4)36-3 0(40)23-14-12-22(13-15-23 )19-34-31(41)26-20-35-39( 29(26)33)24-8-6-5-7-9-24/ h5-18,20H,19,33H2,1-4H3,( H,34,41)(H,36,40); QFGZYEFHTBOJHO-UHFFFAOYSA-N |
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3cc c(cc3)CNC(=O)c4cnn(c4N)c5ccccc5; Cc1ccc( cc1)n2nc(cc2NC(=O)c3ccc(CNC(=O)c4cnn(c4N )c5ccccc5)cc3)C(C)(C)C |
5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; MCP-81 |
| 35823 | OE6 | 2 | C14 H11 Cl N4 O | InChI=1S/C14H11ClN4O/c15- 11-5-3-4-10(8-11)9-14(20) 17-19-13-7-2-1-6-12(13)16 -18-19/h1-8H,9H2,(H,17,20 ); OYXJREXTFZDGLT-UHFFFAOYSA-N |
c1ccc2c(c1)nnn2NC(=O)Cc3cccc(c3)Cl; Clc1 cccc(CC(=O)Nn2nnc3ccccc23)c1; Clc1cccc(c 1)CC(=O)Nn1nnc2ccccc21 |
N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide |
| 35824 | OE7 CHEMBL4591345 |
9 | C21 H16 Cl N5 O4 | InChI=1S/C21H16ClN5O4/c22 -13-5-6-14(20(30)31)15(8- 13)25-18(28)11-3-1-10(2-4 -11)7-12-9-24-17-16(12)19 (29)27-21(23)26-17/h1-6,8 -9H,7H2,(H,25,28)(H,30,31 )(H4,23,24,26,27,29); OBHYLCXTIVOOGV-UHFFFAOYSA-N |
N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc 4cc(Cl)ccc4C(O)=O; NC1=Nc2[nH]cc(Cc3ccc( cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O)c2C(=O)N1; c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)Cl |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
| 35825 | OE8 CHEMBL4740565 |
1 | C34 H37 F N6 O3 | InChI=1S/C34H37FN6O3/c35- 26-16-18-27(19-17-26)39-3 4(44)30(20-13-23-7-3-1-4- 8-23)40-32(42)25-14-11-24 (12-15-25)21-37-33(43)29- 22-38-41(31(29)36)28-9-5- 2-6-10-28/h2,5-6,9-12,14- 19,22-23,30H,1,3-4,7-8,13 ,20-21,36H2,(H,37,43)(H,3 9,44)(H,40,42)/t30-/m0/s1; DRRUHOOICOBDHW-PMERELPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1 n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3 CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5; c1ccc (cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C @@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N; Nc1 n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CC CCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; SR348 |
| 35826 | OE9 | 8 | C36 H36 N4 O5 Zn | InChI=1S/C36H37N4O5.Zn/c1 -9-20-16(3)23-13-25-18(5) 22(11-12-29(41)44-7)33(39 -25)31-32(36(43)45-8)35(4 2)30-19(6)26(40-34(30)31) 15-28-21(10-2)17(4)24(38- 28)14-27(20)37-23;/h9,13- 15,18,22,32H,1,10-12H2,2- 8H3,(H-,37,38,39,40,42);/ q-1;+2/p-1/t18-,22+,32+;/ m0./s1; KSFOOHVZTTVNHW-PIFGRXHESA-M |
O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C )=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn]( N2=C91)(n34)N5=6)C(=O)OC; CCC1=C(C2=Cc3c (c(c4n3[Zn]56[N]2=C1C=C7N5C8=C([C@H](C(= O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@ H]9CCC(=O)OC)C)C)C=C)C; CCC1=C(C2=Cc3c(c (c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C 7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC)C) C)C=C)C; CCC1=C(C)C2=Cc3n4[Zn][N@@]5C(=C C1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7= NC(=Cc4c(C)c3C=C)[C@@H](C)[C@H]7CCC(=O)O C)C; CCC1=C(C)C2=Cc3n4[Zn][N]5C(=CC1=N2) C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4 c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C |
[methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc |
| 35827 | OEA CHEMBL4476613 |
5 | C22 H19 N5 O5 | InChI=1S/C22H19N5O5/c1-32 -14-6-7-15(21(30)31)16(9- 14)25-19(28)12-4-2-11(3-5 -12)8-13-10-24-18-17(13)2 0(29)27-22(23)26-18/h2-7, 9-10H,8H2,1H3,(H,25,28)(H ,30,31)(H4,23,24,26,27,29 ); IXAPCYKVLYGBPQ-UHFFFAOYSA-N |
c1cc(ccc1Cc3c2C(=O)NC(=Nc2nc3)N)C(Nc4cc( OC)ccc4C(O)=O)=O; COc1ccc(c(c1)NC(=O)c2c cc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)C(=O)O; COc1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH]c4 N=C(N)NC(=O)c34)cc2)c1 |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxybenzoic acid |
| 35828 | OEB CHEMBL4745922 |
1 | C34 H39 N7 O3 | InChI=1S/C34H39N7O3/c35-3 1-29(23-39-41(31)28-9-5-2 -6-10-28)33(43)37-21-25-1 1-14-27(15-12-25)32(42)40 -30(16-13-24-7-3-1-4-8-24 )34(44)38-22-26-17-19-36- 20-18-26/h2,5-6,9-12,14-1 5,17-20,23-24,30H,1,3-4,7 -8,13,16,21-22,35H2,(H,37 ,43)(H,38,44)(H,40,42)/t3 0-/m0/s1; SYJAXZVNUTWQPV-PMERELPUSA-N |
c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(= O)NC(CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n( ncc1C(=O)NCc2ccc(cc2)C(=O)N[C@@H](CCC3CC CCC3)C(=O)NCc4ccncc4)c5ccccc5; c1ccc(cc1 )n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H] (CCC4CCCCC4)C(=O)NCc5ccncc5)N; Nc1n(ncc1 C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C (=O)NCc4ccncc4)c5ccccc5 |
5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide; SR92 |
| 35829 | OEC | 23 | Ca Mn4 O4 | InChI=1S/Ca.4Mn.4O; UFRGXNUNWYSFQE-UHFFFAOYSA-N |
[Mn][O]12[Mn]O[Mn]O[Ca]1O[Mn]2; [O@]12[C a]3[O@]4[Mn]1O5[Mn]2O3([Mn]45)[Mn]; O12[ Ca]3O4[Mn]1O5[Mn]2O3([Mn]45)[Mn] |
OXYGEN EVOLVING SYSTEM |
| 35830 | OED CHEMBL4445927 |
10 | C23 H21 N5 O5 | InChI=1S/C23H21N5O5/c1-33 -16-7-6-14(9-18(29)30)17( 10-16)26-21(31)13-4-2-12( 3-5-13)8-15-11-25-20-19(1 5)22(32)28-23(24)27-20/h2 -7,10-11H,8-9H2,1H3,(H,26 ,31)(H,29,30)(H4,24,25,27 ,28,32); UOZOJZZNBFZRTI-UHFFFAOYSA-N |
O=C4c3c(ncc3Cc1ccc(cc1)C(=O)Nc2cc(ccc2CC (O)=O)OC)N=C(N4)N; COc1ccc(c(c1)NC(=O)c2 ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O) O; COc1ccc(CC(O)=O)c(NC(=O)c2ccc(Cc3c[nH ]c4N=C(N)NC(=O)c34)cc2)c1 |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-methoxyphenyl]acetic acid |
| 35831 | OEE | 1 | C11 H19 N O4 | InChI=1S/C11H19NO4/c1-8(1 4)6-11(5,7-13)12-9(15)16- 10(2,3)4/h7,14H,1,6H2,2-5 H3,(H,12,15)/t11-/m0/s1; DGQSAFHPNXJDHT-NSHDSACASA-N |
CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O; CC(C)(C )OC(=O)N[C@@](C)(CC(O)=C)C=O; C[C@](CC(= C)O)(C=O)NC(=O)OC(C)(C)C; CC(C)(C)OC(=O) N[C](C)(CC(O)=C)C=O |
~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate |
| 35832 | OEF CHEMBL289343 ZINC000013517883 |
1 | C18 H18 Br2 O4 | InChI=1S/C18H18Br2O4/c1-1 0(2)13-9-12(4-5-16(13)21) 24-18-14(19)7-11(8-15(18) 20)3-6-17(22)23/h4-5,7-10 ,21H,3,6H2,1-2H3,(H,22,23 ); DGODJDXDANWOEP-UHFFFAOYSA-N |
CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)B r; CC(C)c1cc(Oc2c(Br)cc(CCC(O)=O)cc2Br)c cc1O; Brc2cc(cc(Br)c2Oc1cc(c(O)cc1)C(C)C )CCC(=O)O |
3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID |
| 35833 | OEG CHEMBL1234950 ZINC000001648157 |
1 | C4 H6 O5 | InChI=1S/C4H6O5/c5-3(6)1- 9-2-4(7)8/h1-2H2,(H,5,6)( H,7,8); QEVGZEDELICMKH-UHFFFAOYSA-N |
OC(=O)COCC(O)=O; C(C(=O)O)OCC(=O)O; O=C( O)COCC(=O)O |
2,2'-oxydiacetic acid |
| 35834 | OEH | 31 | C35 H43 Cl N3 O6 | InChI=1S/C35H42ClN3O6/c1- 38(2)25-10-13-28-31(22-25 )45-32-23-26(39(3)4)11-14 -29(32)33(28)30-21-24(9-1 2-27(30)35(41)42)34(40)37 -16-18-44-20-19-43-17-8-6 -5-7-15-36/h9-14,21-23H,5 -8,15-20H2,1-4H3,(H-,37,4 0,41,42)/p+1; YORHEDWUCXZZLS-UHFFFAOYSA-O |
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O )=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1; C N(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2 c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl |
[9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
| 35835 | OEI CHEMBL119890 ZINC000001712826 |
1 | C9 H13 N O | InChI=1S/C9H13NO/c11-7-6- 10-8-9-4-2-1-3-5-9/h1-5,1 0-11H,6-8H2; XNIOWJUQPMKCIJ-UHFFFAOYSA-N |
OCCNCc1ccccc1; c1ccc(cc1)CNCCO | 2-[(phenylmethyl)amino]ethanol; 2-(benzylamino)ethan-1-ol |
| 35836 | OEJ CHEMBL4562561 |
7 | C22 H17 N5 O6 | InChI=1S/C22H17N5O6/c23-2 2-26-17-16(19(29)27-22)13 (9-24-17)7-10-1-3-11(4-2- 10)18(28)25-15-8-12(20(30 )31)5-6-14(15)21(32)33/h1 -6,8-9H,7H2,(H,25,28)(H,3 0,31)(H,32,33)(H4,23,24,2 6,27,29); UKZJDHHDTGYQBX-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)C(=O)O; NC1=Nc2[nH]cc(C c3ccc(cc3)C(=O)Nc4cc(ccc4C(O)=O)C(O)=O)c 2C(=O)N1; C(c1ccc(cc1)Cc2cnc3c2C(=O)NC(= N3)N)(Nc4cc(C(O)=O)ccc4C(O)=O)=O |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzene-1,4-dicarboxylic acid |
| 35837 | OEK | 6 | C38 H49 Cl N3 O5 | InChI=1S/C38H48ClN3O5/c1- 38(2)33-24-27(41(3)4)12-1 5-30(33)35(31-16-13-28(42 (5)6)25-34(31)38)32-23-26 (11-14-29(32)37(44)45)36( 43)40-18-20-47-22-21-46-1 9-10-8-7-9-17-39/h11-16,2 3-25H,7-10,17-22H2,1-6H3, (H-,40,43,44,45)/p+1; BFWDBISDEDTHTG-UHFFFAOYSA-O |
CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4c c(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+]( C)C; CC1(c2cc(ccc2C(=C3C1=CC(=[N+](C)C)C =C3)c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCCCl )N(C)C)C |
4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid |
| 35838 | OEL ZINC000263621086 |
2 | C13 H20 F N4 O7 | InChI=1S/C13H19FN4O7/c1-4 (2)12(22)16-8-7(17-18-15) 6(14)10(13(23)24)25-11(8) 9(21)5(20)3-19/h4-8,10-11 ,15,19-20H,3H2,1-2H3,(H-, 16,22,23,24)/p+1/t5-,6-,7 -,8+,10-,11+/m0/s1; UFSBEYSJWUBWLQ-JAYUSQFOSA-O |
CC(C)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1 C(=O)[C@H](CO)O)C(=O)O)F)N=[N+]=N; CC(C) C(=O)N[CH]1[CH](O[CH]([CH](F)[CH]1N=[N+] =N)C(O)=O)C(=O)[CH](O)CO; CC(C)C(=O)NC1C (C(C(OC1C(=O)C(CO)O)C(=O)O)F)N=[N+]=N; C C(C)C(=O)N[C@H]1[C@@H](O[C@@H]([C@@H](F) [C@@H]1N=[N+]=N)C(O)=O)C(=O)[C@@H](O)CO; FC1C(\N=[N+]=[N@H])C(NC(=O)C(C)C)C(OC1C (=O)O)C(=O)C(O)CO |
(6R)-2,6-anhydro-3,4,5-trideoxy-6-[(2S)-2,3-dihydroxypropanoyl]-3-fluoro-5-[(2-methylpropanoyl)amino]-4-triaza-1,2-dien -2-ium-1-yl-L-gulonic acid |
| 35839 | OEM CHEMBL291278 ZINC000000901012 |
3 | C5 H9 N O4 | InChI=1S/C5H9NO4/c1-6-3(5 (9)10)2-4(7)8/h3,6H,2H2,1 H3,(H,7,8)(H,9,10)/t3-/m1 /s1; HOKKHZGPKSLGJE-GSVOUGTGSA-N |
CN[C@H](CC(=O)O)C(=O)O; CN[C@H](CC(O)=O) C(O)=O; CNC(CC(=O)O)C(=O)O; CN[CH](CC(O) =O)C(O)=O; O=C(O)C(NC)CC(=O)O |
N-methyl-D-aspartic acid |
| 35840 | OEN | 1 | C15 H21 N4 O5 S | InChI=1S/C15H20N4O5S/c1-7 -11(10(8(2)20)14(21)22)17 -12(15(23)24)13(7)25-9-3- 18-5-16-6-19(18)4-9/h5-10 ,12-13,20H,3-4H2,1-2H3,(H -,21,22,23,24)/p+1/t7-,8- ,10-,12+,13+/m1/s1; FWQUIKBOZBJCAG-PAMYDDKSSA-O |
CC1C(C(N=C1C(C(C)O)C(=O)O)C(=O)O)SC2Cn3c nc[n+]3C2; C[CH](O)[CH](C(O)=O)C1=N[CH]( [CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C(O)=O)C1=N[C@@H]([C@@H ](S[C@H]2Cn3cnc[n+]3C2)[C@@H]1C)C(O)=O; C[C@H]1C(C(N=C1[C@@H]([C@@H](C)O)C(=O)O) C(=O)O)S[C@H]2Cn3cnc[n+]3C2 |
Biapenem Imine hydrolysis product |
| 35841 | OEO | 1 | C24 H23 N3 O S | InChI=1S/C24H23N3OS/c1-26 (2)21-7-9-22(10-8-21)27(1 6-18-11-12-29-17-18)24(28 )13-20-15-25-14-19-5-3-4- 6-23(19)20/h3-12,14-15,17 H,13,16H2,1-2H3; NWMNITATBGAXEW-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)N(Cc2ccsc2)C(=O)Cc3cncc4c 3cccc4; CN(C)c1ccc(cc1)N(Cc2cscc2)C(=O)C c3cncc4ccccc34; O=C(Cc1cncc2ccccc21)N(Cc 1ccsc1)c1ccc(cc1)N(C)C |
N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide |
| 35842 | OEP CHEMBL4451239 |
5 | C23 H19 N5 O6 | InChI=1S/C23H19N5O6/c24-2 3-27-19-18(21(32)28-23)15 (10-25-19)7-11-1-3-12(4-2 -11)20(31)26-16-8-14(22(3 3)34)6-5-13(16)9-17(29)30 /h1-6,8,10H,7,9H2,(H,26,3 1)(H,29,30)(H,33,34)(H4,2 4,25,27,28,32); FDEJWGPULAIBRF-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4CC(=O)O)C(=O)O; c14c(c(cn1)Cc2 ccc(cc2)C(Nc3c(CC(O)=O)ccc(c3)C(O)=O)=O) C(=O)NC(=N4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3) C(=O)Nc4cc(ccc4CC(O)=O)C(O)=O)c2C(=O)N1 |
3-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-(carboxymethyl)benzoic acid |
| 35843 | OEQ | 1 | C15 H21 N4 O5 S | InChI=1S/C15H20N4O5S/c1-7 -11(10(8(2)20)14(21)22)17 -12(15(23)24)13(7)25-9-3- 18-5-16-6-19(18)4-9/h5-11 ,17,20H,3-4H2,1-2H3,(H-,2 1,22,23,24)/p+1/t7-,8-,10 -,11-/m1/s1; NNMZLHRXLIBHJJ-YJFSRANCSA-O |
C[C@@H](O)[C@H]([C@@H]1NC(=C(S[C@@H]2Cn3 cnc[n+]3C2)[C@@H]1C)C(O)=O)C(O)=O; CC1C( NC(=C1SC2Cn3cnc[n+]3C2)C(=O)O)C(C(C)O)C( =O)O; C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3cn c[n+]3C2)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O ; C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n +]3C2)[CH]1C)C(O)=O)C(O)=O |
Biapenem Enamine hydrolysis product; (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2 -a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
| 35844 | OER | 4 | Mn4 O5 Sr | InChI=1S/4Mn.5O.Sr/q;;;;; ;;-1;+1;+2; CSESTIVEXPKVIG-UHFFFAOYSA-N |
O1[Mn][O-]2|3[Mn]4|O5[Sr++]2|O6[Mn]1|3[O +]4[Mn]56; O1[Mn][O-]23[Mn]14O5[Sr+2]2O6 [Mn]5[O+]4[Mn]36 |
SR-MN4-O5 CLUSTER; Mn4SrOt5-cluster |
| 35845 | OES DB02415 ZINC000014880337 |
0 | C10 H22 O2 S | InChI=1S/C10H22O2S/c1-2-3 -4-5-6-7-9-13(12)10-8-11/ h11H,2-10H2,1H3/t13-/m1/s 1; IRJUEMKMQDEOTQ-CYBMUJFWSA-N |
O=S(CCCCCCCC)CCO; CCCCCCCC[S@@](=O)CCO; CCCCCCCC[S](=O)CCO; CCCCCCCCS(=O)CCO |
N-OCTYL-2-HYDROXYETHYL SULFOXIDE |
| 35846 | OET CHEMBL135626 |
0 | C2 H5 | InChI=1/C2H6/c1-2/h1-2H3; OTMSDBZUPAUEDD-UHFFFAOYAK |
C[CH2]; [CH2]C; CC | ETHYL GROUP |
| 35847 | OEU CHEMBL1271031 ZINC000064528240 |
4 | C31 H36 Cl N3 O4 | InChI=1S/C31H36ClN3O4/c1- 21-10-6-7-13-24(21)17-19- 28(37)35-29(22(2)36)31(39 )34-27(18-16-23-11-4-3-5- 12-23)30(38)33-20-25-14-8 -9-15-26(25)32/h3-15,22,2 7,29,36H,16-20H2,1-2H3,(H ,33,38)(H,34,39)(H,35,37) /t22-,27+,29+/m1/s1; PBDVPZRRBJJONI-RVBRUHEGSA-N |
C[CH](O)[CH](NC(=O)CCc1ccccc1C)C(=O)N[CH ](CCc2ccccc2)C(=O)NCc3ccccc3Cl; Cc1ccccc 1CCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]( CCc2ccccc2)C(=O)NCc3ccccc3Cl; C[C@@H](O) [C@H](NC(=O)CCc1ccccc1C)C(=O)N[C@@H](CCc 2ccccc2)C(=O)NCc3ccccc3Cl; Clc1ccccc1CNC (=O)C(NC(=O)C(NC(=O)CCc2ccccc2C)C(O)C)CC c3ccccc3; Cc1ccccc1CCC(=O)NC(C(C)O)C(=O) NC(CCc2ccccc2)C(=O)NCc3ccccc3Cl |
N-{(2S)-1-[(2-chlorobenzyl)amino]-1-oxo-4-phenylbutan-2-yl}-N~2~-[3-(2-methylphenyl)propanoyl]-L-threoninamide |
| 35848 | OEV CHEMBL1234952 DB08321 ZINC000014175217 |
1 | C15 H29 N O4 | InChI=1S/C15H29NO4/c1-2-3 -4-5-6-7-8-16-12-9-11(10- 17)13(18)15(20)14(12)19/h 9,12-20H,2-8,10H2,1H3/t12 -,13-,14+,15+/m1/s1; UPZUHYMBTUUPML-KBXIAJHMSA-N |
OC1C(=CC(NCCCCCCCC)C(O)C1O)CO; CCCCCCCCN [CH]1C=C(CO)[CH](O)[CH](O)[CH]1O; CCCCCC CCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1 O; CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H ]1O)O)O)CO; CCCCCCCCNC1C=C(C(C(C1O)O)O)C O |
(1S,2S,3R,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol |
| 35849 | OEW | 1 | C30 H43 N5 O7 | InChI=1S/C30H43N5O7/c1-30 (2,3)42-29(41)34-21-10-7- 15-35(28(21)40)23(16-18-8 -5-4-6-9-18)26(38)33-22(1 7-19-13-14-31-25(19)37)24 (36)27(39)32-20-11-12-20/ h7,10,14-15,18-20,22-24,3 6H,4-6,8-9,11-13,16-17H2, 1-3H3,(H,32,39)(H,33,38)( H,34,41)/t19-,22-,23-,24+ /m0/s1; SFLPCGWJLKRMNL-ZNEWLNCYSA-N |
CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2C CCCC2)C(=O)N[C@@H](C[C@@H]3CC=NC3=O)[C@H ](C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN (C1=O)C(CC2CCCCC2)C(=O)NC(CC3CC=NC3=O)C( C(=O)NC4CC4)O; CC(C)(C)OC(=O)NC1=CC=CN([ CH](CC2CCCCC2)C(=O)N[CH](C[CH]3CC=NC3=O) [CH](O)C(=O)NC4CC4)C1=O; CC(C)(C)OC(=O)N C1=CC=CN([C@@H](CC2CCCCC2)C(=O)N[C@@H](C [C@@H]3CC=NC3=O)[C@@H](O)C(=O)NC4CC4)C1= O |
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate; Tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate |
| 35850 | OEX | 532 | Ca Mn4 O5 | InChI=1S/Ca.4Mn.5O; SEXWDHMBWJEXOJ-UHFFFAOYSA-N |
O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@] 456; O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O [Mn]456; O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4 [Mn]36; O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O @@]6[Mn]5[O@]4[Mn]36 |
CA-MN4-O5 CLUSTER |
| 35851 | OEY | 111 | Ca Mn4 O6 | InChI=1S/Ca.4Mn.O2.4O/c;; ;;;1-2;;;;/q;;;;+1;-1;;;;; VXLJVOKMVCJEPF-UHFFFAOYSA-N |
O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3; O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3; O1 [Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3 |
CA-MN4-O6 CLUSTER |
| 35852 | OEZ | 1 | C21 H21 N3 O3 | InChI=1S/C21H21N3O3/c1-13 (25)18-12-17(20-22-9-4-10 -24(18)20)16-11-14(7-8-19 (16)27-2)21(26)23-15-5-3- 6-15/h4,7-12,15H,3,5-6H2, 1-2H3,(H,23,26); ZVDRWJICVNPHJL-UHFFFAOYSA-N |
COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC 4CCC4; CC(=O)c1cc(c2n1cccn2)c3cc(ccc3OC) C(=O)NC4CCC4 |
~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide |
| 35853 | OF1 | 0 | Fe H2 O | InChI=1/Fe.H2O/h;1H2/q+2; /rFeH2O/c1-2/h2H2/q+2; ITHCMTBUBRIKKJ-VLFFPDBTAW |
[OH2][Fe+2]; O|[Fe++] | FERROUS ION, 1 WATER COORDINATED |
| 35854 | OF2 | 0 | Fe2 O | InChI=1/2Fe.O/q2*+3;/rFe2 O/c1-3-2/q+6; PNEJPKDVTTUZDF-XKASHAQCAK |
O([Fe+3])[Fe+3]; [Fe+3]O[Fe+3] | 2 FERRIC ION, 1 BRIDGING OXYGEN |
| 35855 | OF3 | 0 | Fe H2 O | InChI=1/Fe.H2O/h;1H2/q+3; /rFeH2O/c1-2/h2H2/q+3; NJWYTAHMQKIIQQ-HKNNVPFLAS |
[OH2][Fe+3]; O|[Fe+3] | FERRIC ION, 1 WATER COORDINATED |
| 35856 | OF4 CHEMBL4570248 |
5 | C22 H19 N5 O4 | InChI=1S/C22H19N5O4/c23-2 2-26-18-17(20(29)27-22)15 (11-24-18)9-12-5-7-13(8-6 -12)19(28)25-10-14-3-1-2- 4-16(14)21(30)31/h1-8,11H ,9-10H2,(H,25,28)(H,30,31 )(H4,23,24,26,27,29); BBGUOTHUKQSSGG-UHFFFAOYSA-N |
c1ccc(c(c1)CNC(=O)c2ccc(cc2)Cc3c[nH]c4c3 C(=O)NC(=N4)N)C(=O)O; NC1=Nc2[nH]cc(Cc3c cc(cc3)C(=O)NCc4ccccc4C(O)=O)c2C(=O)N1; c1cc(ccc1C(NCc2ccccc2C(O)=O)=O)Cc3c4c(nc 3)N=C(NC4=O)N |
2-[({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)methyl]benzoic acid |
| 35857 | OF5 | 3 | C17 H16 N2 O3 | InChI=1S/C17H16N2O3/c1-11 (20)15-10-14(17-18-7-4-8- 19(15)17)13-9-12(21-2)5-6 -16(13)22-3/h4-10H,1-3H3; VNCOLZXZXMUDIT-UHFFFAOYSA-N |
COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O; C C(=O)c1cc(c2n1cccn2)c3cc(ccc3OC)OC |
1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
| 35858 | OF6 ZINC000012370330 |
1 | C11 H11 Cl N2 S | InChI=1S/C11H11ClN2S/c1-1 3-6-10-7-15-11(14-10)8-3- 2-4-9(12)5-8/h2-5,7,13H,6 H2,1H3; YHQACXKNKUPSSA-UHFFFAOYSA-N |
CNCc1csc(n1)c2cccc(Cl)c2; CNCc1csc(n1)c2 cccc(c2)Cl |
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine; 1-(2-(3-chlorophenyl)thiazol-4-yl)-N-methylmethanamine |
| 35859 | OF7 CHEMBL4447254 |
9 | C22 H19 N5 O4 | InChI=1S/C22H19N5O4/c23-2 2-26-19-18(21(31)27-22)15 (11-24-19)9-12-5-7-13(8-6 -12)20(30)25-16-4-2-1-3-1 4(16)10-17(28)29/h1-8,11H ,9-10H2,(H,25,30)(H,28,29 )(H4,23,24,26,27,31); NCEMLZMBZDJVMM-UHFFFAOYSA-N |
NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C C(O)=O)c2C(=O)N1; c1ccc(c(c1)CC(=O)O)NC( =O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N; N1=C(NC(=O)c2c1ncc2Cc3ccc(cc3)C(=O)Nc4cc ccc4CC(=O)O)N |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid |
| 35860 | OF8 | 2 | C14 H11 N3 O | InChI=1S/C14H11N3O/c1-10( 18)13-9-11(12-5-2-3-6-15- 12)14-16-7-4-8-17(13)14/h 2-9H,1H3; LNUJODOPWTZPCA-UHFFFAOYSA-N |
CC(=O)c1cc(c2n1cccn2)c3ccccn3; CC(=O)c1c c(c2ccccn2)c3ncccn13 |
1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
| 35861 | OF9 | 3 | C28 H32 F4 N4 O4 | InChI=1S/C28H32F4N4O4/c29 -27(30)11-9-19(10-12-27)2 6(40)36-17-28(31,32)15-22 (36)24(38)35-21(14-18-6-2 -1-3-7-18)23(37)25(39)34- 16-20-8-4-5-13-33-20/h1-8 ,13,19,21-23,37H,9-12,14- 17H2,(H,34,39)(H,35,38)/t 21-,22-,23+/m1/s1; QXLYQUMSFSBBGE-ZLNRFVROSA-N |
O[C@@H]([C@@H](Cc1ccccc1)NC(=O)[C@H]2CC( F)(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4ccc cn4; c1ccc(cc1)CC(C(C(=O)NCc2ccccn2)O)NC (=O)C3CC(CN3C(=O)C4CCC(CC4)(F)F)(F)F; c1 ccc(cc1)C[C@H]([C@@H](C(=O)NCc2ccccn2)O) NC(=O)[C@H]3CC(CN3C(=O)C4CCC(CC4)(F)F)(F )F; O[CH]([CH](Cc1ccccc1)NC(=O)[CH]2CC(F )(F)CN2C(=O)C3CCC(F)(F)CC3)C(=O)NCc4cccc n4 |
(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide |
| 35862 | OFB ZINC000584905682 |
2 | C24 H19 F O6 S | InChI=1S/C24H19FO6S/c25-1 6-2-1-3-19(12-16)31-32(28 ,29)21-13-20-22(14-4-8-17 (26)9-5-14)23(24(21)30-20 )15-6-10-18(27)11-7-15/h1 -12,20-21,24,26-27H,13H2/ t20-,21+,24+/m0/s1; PJRYBICUCUOQQX-YZUZCNPQSA-N |
Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S] (=O)(=O)Oc4cccc(F)c4)c5ccc(O)cc5; c1cc(c c(c1)F)OS(=O)(=O)C2CC3C(=C(C2O3)c4ccc(cc 4)O)c5ccc(cc5)O; Oc1ccc(cc1)C2=C([CH]3O[ CH]2C[CH]3[S](=O)(=O)Oc4cccc(F)c4)c5ccc( O)cc5; c1(O)ccc(cc1)C2=C(C3OC2CC3S(=O)(O c4cccc(c4)F)=O)c5ccc(cc5)O; c1cc(cc(c1)F )OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3) c4ccc(cc4)O)c5ccc(cc5)O |
3-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate |
| 35863 | OFC | 0 | C9 H13 F N3 O7 P | InChI=1S/C9H13FN3O7P/c10- 6-7(14)4(3-19-21(16,17)18 )20-8(6)13-2-1-5(11)12-9( 13)15/h1-2,4,6-8,14H,3H2, (H2,11,12,15)(H2,16,17,18 )/t4-,6-,7-,8-/m0/s1; KTAATIGPZHTGOP-PSQAKQOGSA-N |
NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)= O)[CH](O)[CH]2F; C1=CN(C(=O)N=C1N)C2C(C( C(O2)COP(=O)(O)O)O)F; O=P(O)(O)OCC1OC(N2 C=CC(N)=NC2=O)C(F)C1O; C1=CN(C(=O)N=C1N) [C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)(O)O )O)F; NC1=NC(=O)N(C=C1)[C@H]2O[C@@H](CO[ P](O)(O)=O)[C@H](O)[C@@H]2F |
4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one |
| 35864 | OFD CHEMBL4579109 |
6 | C23 H18 N6 O4 | InChI=1S/C23H18N6O4/c24-1 0-13-3-6-15(9-18(30)31)17 (8-13)27-21(32)14-4-1-12( 2-5-14)7-16-11-26-20-19(1 6)22(33)29-23(25)28-20/h1 -6,8,11H,7,9H2,(H,27,32)( H,30,31)(H4,25,26,28,29,3 3); ZVNRPTCYZJBJNB-UHFFFAOYSA-N |
O=C1c2c(N=C(N1)N)ncc2Cc3ccc(cc3)C(=O)Nc4 cc(ccc4CC(=O)O)C#N; NC1=Nc2[nH]cc(Cc3ccc (cc3)C(=O)Nc4cc(ccc4CC(O)=O)C#N)c2C(=O)N 1; c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C( =O)Nc4cc(ccc4CC(=O)O)C#N |
[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanophenyl]acetic acid |
| 35865 | OFE | 40 | Fe O | InChI=1S/Fe.O; UQSXHKLRYXJYBZ-UHFFFAOYSA-N |
O=[Fe]; [Fe]=O | Iron(II) oxide; ferrous oxide |
| 35866 | OFF CHEMBL1234956 DB08322 ZINC000013339564 |
1 | C23 H20 O10 | InChI=1S/C23H20O10/c24-16 -7-1-14(2-8-16)5-11-20(28 )32-18(13-19(26)27)22(23( 30)31)33-21(29)12-6-15-3- 9-17(25)10-4-15/h1-12,18, 22,24-25H,13H2,(H,26,27)( H,30,31)/b11-5+,12-6+/t18 -,22+/m0/s1; VJLMRHSHSNLOGC-NOPZTHQXSA-N |
O=C(O)C(OC(=O)\C=C\c1ccc(O)cc1)C(OC(=O)/ C=C/c2ccc(O)cc2)CC(=O)O; OC(=O)C[C@H](OC (=O)/C=C/c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c 2ccc(O)cc2)C(O)=O; OC(=O)C[CH](OC(=O)C=C c1ccc(O)cc1)[CH](OC(=O)C=Cc2ccc(O)cc2)C( O)=O; c1cc(ccc1C=CC(=O)OC(CC(=O)O)C(C(=O )O)OC(=O)C=Cc2ccc(cc2)O)O; c1cc(ccc1\C=C \C(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O )\C=C\c2ccc(cc2)O)O |
2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]-L-THREO-PENTARIC ACID; 2,3-BIS((E)-3-(4-HYDROXYPHENYL)ACRYLOYLOXY)PENTANEDIOIC ACID |
| 35867 | OFG CHEMBL3128074 ZINC000095921382 |
1 | C19 H18 F N7 O | InChI=1S/C19H18FN7O/c1-11 -16(10-23-26-11)13-7-18(1 9(21)22-9-13)28-12(2)15-8 -14(20)3-4-17(15)27-24-5- 6-25-27/h3-10,12H,1-2H3,( H2,21,22)(H,23,26)/t12-/m 1/s1; PYGCMVOPOMFFCX-GFCCVEGCSA-N |
C[CH](Oc1cc(cnc1N)c2c[nH]nc2C)c3cc(F)ccc 3n4nccn4; C[C@@H](Oc1cc(cnc1N)c2c[nH]nc2 C)c3cc(F)ccc3n4nccn4; Cc1c(c[nH]n1)c2cc( c(nc2)N)OC(C)c3cc(ccc3n4nccn4)F; Cc1c(c[ nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4n ccn4)F; Fc1cc(c(cc1)n2nccn2)C(Oc4cc(c3cn nc3C)cnc4N)C |
3-[(1R)-1-[5-fluoranyl-2-(1,2,3-triazol-2-yl)phenyl]ethoxy]-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine |
| 35868 | OFH | 5 | C23 H24 Cl F6 N3 O5 S | InChI=1S/C23H24ClF6N3O5S/ c1-12(22(25,26)27)38-13-2 -3-17(15(24)8-13)39(36,37 )14-9-16(18(34)32-20(11-3 1)4-5-20)33(10-14)19(35)2 1(6-7-21)23(28,29)30/h2-3 ,8,11-12,14,16,31H,4-7,9- 10H2,1H3,(H,32,34)/b31-11 +/t12-,14+,16-/m0/s1; FXRUMLCPKBCVCA-YDWYZIHQSA-N |
[H]/N=C/C1(CC1)NC(=O)[C@@H]2C[C@H](CN2C( =O)C3(CC3)C(F)(F)F)S(=O)(=O)c4ccc(cc4Cl) O[C@@H](C)C(F)(F)F; CC(C(F)(F)F)Oc1ccc(c (c1)Cl)S(=O)(=O)C2CC(N(C2)C(=O)C3(CC3)C( F)(F)F)C(=O)NC4(CC4)C=N; C[C@H](Oc1ccc(c (Cl)c1)[S](=O)(=O)[C@@H]2C[C@H](N(C2)C(= O)C3(CC3)C(F)(F)F)C(=O)NC4(CC4)C=N)C(F)( F)F; O=S(=O)(c1ccc(OC(C)C(F)(F)F)cc1Cl)C 4CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C3(C(F)( F)F)CC3)C4; C[CH](Oc1ccc(c(Cl)c1)[S](=O) (=O)[CH]2C[CH](N(C2)C(=O)C3(CC3)C(F)(F)F )C(=O)NC4(CC4)C=N)C(F)(F)F |
(4R)-4-[(2-chloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}phenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-L-prolinamide |
| 35869 | OFI CHEMBL1082237 ZINC000044460258 |
1 | C17 H17 N3 O2 | InChI=1S/C17H17N3O2/c1-2- 3-16(22)18-17-14-9-6-12(1 0-15(14)19-20-17)11-4-7-1 3(21)8-5-11/h4-10,21H,2-3 H2,1H3,(H2,18,19,20,22); VCIZMGNKKFEEHA-UHFFFAOYSA-N |
CCCC(=O)Nc1n[nH]c2cc(ccc12)c3ccc(O)cc3; CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O |
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide |
| 35870 | OFJ CHEMBL4454174 |
5 | C22 H18 N6 O5 | InChI=1S/C22H18N6O5/c23-1 7(29)12-5-6-14(21(32)33)1 5(8-12)26-19(30)11-3-1-10 (2-4-11)7-13-9-25-18-16(1 3)20(31)28-22(24)27-18/h1 -6,8-9H,7H2,(H2,23,29)(H, 26,30)(H,32,33)(H4,24,25, 27,28,31); ZFQOKUXSWWJOFS-UHFFFAOYSA-N |
NC(=O)c1ccc(C(O)=O)c(NC(=O)c2ccc(Cc3c[nH ]c4N=C(N)NC(=O)c34)cc2)c1; c14c(c(cn1)Cc 2ccc(cc2)C(Nc3c(C(=O)O)ccc(C(N)=O)c3)=O) C(NC(=N4)N)=O; c1cc(ccc1Cc2c[nH]c3c2C(=O )NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)N |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-carbamoylbenzoic acid |
| 35871 | OFK | 2 | C15 H12 N2 O | InChI=1S/C15H12N2O/c1-11( 18)14-10-13(12-6-3-2-4-7- 12)15-16-8-5-9-17(14)15/h 2-10H,1H3; FPBCLTMMKANZAZ-UHFFFAOYSA-N |
CC(=O)c1cc(c2n1cccn2)c3ccccc3; CC(=O)c1c c(c2ccccc2)c3ncccn13 |
1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone |
| 35872 | OFL DB02179 ZINC000002046924 |
1 | C14 H10 F3 N O2 | InChI=1S/C14H10F3NO2/c15- 14(16,17)10-6-2-4-8-12(10 )18-11-7-3-1-5-9(11)13(19 )20/h1-8,18H,(H,19,20); ONKHJNFXJDEMNQ-UHFFFAOYSA-N |
FC(F)(F)c2ccccc2Nc1c(C(=O)O)cccc1; c1ccc (c(c1)C(=O)O)Nc2ccccc2C(F)(F)F; OC(=O)c1 ccccc1Nc2ccccc2C(F)(F)F |
O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID |
| 35873 | OFM ZINC000098209262 |
0 | C24 H24 N4 O6 | InChI=1S/C24H24N4O6/c1-14 -21(27-24(33,34-14)19(25) 12-15-5-3-2-4-6-15)22-26- 18(23(32)28(22)13-20(30)3 1)11-16-7-9-17(29)10-8-16 /h2-11,14,19,29,33H,12-13 ,25H2,1H3,(H,30,31)/b18-1 1-/t14-,19+,24-/m1/s1; WUYHWZHRZZMOJP-MQDAGFNLSA-N |
C[C@@H]1C(=N[C@](O1)([C@H](Cc2ccccc2)N)O )C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O; C[CH]1O[C](O)(N=C1C2=NC(=Cc3ccc(O)cc3)C( =O)N2CC(O)=O)[CH](N)Cc4ccccc4; CC1C(=NC( O1)(C(Cc2ccccc2)N)O)C3=NC(=Cc4ccc(cc4)O) C(=O)N3CC(=O)O; C[C@H]1O[C@@](O)(N=C1C2= N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O)[C@@H] (N)Cc4ccccc4; O=C(O)CN2C(=N/C(=C\c1ccc(O )cc1)C2=O)C3=NC(O)(OC3C)C(N)Cc4ccccc4 |
[(4Z)-2-{(2R,5R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene )-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 35874 | OFN | 2 | C41 H72 N7 O18 P3 S | InChI=1S/C41H72N7O18P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-18-19-29(49) 24-32(51)70-23-22-43-31(5 0)20-21-44-39(54)36(53)41 (2,3)26-63-69(60,61)66-68 (58,59)62-25-30-35(65-67( 55,56)57)34(52)40(64-30)4 8-28-47-33-37(42)45-27-46 -38(33)48/h27-28,30,34-36 ,40,52-53H,4-26H2,1-3H3,( H,43,50)(H,44,54)(H,58,59 )(H,60,61)(H2,42,45,46)(H 2,55,56,57)/t30-,34-,35-, 36+,40-/m1/s1; FYBVHNZJDVUVLJ-IBYUJNRCSA-N |
CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCN C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(= O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O) OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O) =O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCC( =O)CC(=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 CCCCCCCCCCCCCCCCC(=O)CC(=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)n2cnc3c2ncnc 3N)O)OP(=O)(O)O)O |
~{S}-[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]ethyl] 3-oxidanylideneicosanethioate |
| 35875 | OFO | 7 | Fe2 H O2 | InChI=1S/2Fe.H2O.O/h;;1H2 ;/q;+1;;/p-1; HLBQEWFJZLSCMX-UHFFFAOYSA-M |
O[Fe]O[Fe] | HYDROXY DIIRON-OXO MOIETY |
| 35876 | OFQ | 2 | C11 H19 N O | InChI=1S/C11H19NO/c12-11( 6-13)9-2-7-1-8(4-9)5-10(1 1)3-7/h7-10,13H,1-6,12H2/ t7-,8+,9-,10+,11-; JNAKWHJSIJOZFK-HQUNYVMJSA-N |
NC1(CO)C2CC3CC(C2)CC1C3; C1C2CC3CC1CC(C2 )C3(CO)N |
(2-azanyl-2-adamantyl)methanol |
| 35877 | OFR | 2 | C21 H23 N3 O4 | InChI=1S/C21H23N3O4/c1-5- 11-28-20(26)15-13(4)22-18 -17(19(25)23-21(27)24(18) 6-2)16(15)14-9-7-12(3)8-1 0-14/h5,7-10,16,22H,1,6,1 1H2,2-4H3,(H,23,25,27)/t1 6-/m1/s1; WWSMMSQOAGMCFL-MRXNPFEDSA-N |
O=C(OCC=C)C1=C(C)NC2=C(C1c1ccc(C)cc1)C(= O)NC(=O)N2CC; CCN1C2=C([C@@H](C(=C(N2)C) C(=O)OCC=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C (=O)NC(=O)C2=C1NC(=C([CH]2c3ccc(C)cc3)C( =O)OCC=C)C; CCN1C2=C(C(C(=C(N2)C)C(=O)OC C=C)c3ccc(cc3)C)C(=O)NC1=O; CCN1C(=O)NC( =O)C2=C1NC(=C([C@H]2c3ccc(C)cc3)C(=O)OCC =C)C |
prop-2-en-1-yl (5S)-1-ethyl-7-methyl-5-(4-methylphenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate |
| 35878 | OFT ZINC000095921240 |
2 | C20 H20 N4 O4 S | InChI=1S/C20H20N4O4S/c1-3 -24(4-2)29(27,28)12-9-10- 16-14(11-12)17(20(25)22-1 6)19-18(23-26)13-7-5-6-8- 15(13)21-19/h5-11,21,26H, 3-4H2,1-2H3,(H,22,25)/b19 -17-,23-18+; ZZYLNEHSVPINPK-LCLDVOFVSA-N |
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=C3C(=NO)c4 ccccc4N3)C(=O)N2; CCN(CC)S(=O)(=O)c1ccc2 c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 ; CCN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C3Nc4 ccccc4C3=NO)c2c1; O=S(=O)(c1cc\2c(cc1)NC (=O)C/2=C4\C(=N\O)\c3ccccc3N4)N(CC)CC; C CN(CC)[S](=O)(=O)c1ccc2NC(=O)C(=C/3Nc4cc ccc4C/3=N/O)/c2c1 |
(3Z)-N,N-diethyl-3-[(3E)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
| 35879 | OFU | 5 | C23 H28 N7 O2 S | InChI=1S/C23H27N7O2S/c1-1 3(15-6-5-11-30(15)3)31-17 -8-10-26-20(27-17)21-28-2 2(32-29-21)23(2)9-4-7-16- 18(23)14(12-24)19(25)33-1 6/h8,10,13,15H,4-7,9,11,2 5H2,1-3H3/p+1/t13-,15-,23 -/m0/s1; MIUFORKWYHBPRW-HMFCALDFSA-O |
CC(C1CCC[NH+]1C)Oc2ccnc(n2)c3nc(on3)C4(C CCc5c4c(c(s5)N)C#N)C; C[C@@H]([C@@H]1CCC [NH+]1C)Oc2ccnc(n2)c3nc(on3)[C@]4(CCCc5c 4c(c(s5)N)C#N)C; C[C@H](Oc1ccnc(n1)c2noc (n2)[C@@]3(C)CCCc4sc(N)c(C#N)c34)[C@@H]5 CCC[NH+]5C; C[CH](Oc1ccnc(n1)c2noc(n2)[C ]3(C)CCCc4sc(N)c(C#N)c34)[CH]5CCC[NH+]5C |
(4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile |
| 35880 | OFW | 1 | C26 H35 N5 O6 S | InChI=1S/C26H35N5O6S/c1-2 5(24(34)29-14-26(27)18-9- 16-8-17(11-18)12-19(26)10 -16)15-30(6-7-37-25)38(35 ,36)20-2-3-21(28-13-20)31 -22(32)4-5-23(31)33/h2-3, 13,16-19H,4-12,14-15,27H2 ,1H3,(H,29,34)/t16-,17+,1 8-,19+,25-,26-/m1/s1; ATTLLTNWPUGOFW-CBZUIJCKSA-N |
C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(= O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C C1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC 3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N; C[C]1( CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3 =O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6; C[C@@]1 (CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC 3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6 |
(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide |
| 35881 | OFX | 1 | C20 H21 N7 O | InChI=1S/C20H21N7O/c1-25( 2)16-7-9-17(10-8-16)26(13 -15-11-12-21-22-15)20(28) 14-27-19-6-4-3-5-18(19)23 -24-27/h3-12H,13-14H2,1-2 H3,(H,21,22); NAUKDTRKBNSCDS-UHFFFAOYSA-N |
O=C(Cn1nnc2ccccc21)N(Cc1ccn[NH]1)c1ccc(c c1)N(C)C; CN(C)c1ccc(cc1)N(Cc2[nH]ncc2)C (=O)Cn3nnc4ccccc34; CN(C)c1ccc(cc1)N(Cc2 ccn[nH]2)C(=O)Cn3c4ccccc4nn3 |
2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide |
| 35882 | OFZ | 1 | C14 H25 N3 | InChI=1S/C14H25N3/c1-2-16 -14(15)17-8-13-11-4-9-3-1 0(6-11)7-12(13)5-9/h9-13H ,2-8H2,1H3,(H3,15,16,17)/ t9-,10+,11-,12+,13-; GKPMCHKJTWWYLH-FOPUMGAHSA-N |
CCNC(=N)NCC1C2CC3CC(C2)CC1C3; [H]/N=C(\N CC)/NCC1C2CC3CC(C2)CC1C3 |
1-(2-adamantylmethyl)-3-ethyl-guanidine |
| 35883 | OG0 | 1 | C22 H26 N6 O2 | InChI=1S/C22H26N6O2/c1-23 -20(29)14-8-10-16(11-9-14 )25-22-24-13-15-12-18(21( 30)27(2)3)28(19(15)26-22) 17-6-4-5-7-17/h8-13,17H,4 -7H2,1-3H3,(H,23,29)(H,24 ,25,26); XIUNGGKWWZDBSL-UHFFFAOYSA-N |
CNC(=O)c1ccc(cc1)Nc2ncc3cc(n(c3n2)C4CCCC 4)C(=O)N(C)C; CNC(=O)c1ccc(cc1)Nc1ncc2cc (C(=O)N(C)C)n(c2n1)C1CCCC1; CNC(=O)c1ccc (Nc2ncc3cc(n(C4CCCC4)c3n2)C(=O)N(C)C)cc1 |
7-cyclopentyl-N,N-dimethyl-2-[4-(methylcarbamoyl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
| 35884 | OG1 CHEMBL4565065 |
5 | C22 H16 N6 O4 | InChI=1S/C22H16N6O4/c23-9 -12-3-6-15(21(31)32)16(8- 12)26-19(29)13-4-1-11(2-5 -13)7-14-10-25-18-17(14)2 0(30)28-22(24)27-18/h1-6, 8,10H,7H2,(H,26,29)(H,31, 32)(H4,24,25,27,28,30); MEWIMDIPLNOYGN-UHFFFAOYSA-N |
c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O) Nc4cc(ccc4C(=O)O)C#N; c14c(c(cn1)Cc2ccc( cc2)C(Nc3cc(ccc3C(=O)O)C#N)=O)C(=O)NC(=N 4)N; NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4cc (ccc4C(O)=O)C#N)c2C(=O)N1 |
2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-cyanobenzoic acid |
| 35885 | OG2 | 1 | C13 H23 N3 | InChI=1S/C13H23N3/c1-2-15 -12(14)16-13-6-9-3-10(7-1 3)5-11(4-9)8-13/h9-11H,2- 8H2,1H3,(H3,14,15,16)/t9- ,10+,11-,13-; VGBFQSVFIIHEDN-DNSLJTBWSA-N |
CCNC(=N)NC12CC3CC(C1)CC(C3)C2; [H]/N=C(\ NCC)/NC12CC3CC(C1)CC(C3)C2; CCNC(=N)NC12 CC3CC(CC(C3)C1)C2 |
1-(1-adamantyl)-3-ethyl-guanidine |
| 35886 | OG3 ZINC000002047916 |
1 | C8 H10 Cl N | InChI=1S/C8H10ClN/c1-6(10 )7-2-4-8(9)5-3-7/h2-6H,10 H2,1H3/t6-/m1/s1; PINPOEWMCLFRRB-ZCFIWIBFSA-N |
C[C@H](c1ccc(cc1)Cl)N; C[C@@H](N)c1ccc(C l)cc1; C[CH](N)c1ccc(Cl)cc1; CC(c1ccc(cc 1)Cl)N |
(1~{R})-1-(4-chlorophenyl)ethanamine; (R)-1-(4-chlorophenyl)ethan-1-amine |
| 35887 | OG4 CHEMBL4465849 |
5 | C23 H21 N5 O4 | InChI=1S/C23H21N5O4/c24-2 3-27-20-19(22(32)28-23)16 (12-25-20)11-13-5-7-15(8- 6-13)21(31)26-17-4-2-1-3- 14(17)9-10-18(29)30/h1-8, 12H,9-11H2,(H,26,31)(H,29 ,30)(H4,24,25,27,28,32); PABYCMRDFQGQKT-UHFFFAOYSA-N |
NC1=Nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc4ccccc4C CC(O)=O)c2C(=O)N1; c14c(C(=O)NC(=N1)N)c( Cc2ccc(cc2)C(Nc3ccccc3CCC(O)=O)=O)cn4; c 1ccc(c(c1)CCC(=O)O)NC(=O)c2ccc(cc2)Cc3c[ nH]c4c3C(=O)NC(=N4)N |
3-[2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]propanoic acid |
| 35888 | OG5 | 1 | C29 H35 N5 O5 S | InChI=1S/C29H35N5O5S/c30- 29(21-11-18-10-19(13-21)1 4-22(29)12-18)17-32-26(35 )15-24(20-4-2-1-3-5-20)33 -40(38,39)23-6-7-25(31-16 -23)34-27(36)8-9-28(34)37 /h1-7,16,18-19,21-22,24,3 3H,8-15,17,30H2,(H,32,35) /t18-,19+,21-,22+,24-,29- /m1/s1; ZHYURJLGEWNOMP-HCCACUNUSA-N |
NC1(CNC(=O)C[C@@H](N[S](=O)(=O)c2ccc(nc2 )N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6 ; c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3 )CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6 =O; NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(n c2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1 C6; c1ccc(cc1)C(CC(=O)NCC2(C3CC4CC(C3)CC 2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O |
(3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide |
| 35889 | OG6 ZINC000039953727 |
11 | C5 H6 N2 O4 | InChI=1S/C5H6N2O4/c8-3-1- 2(4(9)10)6-5(11)7-3/h1,4, 9-10H,(H2,6,7,8,11); DUGHQFVNXIWPEA-UHFFFAOYSA-N |
OC(O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1=O )C(O)O |
6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione; 6-Formyl-uracil hydrate |
| 35890 | OG7 CHEMBL4536417 |
8 | C21 H17 N5 O4 | InChI=1S/C21H17N5O4/c22-2 1-25-17-16(19(28)26-21)13 (10-23-17)9-11-5-7-12(8-6 -11)18(27)24-15-4-2-1-3-1 4(15)20(29)30/h1-8,10H,9H 2,(H,24,27)(H,29,30)(H4,2 2,23,25,26,28); NQGAZNWSUPTLIO-UHFFFAOYSA-N |
NC1=NC(=O)c2c(Cc3ccc(cc3)C(=O)Nc4ccccc4C (O)=O)c[nH]c2N1; c1ccc(c(c1)C(=O)O)NC(=O )c2ccc(cc2)Cc3c[nH]c4c3C(=O)N=C(N4)N; c1 cc(ccc1C(Nc2ccccc2C(=O)O)=O)Cc4c3c(NC(=N C3=O)N)nc4 |
2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid |
| 35891 | OG8 | 1 | C12 H21 N3 | InChI=1S/C12H21N3/c13-11( 14)15-7-12-4-8-1-9(5-12)3 -10(2-8)6-12/h8-10H,1-7H2 ,(H4,13,14,15)/t8-,9+,10- ,12-; GAYYIZMRYZOIJI-GOCCLTDMSA-N |
C1C2CC3CC1CC(C2)(C3)CNC(=N)N; [H]/N=C(\N )/NCC12CC3CC(C1)CC(C3)C2; NC(=N)NCC12CC3 CC(CC(C3)C1)C2 |
1-(1-adamantylmethyl)guanidine |
| 35892 | OG9 ZINC000000395527 |
0 | C18 H12 O2 | InChI=1S/C18H12O2/c19-16( 20)10-14-7-6-13-5-4-11-2- 1-3-12-8-9-15(14)18(13)17 (11)12/h1-9H,10H2,(H,19,2 0); SDJCLYBBPUHKCD-UHFFFAOYSA-N |
c1cc2ccc3ccc(c4c3c2c(c1)cc4)CC(=O)O; O=C (O)Cc1ccc2ccc3cccc4ccc1c2c34; OC(=O)Cc1c cc2ccc3cccc4ccc1c2c34 |
(pyren-1-yl)acetic acid |
| 35893 | OGA CHEMBL90852 ZINC000001534133 |
20 | C4 H5 N O5 | InChI=1S/C4H5NO5/c6-2(7)1 -5-3(8)4(9)10/h1H2,(H,5,8 )(H,6,7)(H,9,10); BIMZLRFONYSTPT-UHFFFAOYSA-N |
OC(=O)CNC(=O)C(O)=O; O=C(O)C(=O)NCC(=O)O ; C(C(=O)O)NC(=O)C(=O)O |
N-OXALYLGLYCINE |
| 35894 | OGB ZINC000001757562 |
1 | C11 H9 N O2 | InChI=1S/C11H9NO2/c1-14-1 1(13)10-4-2-3-8-7-12-6-5- 9(8)10/h2-7H,1H3; AYIKNXKAUAUIBW-UHFFFAOYSA-N |
COC(=O)c1cccc2c1ccnc2; COC(=O)c1cccc2cnc cc12 |
methyl isoquinoline-5-carboxylate |
| 35895 | OGC | 0 | C7 H11 N3 O3 | InChI=1S/C7H11N3O3/c1-10- 3-9-2-4(10)6(11)5(8)7(12) 13/h2-3,5-6,11H,8H2,1H3,( H,12,13)/t5-,6-/m1/s1; JEWWRPRBMRIIAC-PHDIDXHHSA-N |
Cn1cncc1[C@H]([C@H](C(=O)O)N)O; Cn1cncc1 [C@@H](O)[C@@H](N)C(O)=O; Cn1cncc1[CH](O )[CH](N)C(O)=O; Cn1cncc1C(C(C(=O)O)N)O |
gamma-N-methyl-beta-OH-histidine; (2~{R},3~{S})-2-azanyl-3-(3-methylimidazol-4-yl)-3-oxidanyl-propanoic acid; 3-(1H-imidazol-3-ium-4-yl)-L-alanine |
| 35896 | OGE ZINC000096013059 |
1 | C8 H10 Br N3 O2 | InChI=1S/C8H10BrN3O2/c9-6 -1-2-7(11-5-6)12-8(14)10- 3-4-13/h1-2,5,13H,3-4H2,( H2,10,11,12,14); DWHYNYBZZGQFNY-UHFFFAOYSA-N |
OCCNC(=O)Nc1ccc(Br)cn1; c1cc(ncc1Br)NC(= O)NCCO |
1-(5-bromanylpyridin-2-yl)-3-(2-hydroxyethyl)urea |
| 35897 | OGF | 1 | C21 H20 N6 O2 S | InChI=1S/C21H20N6O2S/c1-2 2-21(29)23-16-6-8-17(9-7- 16)26(12-15-10-11-30-14-1 5)20(28)13-27-19-5-3-2-4- 18(19)24-25-27/h2-11,14H, 12-13H2,1H3,(H2,22,23,29); VEPQAUCCEYXBOH-UHFFFAOYSA-N |
CNC(=O)Nc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3nnc 4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1ccsc1) c1ccc(NC(=O)NC)cc1; CNC(=O)Nc1ccc(cc1)N( Cc2ccsc2)C(=O)Cn3c4ccccc4nn3 |
2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |
| 35898 | OGG | 0 | C6 H12 N2 O4 | InChI=1S/C6H12N2O4/c7-5(9 )3-11-1-2-12-4-6(8)10/h1- 4H2,(H2,7,9)(H2,8,10); XEXSGNBDGFXDDF-UHFFFAOYSA-N |
C(COCC(=O)N)OCC(=O)N; NC(=O)COCCOCC(N)=O ; O=C(N)COCCOCC(=O)N |
2-(2-CARBAMOYLMETHOXY-ETHOXY)-ACETAMIDE |
| 35899 | OGH | 2 | C21 H21 F N8 O | InChI=1S/C21H21FN8O/c1-9- 25-5-11(6-26-9)31-21-28-1 9-16(12-3-10(22)4-15(24-2 )18(12)27-19)20(29-21)30- 7-13-14(8-30)17(13)23/h3- 6,13-14,17,24H,7-8,23H2,1 -2H3,(H,27,28,29)/t13-,14 +,17+; GOOKXTQTAFDVNH-HALDLXJZSA-N |
CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4)nc(N 5C[CH]6C(N)[CH]6C5)c23; Cc1ncc(cn1)Oc2nc 3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5CC6C(C5)C 6N; CNc1cc(F)cc2c1[nH]c3nc(Oc4cnc(C)nc4) nc(N5C[C@H]6C(N)[C@H]6C5)c23; Cc1ncc(cn1 )Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C @@H]6[C@H](C5)C6N |
4-[(1~{S},5~{R})-6-azanyl-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoranyl-~{N}-methyl-2-(2-methylpyrimidin-5-yl)oxy-9~{H}-pyrimido[4,5-b]indol-8-amine |
| 35900 | OGJ CHEMBL4447340 DB14934 |
2 | C28 H28 F N O4 | InChI=1S/C28H28FNO4/c1-18 -25-14-23(32)7-10-26(25)3 4-28(27(18)21-3-2-4-22(31 )13-21)20-5-8-24(9-6-20)3 3-12-11-30-16-19(15-29)17 -30/h2-10,13-14,19,28,31- 32H,11-12,15-17H2,1H3/t28 -/m0/s1; KJAAPZIFCQQQKX-NDEPHWFRSA-N |
CC1=C([CH](Oc2ccc(O)cc12)c3ccc(OCCN4CC(C F)C4)cc3)c5cccc(O)c5; CC1=C([C@@H](Oc2c1 cc(cc2)O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc( c5)O; CC1=C(C(Oc2c1cc(cc2)O)c3ccc(cc3)OC CN4CC(C4)CF)c5cccc(c5)O; C4(c2ccc(OCCN1C C(C1)CF)cc2)Oc3ccc(cc3C(=C4c5cccc(c5)O)C )O; CC1=C([C@@H](Oc2ccc(O)cc12)c3ccc(OCC N4CC(CF)C4)cc3)c5cccc(O)c5 |
(2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol |
| 35901 | OGK ZINC000058638469 |
16 | C18 H27 N O4 | InChI=1S/C18H27NO4/c1-3-1 0-7-13-12(5-6-15(13)20)14 (8-10)16(21)19-18(17(22)2 3)9-11(18)4-2/h10-14H,3-9 H2,1-2H3,(H,19,21)(H,22,2 3)/t10-,11+,12+,13+,14+,1 8+/m1/s1; YYTFHRRGIDEJIS-FNEQEMTHSA-N |
O=C(NC1(C(=O)O)CC1CC)C3CC(CC)CC2C(=O)CCC 23; CC[C@@H]1C[C@H]2[C@H](CCC2=O)[C@H](C 1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)O; CC[CH]1 C[CH]2[CH](CCC2=O)[CH](C1)C(=O)N[C]3(C[C H]3CC)C(O)=O; CC[C@@H]1C[C@H]2[C@H](CCC2 =O)[C@H](C1)C(=O)N[C@]3(C[C@@H]3CC)C(O)= O; CCC1CC2C(CCC2=O)C(C1)C(=O)NC3(CC3CC)C (=O)O |
(1S,2S)-2-ethyl-1-({[(3aS,4S,6R,7aS)-6-ethyl-1-oxooctahydro-1H-inden-4-yl]carbonyl}amino)cyclopropanecarboxylic acid; Coronatine |
| 35902 | OGM | 1 | C10 H17 N3 O3 | InChI=1S/C10H17N3O3/c1-16 -10(15)11-5-3-2-4-9-12-6- 8(7-14)13-9/h6,14H,2-5,7H 2,1H3,(H,11,15)(H,12,13); FLDJBEVUBLZUEF-UHFFFAOYSA-N |
COC(=O)NCCCCc1[nH]c(CO)cn1; COC(=O)NCCCC c1[nH]c(cn1)CO; COC(=O)NCCCCc1nc(CO)cn1 |
methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
| 35903 | OGN ZINC000044154749 |
2 | 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-UYZOWNTJSA-N |
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/C 1=N\OC(=O)Nc2ccccc2)CO)O)O; CC(=O)N[CH]1 [CH](O)[CH](O)[CH](CO)OC1=NOC(=O)Nc2cccc c2; O=C(O\N=C1/OC(CO)C(O)C(O)C1NC(=O)C)N c2ccccc2; CC(=O)N[C@@H]\1[C@@H](O)[C@@H] (O)[C@@H](CO)OC\1=N\OC(=O)Nc2ccccc2 |
[(Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate; Gal-PUGNAc |
| 35904 | OGO | 1 | C20 H18 N2 O4 | InChI=1S/C20H18N2O4/c1-25 -17-8-4-5-9-18(17)26-13-1 1-22(12-13)20(24)15-10-19 (23)21-16-7-3-2-6-14(15)1 6/h2-10,13H,11-12H2,1H3,( H,21,23); CEVTZHLIFCWJPO-UHFFFAOYSA-N |
COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc4cccc c34; COc1ccccc1OC2CN(C2)C(=O)C3=CC(=O)Nc 4c3cccc4; O=C(C1=CC(=O)Nc2ccccc21)N1CC(O c2ccccc2OC)C1 |
4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one |
| 35905 | OGQ | 1 | C33 H32 N3 O4 | InChI=1S/C33H31N3O4/c1-20 -6-8-21(9-7-20)19-34-32(3 7)22-10-13-25(33(38)39)28 (16-22)31-26-14-11-23(35( 2)3)17-29(26)40-30-18-24( 36(4)5)12-15-27(30)31/h6- 18H,19H2,1-5H3,(H-,34,37, 38,39)/p+1; VRTFWVCUZQBQCQ-UHFFFAOYSA-O |
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O )=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1; Cc1 ccc(cc1)CNC(=O)c2ccc(c(c2)C3=C4C=CC(=[N+ ](C)C)C=C4Oc5c3ccc(c5)N(C)C)C(=O)O |
[9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
| 35906 | OGR | 1 | C21 H25 N7 O2 | InChI=1S/C21H25N7O2/c1-22 -19(29)13-8-9-17(23-11-13 )25-21-24-12-14-10-16(20( 30)27(2)3)28(18(14)26-21) 15-6-4-5-7-15/h8-12,15H,4 -7H2,1-3H3,(H,22,29)(H,23 ,24,25,26); ZWAGHYMVHPAUMT-UHFFFAOYSA-N |
CNC(=O)c1ccc(Nc2ncc3cc(n(C4CCCC4)c3n2)C( =O)N(C)C)nc1; CNC(=O)c1ccc(nc1)Nc1ncc2cc (C(=O)N(C)C)n(c2n1)C1CCCC1; CNC(=O)c1ccc (nc1)Nc2ncc3cc(n(c3n2)C4CCCC4)C(=O)N(C)C |
7-cyclopentyl-N,N-dimethyl-2-{[5-(methylcarbamoyl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide |
| 35907 | OGS CHEMBL4086163 |
2 | C20 H32 O9 S | InChI=1S/C20H32O9S/c1-2-3 -4-5-6-7-8-14-9-11-15(12- 10-14)28-20-19(23)18(22)1 7(21)16(29-20)13-27-30(24 ,25)26/h9-12,16-23H,2-8,1 3H2,1H3,(H,24,25,26)/t16- ,17-,18+,19-,20+/m1/s1; YVWGSDRSYRDYCF-OBKDMQGPSA-N |
C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS( =O)(O)=O)O; CCCCCCCCc1ccc(O[CH]2O[CH](CO [S](O)(=O)=O)[CH](O)[CH](O)[CH]2O)cc1; C CCCCCCCc1ccc(O[C@H]2O[C@H](CO[S](O)(=O)= O)[C@@H](O)[C@H](O)[C@H]2O)cc1; CCCCCCCC c1ccc(cc1)OC2C(C(C(C(O2)COS(=O)(=O)O)O)O )O; CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@ H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O |
4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside |
| 35908 | OGT | 0 | C8 H16 O6 | InChI=1S/C8H16O6/c1-2-13- 8-7(12)6(11)5(10)4(3-9)14 -8/h4-12H,2-3H2,1H3; WYUFTYLVLQZQNH-UHFFFAOYSA-N |
CCOC1C(C(C(C(O1)CO)O)O)O; CCOC1OC(CO)C(O )C(O)C1O; CCO[C@@H]1[C@@H]([C@@H]([C@@H] ([C@H](O1)CO)O)O)O |
2-ETHOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL |
| 35909 | OGU ZINC000001695856 |
0 | C4 H8 O4 | InChI=1S/C4H8O4/c1-2(5)3( 6)4(7)8/h2-3,5-6H,1H3,(H, 7,8)/t2-,3+/m0/s1; LOUGYXZSURQALL-STHAYSLISA-N |
C[C@H](O)[C@@H](O)C(O)=O; CC(C(C(=O)O)O) O; C[C@@H]([C@H](C(=O)O)O)O; C[CH](O)[CH ](O)C(O)=O |
2,3-diOH-butyric acid; (2~{R},3~{S})-2,3-bis(oxidanyl)butanoic acid; (2R,3S)-2,3-dihydroxybutyric acid |
| 35910 | OGV | 1 | C14 H11 Cl N4 O | InChI=1S/C14H11ClN4O/c15- 11-5-3-4-10(8-11)9-13(20) 16-14-18-17-12-6-1-2-7-19 (12)14/h1-8H,9H2,(H,16,18 ,20); PICHRHZICCXQLR-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1nnc2ccccn21; c1ccn2 c(c1)nnc2NC(=O)Cc3cccc(c3)Cl; Clc1cccc(C C(=O)Nc2nnc3ccccn23)c1 |
2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide |
| 35911 | OGX ZINC000058649475 |
0 | C12 H19 N6 O7 P S | InChI=1S/C12H19N6O7PS/c13 -11-16-9-8(10(20)17-11)15 -12(21)18(9)7-3-5(19)6(25 -7)4-24-26(22,23)14-1-2-2 7/h5-7,19,27H,1-4H2,(H,15 ,21)(H2,14,22,23)(H3,13,1 6,17,20)/t5-,6+,7+/m0/s1; QTNBODRGZGXUEH-RRKCRQDMSA-N |
NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H]( CO[P](O)(=O)NCCS)O3)C(=O)N1; C1[C@@H]([C @H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO [P@](=O)(NCCS)O)O; NC1=NC2=C(NC(=O)N2[CH ]3C[CH](O)[CH](CO[P](O)(=O)NCCS)O3)C(=O) N1; C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O) COP(=O)(NCCS)O)O; O=P(O)(OCC3OC(N2C(=O)N C1=C2N=C(N)NC1=O)CC3O)NCCS |
2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine |
| 35912 | OGY | 4 | C13 H16 N2 O | InChI=1S/C13H16N2O/c16-10 -12-9-14-13(15-12)8-4-7-1 1-5-2-1-3-6-11/h1-3,5-6,9 ,16H,4,7-8,10H2,(H,14,15); YJBVUMXRLPWRCM-UHFFFAOYSA-N |
c1ccc(cc1)CCCc2[nH]cc(n2)CO; OCc1c[nH]c( CCCc2ccccc2)n1; c1(ccccc1)CCCc2ncc(CO)n2 |
[2-(3-phenylpropyl)-1H-imidazol-4-yl]methanol |
| 35913 | OGZ CHEMBL13024 ZINC000001841067 |
0 | C8 H8 F3 N | InChI=1S/C8H8F3N/c9-8(10, 11)7-3-1-2-6(4-7)5-12/h1- 4H,5,12H2; YKNZTUQUXUXTLE-UHFFFAOYSA-N |
c1cc(cc(c1)C(F)(F)F)CN; NCc1cccc(c1)C(F) (F)F |
[3-(trifluoromethyl)phenyl]methanamine |
| 35914 | OH DB14522 |
10 | H O | InChI=1S/H2O/h1H2/p-1; XLYOFNOQVPJJNP-UHFFFAOYSA-M |
[OH-] | HYDROXIDE ION |
| 35915 | OH0 | 5 | C10 H19 N O4 | InChI=1S/C10H19NO4/c1-2-3 -4-5-6-9(12)11(15)8-7-10( 13)14/h15H,2-8H2,1H3,(H,1 3,14); DOYDHAWEPMQVFZ-UHFFFAOYSA-N |
CCCCCCC(=O)N(O)CCC(O)=O; CCCCCCC(=O)N(CC C(=O)O)O; O=C(O)CCN(O)C(=O)CCCCCC |
N-heptanoyl-N-hydroxy-beta-alanine |
| 35916 | OH1 | 2 | C15 H19 N3 O2 | InChI=1S/C15H19N3O2/c19-1 1-13-10-17-14(18-13)8-4-5 -9-16-15(20)12-6-2-1-3-7- 12/h1-3,6-7,10,19H,4-5,8- 9,11H2,(H,16,20)(H,17,18); JCUWYBMNDMMIAC-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO; OCc1 c[nH]c(CCCCNC(=O)c2ccccc2)n1; C(NC(c1ccc cc1)=O)CCCc2ncc(CO)n2 |
N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide |
| 35917 | OH4 | 1 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-18 -13(11-5-3-2-4-6-11)7-8-1 4-15-9-12(10-17)16-14/h2- 6,9,13,17H,7-8,10H2,1H3,( H,15,16)/t13-/m0/s1; CXHFIZNFHVDWKU-ZDUSSCGKSA-N |
CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2; CO[C@@ H](CCc1[nH]cc(CO)n1)c2ccccc2; COC(CCc1[n H]cc(n1)CO)c2ccccc2; n2c(CCC(c1ccccc1)OC )nc(c2)CO; CO[C@@H](CCc1[nH]cc(n1)CO)c2c cccc2 |
{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol |
| 35918 | OH5 | 1 | C12 H17 N O2 | InChI=1S/C12H17NO2/c1-9(1 2(14)15)7-11(13)8-10-5-3- 2-4-6-10/h2-6,9,11H,7-8,1 3H2,1H3,(H,14,15)/t9-,11+ /m0/s1; TVHNWAKCVXFPNB-GXSJLCMTSA-N |
CC(CC(Cc1ccccc1)N)C(=O)O; C[CH](C[CH](N) Cc1ccccc1)C(O)=O; C[C@@H](C[C@H](Cc1cccc c1)N)C(=O)O; C[C@@H](C[C@@H](N)Cc1ccccc1 )C(O)=O |
(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
| 35919 | OH6 | 1 | C37 H64 N7 O17 P3 S | InChI=1S/C37H64N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-28(46)65-21- 20-39-27(45)18-19-40-35(4 9)32(48)37(2,3)23-58-64(5 5,56)61-63(53,54)57-22-26 -31(60-62(50,51)52)30(47) 36(59-26)44-25-43-29-33(3 8)41-24-42-34(29)44/h9-10 ,24-26,30-32,36,47-48H,4- 8,11-23H2,1-3H3,(H,39,45) (H,40,49)(H,53,54)(H,55,5 6)(H2,38,41,42)(H2,50,51, 52)/b10-9-/t26-,30-,31+,3 2+,36-/m1/s1; QBYOCCWNZAOZTL-SDUGNUESSA-N |
CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C H](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; CCCCCC\C=C/CCCCCCCC(=O)SCCNC( =O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[ P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@H]1O[ P](O)(O)=O)n2cnc3c(N)ncnc23; CCCCCC\C=C/ CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C) COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc 32)C(O)C1OP(=O)(O)O; CCCCCC/C=C\CCCCCCCC (=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; CCC CCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C )(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cn c3c2ncnc3N)O)OP(=O)(O)O)O |
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},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]ethyl] (~{Z})-hexadec-9-enethioate; Palmitoleoyl-CoA |
| 35920 | OH7 | 2 | C10 H17 N3 O2 | InChI=1S/C10H17N3O2/c1-8( 15)11-5-3-2-4-10-12-6-9(7 -14)13-10/h6,14H,2-5,7H2, 1H3,(H,11,15)(H,12,13); RGIIKOKBGRWBCV-UHFFFAOYSA-N |
CC(=O)NCCCCc1[nH]cc(CO)n1; CC(=O)NCCCCc1 [nH]cc(n1)CO; C(NC(C)=O)CCCc1ncc(CO)n1 |
N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide |
| 35921 | OH8 | 1 | C25 H33 N5 O3 | InChI=1S/C25H33N5O3/c1-17 (2)33-21-12-20(15-26-16-2 1)19-4-5-23-22(13-19)24(2 9-28-23)25(31)27-14-18-6- 8-30(9-7-18)10-11-32-3/h4 -5,12-13,15-18H,6-11,14H2 ,1-3H3,(H,27,31)(H,28,29); PKDWPGOXVXMHCS-UHFFFAOYSA-N |
CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O )NCC4CCN(CC4)CCOC; COCCN1CCC(CC1)CNC(=O) c2n[nH]c3ccc(cc23)c4cncc(OC(C)C)c4 |
~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-(5-propan-2-yloxypyridin-3-yl)-1~{H}-indazole-3-carboxamide |
| 35922 | OH9 | 2 | C11 H17 N5 O10 P2 | InChI=1S/C11H17N5O10P2/c1 -23-27(19,20)26-28(21,22) 24-2-5-7(17)8(18)11(25-5) 16-4-15-6-9(12)13-3-14-10 (6)16/h3-5,7-8,11,17-18H, 2H2,1H3,(H,19,20)(H,21,22 )(H2,12,13,14)/t5-,7-,8-, 11-/m1/s1; RUEXVBUEYZJEHS-IOSLPCCCSA-N |
CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH] (O)[CH]1O)n2cnc3c(N)ncnc23; COP(=O)(O)OP (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2 cnc3c2ncnc3N)O)O; CO[P](O)(=O)O[P](O)(=O )OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c (N)ncnc23; COP(=O)(O)OP(=O)(O)OCC1C(C(C( O1)n2cnc3c2ncnc3N)O)O |
beta-methyl-adenosine diphosphate; [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] methyl hydrogen phosphate; beta-methyl-ADP |
| 35923 | OHA | 4 | C16 H30 O3 | InChI=1S/C16H30O3/c1-2-3- 4-9-12-15(17)13-10-7-5-6- 8-11-14-16(18)19/h2-14H2, 1H3,(H,18,19); VBFPQNKLKQDSCH-UHFFFAOYSA-N |
CCCCCCC(=O)CCCCCCCCC(=O)O; O=C(CCCCCC)CC CCCCCCC(=O)O; CCCCCCC(=O)CCCCCCCCC(O)=O |
10-oxohexadecanoic acid |
| 35924 | OHB CHEMBL27577 DB08797 ZINC000000002055 |
10 | C7 H7 N O2 | InChI=1S/C7H7NO2/c8-7(10) 5-3-1-2-4-6(5)9/h1-4,9H,( H2,8,10); SKZKKFZAGNVIMN-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)N)O; NC(=O)c1ccccc1O; O= C(c1ccccc1O)N |
salicylamide; 2-hydroxybenzamide |
| 35925 | OHC | 1 | C17 H18 Cl N3 O2 | InChI=1S/C17H18ClN3O2/c1- 11-3-4-19-10-16(11)21-17( 23)8-13-5-14(7-15(18)6-13 )9-20-12(2)22/h3-7,10H,8- 9H2,1-2H3,(H,20,22)(H,21, 23); XDVRTJWPDGZLAS-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)CNC(=O)C; O=C(Nc1cnccc1C)Cc1cc(CNC(C)=O)cc(Cl)c1; CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1 |
2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide |
| 35926 | OHD | 0 | C14 H14 Cl N3 O4 | InChI=1S/C14H14ClN3O4/c1- 7(16)13-17-10(14(22)18(13 )6-12(20)21)5-8-2-3-11(19 )9(15)4-8/h2-5,7,19H,6,16 H2,1H3,(H,20,21)/b10-5-/t 7-/m0/s1; JUGKPHPDTRUHCK-ZHNVUNHESA-N |
CC(C1=NC(=Cc2ccc(c(c2)Cl)O)C(=O)N1CC(=O) O)N; C[C@@H](C1=N/C(=C\c2ccc(c(c2)Cl)O)/ C(=O)N1CC(=O)O)N; NC(C)C1=N/C(C(N1CC(O)= O)=O)=C\c2ccc(c(c2)Cl)O; C[CH](N)C1=NC(= Cc2ccc(O)c(Cl)c2)C(=O)N1CC(O)=O; C[C@H]( N)C1=N\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1CC(O) =O |
{(4Z)-2-[(1S)-1-aminoethyl]-4-[(3-chloro-4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 35927 | OHE CHEMBL545 DB00898 |
0 | C2 H6 O | InChI=1/C2H6O/c1-2-3/h3H, 2H2,1H3; LFQSCWFLJHTTHZ-UHFFFAOYAB |
CCO; OCC | HYDROXYETHYL GROUP |
| 35928 | OHF CHEMBL5314424 DB18071 |
4 | C20 H22 N2 O6 | InChI=1S/C20H22N2O6/c23-9 -6-17-15(3-2-7-21-17)20(2 6)22-8-10-27-12-14(22)13- 28-19-5-1-4-18(25)16(19)1 1-24/h1-5,7,11,14,23,25H, 6,8-10,12-13H2/t14-/m0/s1; NIWBSQAKKNNWBT-AWEZNQCLSA-N |
c1cc(c(c(c1)OCC2COCCN2C(=O)c3cccnc3CCO)C =O)O; O=C(N1CCOCC1COc1cccc(O)c1C=O)c1ccc nc1CCO; c1cc(c(c(c1)OC[C@@H]2COCCN2C(=O) c3cccnc3CCO)C=O)O; OCCc1ncccc1C(=O)N2CCO C[CH]2COc3cccc(O)c3C=O; OCCc1ncccc1C(=O) N2CCOC[C@H]2COc3cccc(O)c3C=O |
2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde |
| 35929 | OHG ZINC000012336500 |
1 | C5 H8 N2 O | InChI=1S/C5H8N2O/c1-4-6-2 -5(3-8)7-4/h2,8H,3H2,1H3, (H,6,7); MQRMTENGXFRETM-UHFFFAOYSA-N |
Cc1[nH]cc(n1)CO; Cc1[nH]cc(CO)n1; Cc1nc( cn1)CO |
(2-methyl-1H-imidazol-4-yl)methanol |
| 35930 | OHH DB04016 ZINC000024666930 |
2 | C40 H35 N2 O6 P | InChI=1S/C40H35N2O6P/c1-4 1(32-19-21-42(22-20-32)39 (44)31-18-17-26-9-2-3-11- 28(26)23-31)40(45)36-25-3 0-13-5-4-12-29(30)24-35(3 6)37(43)38(49(46,47)48)34 -16-8-14-27-10-6-7-15-33( 27)34/h2-18,23-25,32,38H, 19-22H2,1H3,(H2,46,47,48) /t38-/m1/s1; XUJQPDQURBZEGJ-KXQOOQHDSA-N |
CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4 cc5ccccc5cc4C(=O)C(c6cccc7c6cccc7)P(=O)( O)O; CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C( =O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cc cc7)P(=O)(O)O; CN(C1CCN(CC1)C(=O)c2ccc3c cccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[CH](c6c ccc7ccccc67)[P](O)(O)=O; O=C(c2cc1ccccc1 cc2)N7CCC(N(C(=O)c6cc3ccccc3cc6C(=O)C(c5 c4ccccc4ccc5)P(=O)(O)O)C)CC7; CN(C1CCN(C C1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5c c4C(=O)[C@@H](c6cccc7ccccc67)[P](O)(O)=O |
2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID |
| 35931 | OHI | 0 | C6 H7 N3 O3 | InChI=1S/C6H7N3O3/c7-4(5( 10)11)1-3-2-8-6(12)9-3/h2 ,4H,1,7H2,(H,10,11)/t4-/m 0/s1; MWUSZYAURGSGRY-BYPYZUCNSA-N |
O=C1N=C(C=N1)CC(N)C(=O)O; N[CH](CC1=NC(= O)N=C1)C(O)=O; N[C@@H](CC1=NC(=O)N=C1)C( O)=O; C1=NC(=O)N=C1C[C@@H](C(=O)O)N; C1= NC(=O)N=C1CC(C(=O)O)N |
3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE |
| 35932 | OHJ ZINC000012956117 |
2 | C8 H14 N2 O | InChI=1S/C8H14N2O/c1-2-3- 4-8-9-5-7(6-11)10-8/h5,11 H,2-4,6H2,1H3,(H,9,10); UZKBZGAMRJRWLR-UHFFFAOYSA-N |
CCCCc1[nH]cc(n1)CO; CCCCc1[nH]cc(CO)n1; C(c1cnc(CCCC)n1)O |
(2-butyl-1H-imidazol-4-yl)methanol |
| 35933 | OHK CHEMBL5397508 |
2 | C22 H26 N4 O3 | InChI=1S/C22H26N4O3/c1-15 (2)29-20-9-18(11-23-13-20 )17-3-4-19-12-24-21(26(19 )14-17)22(27)25-10-16-5-7 -28-8-6-16/h3-4,9,11-16H, 5-8,10H2,1-2H3,(H,25,27); HHJCFPYPXNXIIT-UHFFFAOYSA-N |
CC(C)Oc1cncc(c1)c2ccc3cnc(n3c2)C(=O)NCC4 CCOCC4; CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C (=O)NCC4CCOCC4 |
~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide |
| 35934 | OHL CHEMBL315949 ZINC000013764109 |
1 | C15 H17 N3 O5 S | InChI=1S/C15H17N3O5S/c1-2 3-13-2-4-14(5-3-13)24(21, 22)18(11-15(19)17-20)10-1 2-6-8-16-9-7-12/h2-9,20H, 10-11H2,1H3,(H,17,19); BWTYNJYIHZVAOW-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)[N@@](Cc2ccncc2)CC( =O)NO; COc1ccc(cc1)[S](=O)(=O)N(CC(=O)NO )Cc2ccncc2; O=S(=O)(N(Cc1ccncc1)CC(=O)NO )c2ccc(OC)cc2; COc1ccc(cc1)S(=O)(=O)N(Cc 2ccncc2)CC(=O)NO |
N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-4-ylmethyl)glycinamide; N-Hydroxy-2-(4-methoxy-N-(pyridine-3-ylmethyl)phenylsulfonamido)acetamide |
| 35935 | OHM CHEMBL1234965 DB08323 ZINC000053683081 |
4 | C16 H28 N2 O3 | InChI=1S/C16H28N2O3/c1-2- 3-4-5-6-7-8-9-13(19)12-15 (20)18-14-10-11-17-16(14) 21/h14H,2-12H2,1H3,(H,17, 21)(H,18,20)/t14-/m0/s1; VEYZCVBECUYIJZ-AWEZNQCLSA-N |
O=C1NCCC1NC(=O)CC(=O)CCCCCCCCC; CCCCCCCC CC(=O)CC(=O)N[CH]1CCNC1=O; CCCCCCCCCC(=O )CC(=O)NC1CCNC1=O; CCCCCCCCCC(=O)CC(=O)N [C@H]1CCNC1=O |
3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE |
| 35936 | OHN CHEMBL8483 DB08324 ZINC000008436851 |
23 | C16 H27 N O4 | InChI=1S/C16H27NO4/c1-2-3 -4-5-6-7-8-9-13(18)12-15( 19)17-14-10-11-21-16(14)2 0/h14H,2-12H2,1H3,(H,17,1 9)/t14-/m0/s1; PHSRRHGYXQCRPU-AWEZNQCLSA-N |
CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O; CCCC CCCCCC(=O)CC(=O)NC1CCOC1=O; O=C1OCCC1NC( =O)CC(=O)CCCCCCCCC; CCCCCCCCCC(=O)CC(=O) N[CH]1CCOC1=O |
N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE |
| 35937 | OHO ZINC000005188780 |
4 | C7 H13 N O2 | InChI=1S/C7H13NO2/c9-7(10 )8-6-4-2-1-3-5-6/h6,8H,1- 5H2,(H,9,10); OQQXGCLLMDQESN-UHFFFAOYSA-N |
O=C(O)NC1CCCCC1; OC(=O)NC1CCCCC1; C1CCC( CC1)NC(=O)O |
CYCLOHEXANE AMINOCARBOXYLIC ACID |
| 35938 | OHP CHEMBL240714 ZINC000000164777 |
5 | C8 H8 O3 | InChI=1S/C8H8O3/c9-7-4-2- 1-3-6(7)5-8(10)11/h1-4,9H ,5H2,(H,10,11); CCVYRRGZDBSHFU-UHFFFAOYSA-N |
O=C(O)Cc1ccccc1O; c1ccc(c(c1)CC(=O)O)O; OC(=O)Cc1ccccc1O |
(2-HYDROXYPHENYL)ACETIC ACID |
| 35939 | OHR | 2 | C15 H23 N5 O13 P2 | InChI=1S/C15H23N5O13P2/c1 6-13-10-14(18-4-17-13)20( 5-19-10)9-1-6(21)7(31-9)2 -29-34(25,26)33-35(27,28) 30-3-8-11(22)12(23)15(24) 32-8/h4-9,11-12,15,21-24H ,1-3H2,(H,25,26)(H,27,28) (H2,16,17,18)/t6-,7+,8+,9 +,11+,12+,15-/m0/s1; QUQXNEJSUIYECI-KYMUXCIQSA-N |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P]( O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[ CH]4O)O3; c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO P(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O 3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H ]([C@H](O4)O)O)O)O)N; Nc1ncnc2n(cnc12)[C @H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)( =O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)O3 |
2'-deoxyadenosine 5'-diphosphoribose; [[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2'-deoxy-ADPR |
| 35940 | OHS ZINC000038377623 |
0 | C5 H7 N O6 S | InChI=1S/C5H7NO6S/c6-2(4( 8)9)1-3(7)12-13-5(10)11/h 2H,1,6H2,(H,8,9)(H,10,11) /t2-/m1/s1; XLRNXEYAFDOPMG-UWTATZPHSA-N |
C(C(C(=O)O)N)C(=O)OSC(=O)O; O=C(O)SOC(=O )CC(N)C(=O)O; C([C@H](C(=O)O)N)C(=O)OSC( =O)O; N[C@H](CC(=O)OSC(O)=O)C(O)=O; N[CH ](CC(=O)OSC(O)=O)C(O)=O |
O-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINE |
| 35941 | OHT CHEMBL489 DB04468 ZINC000000902197 |
40 | C26 H29 N O2 | InChI=1S/C26H29NO2/c1-4-2 5(20-8-6-5-7-9-20)26(21-1 0-14-23(28)15-11-21)22-12 -16-24(17-13-22)29-19-18- 27(2)3/h5-17,28H,4,18-19H 2,1-3H3/b26-25-; TXUZVZSFRXZGTL-QPLCGJKRSA-N |
CC\C(c1ccccc1)=C(/c2ccc(O)cc2)c3ccc(OCCN (C)C)cc3; CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O CCN(C)C)c3ccccc3; CC/C(=C(\c1ccc(cc1)O)/ c2ccc(cc2)OCCN(C)C)/c3ccccc3; O(c1ccc(cc 1)/C(c2ccc(O)cc2)=C(\c3ccccc3)CC)CCN(C)C ; CCC(c1ccccc1)=C(c2ccc(O)cc2)c3ccc(OCCN (C)C)cc3 |
4-HYDROXYTAMOXIFEN |
| 35942 | OHU ZINC000013514788 |
0 | C9 H13 N2 O9 P | InChI=1S/C9H13N2O9P/c12-4 -1-7(20-6(4)3-19-21(16,17 )18)11-2-5(13)8(14)10-9(1 1)15/h2,4,6-7,12-13H,1,3H 2,(H,10,14,15)(H2,16,17,1 8)/t4-,6+,7+/m0/s1; ZQYXKIGZDRIQRE-UBKIQSJTSA-N |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C =C(O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)NC2 =O)O)COP(=O)(O)O)O; C1[C@@H]([C@H](O[C@H ]1N2C=C(C(=O)NC2=O)O)COP(=O)(O)O)O; O=P( O)(O)OCC2OC(N1C(=O)NC(=O)C(O)=C1)CC2O; O [CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(O)C (=O)NC2=O |
2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate) |
| 35943 | OHV | 1 | C16 H21 N3 O3 | InChI=1S/C16H21N3O3/c20-1 1-14-10-18-15(19-14)8-4-5 -9-17-16(21)22-12-13-6-2- 1-3-7-13/h1-3,6-7,10,20H, 4-5,8-9,11-12H2,(H,17,21) (H,18,19); NIZFBMMWDHTIBI-UHFFFAOYSA-N |
C(CCCc1ncc(CO)n1)NC(=O)OCc2ccccc2; OCc1[ nH]c(CCCCNC(=O)OCc2ccccc2)nc1; c1ccc(cc1 )COC(=O)NCCCCc2[nH]c(cn2)CO |
benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
| 35944 | OHW | 1 | C23 H32 F3 N3 O2 | InChI=1S/C23H32F3N3O2/c1- 2-5-19-18-8-7-17(31-23(24 ,25)26)16-20(18)27-22(19) 21-6-3-4-9-29(21)11-10-28 -12-14-30-15-13-28/h7-8,1 6,21,27H,2-6,9-15H2,1H3/t 21-/m1/s1; UNPIVXUWRQMOQC-OAQYLSRUSA-N |
CCCc1c2ccc(cc2[nH]c1[C@H]3CCCCN3CCN4CCOC C4)OC(F)(F)F; CCCc1c2ccc(cc2[nH]c1C3CCCC N3CCN4CCOCC4)OC(F)(F)F; CCCc1c([nH]c2cc( OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4; C CCc1c([nH]c2cc(OC(F)(F)F)ccc12)[C@H]3CCC CN3CCN4CCOCC4 |
4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine; CAD204520 |
| 35945 | OHX | 1618 | H12 N6 Os | InChI=1S/6H2N.Os/h6*1H2;/ q6*-1;+6; OWCQTVJQFLTQTE-UHFFFAOYSA-N |
N[Os](N)(N)(N)(N)N | osmium (III) hexammine; osmium(6+) hexaazanide |
| 35946 | OHY | 2 | C30 H30 Cl F N4 O3 | InChI=1S/C30H30ClFN4O3/c1 -4-27(38)34-12-14-35(15-1 3-34)29-21-16-22(31)20(28 -23(32)9-7-11-26(28)37)17 -25(21)36(30(39)33-29)24- 10-6-5-8-19(24)18(2)3/h5- 11,16-18,37H,4,12-15H2,1- 3H3; OCTKIXILUUVPLP-UHFFFAOYSA-N |
CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3ccccc3C(C) C)c4cc(c(Cl)cc24)c5c(O)cccc5F; CCC(=O)N1 CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4 F)O)Cl)c5ccccc5C(C)C; CC(C)c1c(cccc1)N3c 2cc(c(cc2C(=NC3=O)N4CCN(CC4)C(CC)=O)Cl)c 5c(F)cccc5O |
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-propanoylpiperazin-1-yl)-1-[2-(propan-2-yl)phenyl]quinazolin-2(1H)-one |
| 35947 | OHZ | 2 | C16 H14 Cl F3 N2 O3 | InChI=1S/C16H14ClF3N2O3/c 17-11-7-12(9-13(8-11)25-1 6(18,19)20)21-15(24)22-14 -4-2-1-3-10(14)5-6-23/h1- 4,7-9,23H,5-6H2,(H2,21,22 ,24); MFPOPEHXGDSREH-UHFFFAOYSA-N |
OCCc1ccccc1NC(=O)Nc2cc(Cl)cc(OC(F)(F)F)c 2; c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)O C(F)(F)F |
1-(3-Chloro-5-trifluoromethoxy-phenyl)-3-[2-(2-hydroxy-ethyl)-phenyl]-urea; 1-[3-chloranyl-5-(trifluoromethyloxy)phenyl]-3-[2-(2-hydroxyethyl)phenyl]urea |
| 35948 | OI1 | 4 | C32 H35 N3 O5 | InChI=1S/C32H35N3O5/c1-2- 5-27(30(38)33-17-16-21-8- 12-25(36)13-9-21)35-29(18 -22-10-14-26(37)15-11-22) 31(39)34-20-24-7-4-3-6-23 (24)19-28(34)32(35)40/h3- 4,6-15,27-29H,2,5,16-20H2 ,1H3,(H3,33,36,37,38)/t27 -,28-,29-/m0/s1; GSRXSLSGKZHATI-AWCRTANDSA-N |
CCC[C@@H](C(=O)NCCc1ccc(O)cc1)[N+]2=C([O -])[C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc (O)cc5; CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N +]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5 ccc(cc5)O)[O-]; CCC[CH](C(=O)NCCc1ccc(O) cc1)[N+]2=C([O-])[CH]3Cc4ccccc4CN3C(=O)[ CH]2Cc5ccc(O)cc5; CCCC(C(=O)NCCc1ccc(cc1 )O)[N+]2=C(C3Cc4ccccc4CN3C(=O)C2Cc5ccc(c c5)O)[O-]; O=C(NCCc1ccc(O)cc1)C([N+]2=C( [O-])C5N(C(=O)C2Cc3ccc(O)cc3)Cc4c(cccc4) C5)CCC |
3-(4-HYDROXYBENZYL)-2-[1-({[2-(4-HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-4-OXO-3,6,11,11A-TETRAHYDRO-4H-PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-1-OLATE |
| 35949 | OI2 | 1 | C25 H38 O2 | InChI=1S/C25H38O2/c1-7-21 (6)23-13-9-12-22(24(23)15 -14-18(2)3)16-19(4)10-8-1 1-20(5)17-25(26)27/h8,10- 11,16-18,21H,7,9,12-15H2, 1-6H3,(H,26,27)/b11-8+,19 -10-,20-17+,22-16+/t21-/m 0/s1; USDOYFQDHIMGBQ-CKASWENUSA-N |
CCC(C)C=1CCC\C(=C/C(/C)=C\C=C\C(\C)=C\C( =O)O)C=1CCC(C)C; CC[C@H](C)C1=C(/C(=C/C( =C\C=C\C(=C\C(=O)O)\C)/C)/CCC1)CCC(C)C; CC[C@H](C)C1=C(CCC(C)C)C(/CCC1)=C/C(C)=C \C=C\C(C)=C\C(O)=O; CC[CH](C)C1=C(CCC(C) C)C(CCC1)=CC(C)=CC=CC(C)=CC(O)=O; CCC(C) C1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)CCC( C)C |
(2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid |
| 35950 | OI3 | 2 | C15 H22 F N5 O13 P2 | InChI=1S/C15H22FN5O13P2/c 16-7-9(22)5(32-14(7)21-4- 20-8-12(17)18-3-19-13(8)2 1)1-30-35(26,27)34-36(28, 29)31-2-6-10(23)11(24)15( 25)33-6/h3-7,9-11,14-15,2 2-25H,1-2H2,(H,26,27)(H,2 8,29)(H2,17,18,19)/t5-,6- ,7-,9-,10-,11-,14-,15-/m1 /s1; DGMUNKKEZYJBEL-IUNVFAKASA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H] ([C@H]([C@@H](O4)O)O)O)O)F)N; Nc1ncnc2n( cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O) OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH] 3F; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O) (O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)F)N; Nc 1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O) O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@ @H]4O)[C@@H](O)[C@H]3F |
2'-deoxyadenosine 5'-fluoro-diphosphoribose; [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 2'-deoxy-2'-fluoro-ADPR |
| 35951 | OI4 | 3 | C16 H15 Cl N2 O2 | InChI=1S/C16H15ClN2O2/c1- 10-4-6-18-9-14(10)19-16(2 0)12-5-7-21-15-3-2-11(17) 8-13(12)15/h2-4,6,8-9,12H ,5,7H2,1H3,(H,19,20)/t12- /m1/s1; KJMNRTLNVIILOB-GFCCVEGCSA-N |
Cc1ccncc1NC(=O)[C@@H]2CCOc3c2cc(cc3)Cl; Cc1ccncc1NC(=O)C1CCOc2ccc(Cl)cc21; Cc1cc ncc1NC(=O)C2CCOc3c2cc(cc3)Cl; Cc1ccncc1N C(=O)[CH]2CCOc3ccc(Cl)cc23; Cc1ccncc1NC( =O)[C@@H]2CCOc3ccc(Cl)cc23 |
(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 35952 | OI5 CHEMBL5200645 |
1 | C24 H36 O2 | InChI=1S/C24H36O2/c1-6-9- 21-12-8-13-22(23(21)15-14 -18(2)3)16-19(4)10-7-11-2 0(5)17-24(25)26/h7,10-11, 16-18H,6,8-9,12-15H2,1-5H 3,(H,25,26)/b11-7+,19-10- ,20-17+,22-16+; AFPIKPIXJYHWHZ-JALBNXGMSA-N |
CCCC1=C(C(=CC(=CC=CC(=CC(=O)O)C)C)CCC1)C CC(C)C; CCCC1=C(CCC(C)C)/C(CCC1)=C/C(C)= C\C=C\C(C)=C\C(O)=O; CCCC=1CCC\C(=C/C(/C )=C\C=C\C(\C)=C\C(=O)O)C=1CCC(C)C; CCCC1 =C(/C(=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)/CCC 1)CCC(C)C; CCCC1=C(CCC(C)C)C(CCC1)=CC(C) =CC=CC(C)=CC(O)=O |
(2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid |
| 35953 | OI6 ZINC000150600485 |
2 | C15 H22 Br N5 O14 P2 | InChI=1S/C15H22BrN5O14P2/ c16-15-20-6-11(17)18-3-19 -12(6)21(15)13-9(24)7(22) 4(33-13)1-31-36(27,28)35- 37(29,30)32-2-5-8(23)10(2 5)14(26)34-5/h3-5,7-10,13 -14,22-26H,1-2H2,(H,27,28 )(H,29,30)(H2,17,18,19)/t 4-,5-,7-,8-,9-,10-,13-,14 -/m1/s1; DPZGAPGUTMHLAW-AIKIOGRUSA-N |
Nc1ncnc2n([CH]3O[CH](CO[P](O)(=O)O[P](O) (=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O) [CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c(n2)Br) C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C( O4)O)O)O)O)O)N; c1nc(c2c(n1)n(c(n2)Br)[C @H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP( =O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O )O)O)O)N; Nc1ncnc2n([C@@H]3O[C@H](CO[P]( O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[C@H] (O)[C@@H]4O)[C@@H](O)[C@H]3O)c(Br)nc12 |
8-bromoadenosine 5'-diphosphoribose; [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; 8Br-ADPR |
| 35954 | OI7 ZINC000058632765 |
4 | C7 H16 O13 P2 | InChI=1S/C7H16O13P2/c8-3( 1-18-21(12,13)14)5-4(9)6( 10)7(11,20-5)2-19-22(15,1 6)17/h3-6,8-11H,1-2H2,(H2 ,12,13,14)(H2,15,16,17)/t 3-,4-,5-,6+,7-/m1/s1; YCQNLCZEHKXXNQ-BNWJMWRWSA-N |
C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(= O)(O)O; C([C@H]([C@@H]1[C@H]([C@@H]([C@] (O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O; O[C @H](CO[P](O)(O)=O)[C@H]1O[C@](O)(CO[P](O )(O)=O)[C@@H](O)[C@@H]1O; O[CH](CO[P](O) (O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O) [CH]1O; O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O )O)C(O)C1O |
1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose; 1,7-di-O-phosphono-beta-D-altro-hept-2-ulose; 1,7-di-O-phosphono-D-altro-hept-2-ulose; 1,7-di-O-phosphono-altro-hept-2-ulose |
| 35955 | OI9 CHEMBL4448608 ZINC000060183503 |
17 | C19 H34 N8 O8 | InChI=1S/C19H34N8O8/c20-3 -1-2-7(21)4-10(30)24-13-1 4(31)15(35-18(22)33)9(6-2 8)34-17(13)27-19-25-11-8( 29)5-23-16(32)12(11)26-19 /h7-9,11-15,17,28-29,31H, 1-6,20-21H2,(H2,22,33)(H, 23,32)(H,24,30)(H2,25,26, 27)/t7-,8+,9+,11+,12-,13+ ,14-,15-,17+/m0/s1; NRAUADCLPJTGSF-VLSXYIQESA-N |
NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N) =O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH]( O)CNC3=O; C1[C@H]([C@@H]2[C@@H](C(=O)N1) N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H]( O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O; C 1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)O C(=O)N)O)NC(=O)CC(CCCN)N)O; NCCCC(N)CC(= O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1) C(=O)NCC2O; NCCC[C@H](N)CC(=O)N[C@@H]1[C @H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC 2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O |
Streptothricin F |
| 35956 | OIA ZINC000090225589 |
6 | C10 H9 N O3 | InChI=1S/C10H9NO3/c12-9(1 3)5-7-6-3-1-2-4-8(6)11-10 (7)14/h1-4,7H,5H2,(H,11,1 4)(H,12,13)/t7-/m0/s1; ILGMGHZPXRDCCS-ZETCQYMHSA-N |
c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O; c1ccc 2c(c1)C(C(=O)N2)CC(=O)O; OC(=O)C[C@@H]1C (=O)Nc2ccccc12; OC(=O)CC2c1ccccc1NC2=O; OC(=O)C[CH]1C(=O)Nc2ccccc12 |
[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetic acid |
| 35957 | OIB | 0 | C6 H13 N O5 | InChI=1S/C6H13NO5/c1-12-3 (2-7)4(8)5(9)6(10)11/h3-5 ,8-9H,2,7H2,1H3,(H,10,11) /t3-,4-,5-/m0/s1; AZZQNKGHODDJIM-YUPRTTJUSA-N |
CO[CH](CN)[CH](O)[CH](O)C(O)=O; COC(CN)C (C(C(=O)O)O)O; CO[C@@H](CN)[C@@H]([C@@H] (C(=O)O)O)O; CO[C@@H](CN)[C@H](O)[C@H](O )C(O)=O |
hydroxylated gamma-amino valeroyl moiety; (2~{S},3~{R},4~{S})-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid; (2S,3R,4S)-5-azanyl-4-methoxy-2,3-bis(oxidanyl)pentanoic acid |
| 35958 | OIC DB03409 ZINC000004899687 |
0 | C9 H15 N O2 | InChI=1S/C9H15NO2/c11-9(1 2)8-5-6-3-1-2-4-7(6)10-8/ h6-8,10H,1-5H2,(H,11,12)/ t6-,7-,8-/m0/s1; CQYBNXGHMBNGCG-FXQIFTODSA-N |
C1CC[C@H]2[C@@H](C1)C[C@H](N2)C(=O)O; OC (=O)[CH]1C[CH]2CCCC[CH]2N1; OC(=O)[C@@H] 1C[C@@H]2CCCC[C@@H]2N1; C1CCC2C(C1)CC(N2 )C(=O)O; O=C(O)C1NC2CCCCC2C1 |
OCTAHYDROINDOLE-2-CARBOXYLIC ACID |
| 35959 | OID ZINC000039296093 |
2 | C13 H22 N2 O2 | InChI=1S/C13H22N2O2/c16-1 3(17)8-6-4-2-1-3-5-7-10-1 5-11-9-14-12-15/h9,11-12H ,1-8,10H2,(H,16,17); DOJPUPKORVKCJK-UHFFFAOYSA-N |
c1cn(cn1)CCCCCCCCCC(=O)O; OC(=O)CCCCCCCC Cn1ccnc1; O=C(O)CCCCCCCCCn1ccnc1 |
10-(1H-imidazol-1-yl)decanoic acid; 10-imidazolyl-decanoic acid |
| 35960 | OIE | 1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 12-5-6-19-13(7-12)8-16(21 )20-15-10-18-9-11-3-1-2-4 -14(11)15/h1-7,9-10H,8H2, (H,20,21); WBAYRCXMIZFJCT-UHFFFAOYSA-N |
Clc1ccnc(CC(=O)Nc2cncc3ccccc23)c1; O=C(C c1cc(Cl)ccn1)Nc1cncc2ccccc21; c1ccc2c(c1 )cncc2NC(=O)Cc3cc(ccn3)Cl |
2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide |
| 35961 | OIF CHEMBL5219807 |
1 | C9 H8 N2 O4 S2 | InChI=1S/C9H8N2O4S2/c12-8 (5-17(13,14)15)11-9-10-6- 3-1-2-4-7(6)16-9/h1-4H,5H 2,(H,10,11,12)(H,13,14,15 ); SYEABNIGTPGICH-UHFFFAOYSA-N |
O=S(=O)(O)CC(=O)Nc1nc2ccccc2s1; O[S](=O) (=O)CC(=O)Nc1sc2ccccc2n1; c1ccc2c(c1)nc( s2)NC(=O)CS(=O)(=O)O |
2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethane-1-sulfonic acid |
| 35962 | OIG | 2 | C12 H19 N5 O10 P2 | InChI=1S/C12H19N5O10P2/c1 -2-24-28(20,21)27-29(22,2 3)25-3-6-8(18)9(19)12(26- 6)17-5-16-7-10(13)14-4-15 -11(7)17/h4-6,8-9,12,18-1 9H,2-3H2,1H3,(H,20,21)(H, 22,23)(H2,13,14,15)/t6-,8 -,9-,12-/m1/s1; OBBAXRNSCNGYQO-WOUKDFQISA-N |
CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c 2ncnc3N)O)O; CCO[P](O)(=O)O[P](O)(=O)OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n cnc23; CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H ]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CC O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH]( O)[CH]1O)n2cnc3c(N)ncnc23 |
beta-ethyl-adenosine diphosphate; [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] ethyl hydrogen phosphate; beta-ethyl-ADP |
| 35963 | OIH | 2 | C28 H32 Cl F N4 O3 | InChI=1S/C28H32ClFN4O3/c1 -18(2)17-34(20-7-4-3-5-8- 20)25-13-11-21(33-14-6-9- 26(33)27(35)36)16-24(25)3 2-28(37)31-23-12-10-19(29 )15-22(23)30/h6,9-16,18,2 0H,3-5,7-8,17H2,1-2H3,(H, 35,36)(H2,31,32,37); JYDXSLBOQXZAKM-UHFFFAOYSA-N |
CC(C)CN(c1ccc(cc1NC(=O)Nc2ccc(cc2F)Cl)n3 cccc3C(=O)O)C4CCCCC4; CC(C)CN(C1CCCCC1)c 2ccc(cc2NC(=O)Nc3ccc(Cl)cc3F)n4cccc4C(O) =O |
1-[3-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyrrole-2-carboxylic acid |
| 35964 | OIJ CHEMBL4436028 |
8 | C25 H22 F N5 O2 | InChI=1S/C25H22FN5O2/c26- 18-4-1-15(2-5-18)24-23(16 -3-6-20-17(13-16)14-22(33 )28-20)21-7-10-27-25(31(2 1)29-24)30-11-8-19(32)9-1 2-30/h1-7,10,13,19,32H,8- 9,11-12,14H2,(H,28,33); UWIJVELUZWBFEU-UHFFFAOYSA-N |
c1cc(ccc1c2c(c3ccnc(n3n2)N4CCC(CC4)O)c5c cc6c(c5)CC(=O)N6)F; OC1CCN(CC1)c2nccc3n2 nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5 |
5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one |
| 35965 | OIK | 1 | C20 H19 N3 O | InChI=1S/C20H19N3O/c24-20 (19-15-21-14-16-6-4-5-9-1 8(16)19)23-12-10-22(11-13 -23)17-7-2-1-3-8-17/h1-9, 14-15H,10-13H2; UIQBSVLMOPGDAQ-UHFFFAOYSA-N |
O=C(c1cncc2ccccc21)N1CCN(CC1)c1ccccc1; O =C(N1CCN(CC1)c2ccccc2)c3cncc4ccccc34; c1 ccc(cc1)N2CCN(CC2)C(=O)c3cncc4c3cccc4 |
(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone |
| 35966 | OIL ZINC000000402951 |
0 | C6 H12 O3 | InChI=1S/C6H12O3/c1-3-4(2 )5(7)6(8)9/h4-5,7H,3H2,1- 2H3,(H,8,9)/t4-,5-/m0/s1; RILPIWOPNGRASR-WHFBIAKZSA-N |
O=C(O)C(O)C(C)CC; CC[C@H](C)[C@@H](C(=O) O)O; CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[ C@H](O)C(O)=O; CCC(C)C(C(=O)O)O |
(2S,3S)-2-hydroxy-3-methylpentanoic acid |
| 35967 | OIM ZINC000098209263 |
0 | C21 H26 N4 O6 | InChI=1S/C21H26N4O6/c1-4- 11(2)18(22)21(30)24-17(12 (3)31-21)19-23-15(20(29)2 5(19)10-16(27)28)9-13-5-7 -14(26)8-6-13/h5-9,11-12, 18,26,30H,4,10,22H2,1-3H3 ,(H,27,28)/b15-9-/t11-,12 +,18-,21+/m0/s1; LIQZHRFTMFYAKC-MMOVILGGSA-N |
CC[C@H](C)[C@@H]([C@@]1(N=C([C@H](O1)C)C 2=N/C(=C\c3ccc(cc3)O)/C(=O)N2CC(=O)O)O)N ; CC[CH](C)[CH](N)[C]1(O)O[CH](C)C(=N1)C 2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O; CC[C@ H](C)[C@H](N)[C@@]1(O)O[C@H](C)C(=N1)C2= N\C(=C/c3ccc(O)cc3)C(=O)N2CC(O)=O; O=C(O )CN2C(=N/C(=C\c1ccc(O)cc1)C2=O)C3=NC(O)( OC3C)C(N)C(C)CC; CCC(C)C(C1(N=C(C(O1)C)C 2=NC(=Cc3ccc(cc3)O)C(=O)N2CC(=O)O)O)N |
[(4Z)-2-{(2R,5R)-2-[(1S,2S)-1-amino-2-methylbutyl]-2-hydroxy-5-methyl-2,5-dihydro-1,3-oxazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid; PEPTIDE DERIVED CHROMOPHORE |
| 35968 | OIN CHEMBL1234973 ZINC000100068360 |
8 | C17 H23 N O3 | InChI=1S/C17H23NO3/c1-18- 13-7-8-14(18)10-15(9-13)2 1-17(20)16(11-19)12-5-3-2 -4-6-12/h2-6,13-16,19H,7- 11H2,1H3/t13-,14+,15-,16- /m1/s1; RKUNBYITZUJHSG-QKPAOTATSA-N |
O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO; CN 1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3; CN1[C@ H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc 3; CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3 ccccc3 |
(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE; ATROPINE |
| 35969 | OIO CHEMBL1191015 ZINC000038337192 |
2 | C11 H18 N2 O2 | InChI=1S/C11H18N2O2/c14-1 1(15)6-4-2-1-3-5-8-13-9-7 -12-10-13/h7,9-10H,1-6,8H 2,(H,14,15); OUQGDTNNZRAKIB-UHFFFAOYSA-N |
OC(=O)CCCCCCCn1ccnc1; c1cn(cn1)CCCCCCCC( =O)O |
8-(1H-imidazol-1-yl)octanoic acid |
| 35970 | OIP | 0 | C10 H13 N4 O7 P | InChI=1/C10H13N4O7P/c15-5 -1-7(21-6(5)2-20-22(17,18 )19)14-4-13-8-9(14)11-3-1 2-10(8)16/h3-7,15H,1-2H2, (H,11,12,16)(H2,17,18,19) /t5-,6+,7+/m0/s1/f/h12,17 -18H; PHNGFPPXDJJADG-HZZUNUDTDZ |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C( =O)NC=Nc23; c1nc2c(n1C3CC(C(O3)COP(=O)(O )O)O)N=CNC2=O; O[C@H]1C[C@@H](O[C@@H]1CO [P](O)(O)=O)n2cnc3C(=O)NC=Nc23; O=C1c2nc n(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O; c1nc2 c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O )N=CNC2=O |
2'-DEOXY-INOSINIC ACID |
| 35971 | OIQ | 0 | C14 H22 N5 O8 P | InChI=1S/C14H22N5O8P/c1-7 -4-18(13(22)17-10(7)21)11 -8-9(20)14(27-11,6-26-28( 23,24)25)5-19(8)12(15-2)1 6-3/h4,8-9,11,20H,5-6H2,1 -3H3,(H,15,16)(H,17,21,22 )(H2,23,24,25)/t8-,9+,11- ,14-/m1/s1; UBEWFRLVLLXNDH-SZRLZVLASA-N |
CNC(=NC)N1C[C]2(CO[P](O)(O)=O)O[CH]([CH] 1[CH]2O)N3C=C(C)C(=O)NC3=O; CNC(=NC)N1C[ C@]2(CO[P](O)(O)=O)O[C@H]([C@H]1[C@@H]2O )N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1=O)C 2C3C(C(O2)(CN3C(=NC)NC)COP(=O)(O)O)O; CC 1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@] (O2)(CN3/C(=N/C)/NC)COP(=O)(O)O)O |
[(1R,3R,4R,7S)-5-[(E)-N,N'-dimethylcarbamimidoyl]-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-7-oxidanyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl dihydrogen phosphate |
| 35972 | OIR DB02558 ZINC000015894751 |
1 | C21 H24 N2 O4 S | InChI=1S/C21H24N2O4S/c1-1 4(21(26)27)22-19(24)17(12 -15-8-4-2-5-9-15)23-20(25 )18(28)13-16-10-6-3-7-11- 16/h2-11,14,17-18,28H,12- 13H2,1H3,(H,22,24)(H,23,2 5)(H,26,27)/t14-,17-,18+/ m0/s1; CNILVMARPONFBX-JCGIZDLHSA-N |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H] (S)Cc2ccccc2)C(O)=O; C[C@@H](C(=O)O)NC(= O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2 )S; CC(C(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C( Cc2ccccc2)S; C[CH](NC(=O)[CH](Cc1ccccc1) NC(=O)[CH](S)Cc2ccccc2)C(O)=O; O=C(O)C(N C(=O)C(NC(=O)C(S)Cc1ccccc1)Cc2ccccc2)C |
N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE |
| 35973 | OIS DB04748 ZINC000150339775 |
2 | C34 H46 N6 O6 S2 | InChI=1S/C34H46N6O6S2/c1- 23(2)19-39(48(45,46)29-13 -11-27(12-14-29)18-35-44) 21-31(41)30(17-26-9-7-6-8 -10-26)37-33(42)32(24(3)4 )40-16-15-38(34(40)43)20- 28-22-47-25(5)36-28/h6-14 ,18,22-24,30-32,41,44H,15 -17,19-21H2,1-5H3,(H,37,4 2)/b35-18+/t30-,31+,32-/m 0/s1; PJLSJXTZOMOVBI-KKWNBLJUSA-N |
Cc1nc(cs1)CN2CCN(C2=O)[C@@H](C(C)C)C(=O) N[C@@H](Cc3ccccc3)[C@@H](C[N@](CC(C)C)S( =O)(=O)c4ccc(cc4)\C=N\O)O; CC(C)CN(C[C@@ H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N 2CCN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(c c4)/C=N/O; O=S(=O)(c1ccc(\C=N\O)cc1)N(CC (C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(s c3)C)C(C)C)Cc4ccccc4; Cc1nc(cs1)CN2CCN(C 2=O)C(C(C)C)C(=O)NC(Cc3ccccc3)C(CN(CC(C) C)S(=O)(=O)c4ccc(cc4)C=NO)O; CC(C)CN(C[C H](O)[CH](Cc1ccccc1)NC(=O)[CH](C(C)C)N2C CN(Cc3csc(C)n3)C2=O)[S](=O)(=O)c4ccc(cc4 )C=NO |
(S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE; OXIMINOARYLSULFONAMIDE |
| 35974 | OIT | 2 | C20 H21 Cl2 N3 O2 | InChI=1S/C20H21Cl2N3O2/c2 1-15-9-14(10-16(22)12-15) 20-25-17-6-5-13(11-18(17) 27-20)19(26)24-8-4-2-1-3- 7-23/h5-6,9-12H,1-4,7-8,2 3H2,(H,24,26); VYSGGLIOFYGQHG-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)NCCCCCCN)oc(n2)c3cc(cc(c3 )Cl)Cl; NCCCCCCNC(=O)c1ccc2nc(oc2c1)c3cc (Cl)cc(Cl)c3 |
~{N}-(6-azanylhexyl)-2-[3,5-bis(chloranyl)phenyl]-1,3-benzoxazole-6-carboxamide; Tafamidis derivative |
| 35975 | OIW CHEMBL1950779 |
1 | C6 H10 O4 | InChI=1S/C6H10O4/c7-3-1-2 -4(8)6(10)5(3)9/h1-10H/t3 -,4+,5-,6-/m0/s1; LRUBQXAKGXQBHA-FSIIMWSLSA-N |
C1=CC(C(C(C1O)O)O)O; C1=C[C@@H]([C@@H]([ C@H]([C@@H]1O)O)O)O; O[C@@H]1C=C[C@H](O) [C@H](O)[C@H]1O; O[CH]1C=C[CH](O)[CH](O) [CH]1O |
(2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol; D-carbaxylosyl chloride |
| 35976 | OIX | 1 | C19 H18 N2 O3 | InChI=1S/C19H18N2O3/c1-23 -17-8-4-5-9-18(17)24-11-1 0-21-19(22)16-13-20-12-14 -6-2-3-7-15(14)16/h2-9,12 -13H,10-11H2,1H3,(H,21,22 ); SWRAJWUUCVFLBR-UHFFFAOYSA-N |
COc1ccccc1OCCNC(=O)c1cncc2ccccc21; COc1c cccc1OCCNC(=O)c2cncc3c2cccc3; COc1ccccc1 OCCNC(=O)c2cncc3ccccc23 |
N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide |
| 35977 | OIY CHEMBL4535777 ZINC000087520323 |
12 | C31 H58 N12 O10 | InChI=1S/C31H58N12O10/c32 -7-1-4-15(33)10-20(46)37- 8-2-5-16(34)11-21(47)38-9 -3-6-17(35)12-22(48)40-25 -26(49)27(53-30(36)51)19( 14-44)52-29(25)43-31-41-2 3-18(45)13-39-28(50)24(23 )42-31/h15-19,23-27,29,44 -45,49H,1-14,32-35H2,(H2, 36,51)(H,37,46)(H,38,47)( H,39,50)(H,40,48)(H2,41,4 2,43)/t15-,16-,17-,18+,19 +,23+,24-,25+,26-,27-,29+ /m0/s1; WUJTXMVGXDQPNN-OTQKCRDJSA-N |
NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC [C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC( N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N 2)[C@H](O)CNC3=O; C1[C@H]([C@@H]2[C@@H]( C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H ]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCC NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N) O; NCCC[CH](N)CC(=O)NCCC[CH](N)CC(=O)NCC C[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O) [CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)C NC3=O; C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C (O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CC CNC(=O)CC(CCCN)N)N)N)O; NCCCC(N)CC(=O)NC CCC(N)CC(=O)NCCCC(N)CC(=O)NC1C(O)C(OC(N) =O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O |
Streptothricin D |
| 35978 | OIZ | 1 | C6 H9 Cl O3 | InChI=1S/C6H9ClO3/c7-3-1- 2-4(8)6(10)5(3)9/h1-6,8-1 0H/t3-,4-,5+,6+/m0/s1; CGZQOMOYCGJBIC-UNTFVMJOSA-N |
C1=CC(C(C(C1O)O)O)Cl; C1=C[C@@H]([C@H]([ C@@H]([C@H]1O)O)O)Cl; O[CH]1C=C[CH](Cl)[ CH](O)[CH]1O; O[C@H]1C=C[C@H](Cl)[C@@H]( O)[C@@H]1O |
(1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol; L-carbaxylosyl chloride |
| 35979 | OJ0 CHEMBL1201193 DB01002 ZINC000001530812 |
1 | C18 H28 N2 O | InChI=1S/C18H28N2O/c1-4-5 -12-20-13-7-6-11-16(20)18 (21)19-17-14(2)9-8-10-15( 17)3/h8-10,16H,4-7,11-13H 2,1-3H3,(H,19,21)/t16-/m0 /s1; LEBVLXFERQHONN-INIZCTEOSA-N |
CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C; CCCC N1CCCC[CH]1C(=O)Nc2c(C)cccc2C; CCCCN1CCC C[C@H]1C(=O)Nc2c(C)cccc2C; CCCCN1CCCCC1C (=O)Nc2c(cccc2C)C |
Levobupivacaine; (2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide |
| 35980 | OJ1 | 1 | C27 H24 Cl F N4 O2 | InChI=1S/C27H24ClFN4O2/c1 -2-24(35)32-11-13-33(14-1 2-32)27-19-16-21(28)20(25 -22(29)9-6-10-23(25)34)15 -18(19)26(30-31-27)17-7-4 -3-5-8-17/h3-10,15-16,34H ,2,11-14H2,1H3; FAGFXCBADWXKSH-UHFFFAOYSA-N |
CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccc cc4)c5c(cccc5F)O)Cl; CCC(N1CCN(CC1)c2c5c (c(nn2)c3ccccc3)cc(c4c(cccc4F)O)c(Cl)c5) =O; CCC(=O)N1CCN(CC1)c2nnc(c3ccccc3)c4cc (c(Cl)cc24)c5c(O)cccc5F |
1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}propan-1-one |
| 35981 | OJ2 | 1 | C16 H15 F3 N2 O3 | InChI=1S/C16H15F3N2O3/c17 -16(18,19)24-13-6-3-5-12( 10-13)20-15(23)21-14-7-2- 1-4-11(14)8-9-22/h1-7,10, 22H,8-9H2,(H2,20,21,23); QYTRNJRTLNCHSJ-UHFFFAOYSA-N |
OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2; c 1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F |
1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea; 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
| 35982 | OJ3 | 1 | C26 H26 F N O3 | InChI=1S/C26H26FNO3/c1-26 (31,13-5-8-18-6-3-2-4-7-1 8)23-15-19(10-12-24(23)29 )25(30)28-16-20-9-11-22(2 7)14-21(20)17-28/h2-4,6-7 ,9-12,14-15,29,31H,5,8,13 ,16-17H2,1H3/t26-/m0/s1; CRJBRLBNXARYEQ-SANMLTNESA-N |
C[C@](CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4 ccc(cc4C3)F)O; C[C@](O)(CCCc1ccccc1)c2cc (ccc2O)C(=O)N3Cc4ccc(F)cc4C3; CC(O)(CCCc 1ccccc1)c1cc(ccc1O)C(=O)N1Cc2ccc(F)cc2C1 ; CC(CCCc1ccccc1)(c2cc(ccc2O)C(=O)N3Cc4c cc(cc4C3)F)O; C[C](O)(CCCc1ccccc1)c2cc(c cc2O)C(=O)N3Cc4ccc(F)cc4C3 |
(5-fluoro-1,3-dihydro-2H-isoindol-2-yl){4-hydroxy-3-[(2S)-2-hydroxy-5-phenylpentan-2-yl]phenyl}methanone |
| 35983 | OJ4 | 3 | C18 H24 N2 O8 S2 Te | InChI=1S/C18H24N2O8S2Te/c 19-29(23,24)17-5-1-15(2-6 -17)27-9-13(21)11-31-12-1 4(22)10-28-16-3-7-18(8-4- 16)30(20,25)26/h1-8,13-14 ,21-22H,9-12H2,(H2,19,23, 24)(H2,20,25,26)/t13-,14+; JUPGTZUCOQORPY-OKILXGFUSA-N |
N[S](=O)(=O)c1ccc(OC[CH](O)C[Te]C[CH](O) COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O CC(C[Te]CC(COc2ccc(cc2)S(N)(=O)=O)O)O)S( N)(=O)=O; c1cc(ccc1OC[C@H](C[Te]C[C@H](C Oc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N; N[ S](=O)(=O)c1ccc(OC[C@H](O)C[Te]C[C@H](O) COc2ccc(cc2)[S](N)(=O)=O)cc1; c1cc(ccc1O CC(C[Te]CC(COc2ccc(cc2)S(=O)(=O)N)O)O)S( =O)(=O)N |
4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide |
| 35984 | OJ5 CHEMBL3393355 ZINC000210733407 |
2 | C16 H15 Cl N4 O | InChI=1S/C16H15ClN4O/c17- 12-3-1-2-11(8-12)13-9-18- 15-14(13)16(20-10-19-15)2 1-4-6-22-7-5-21/h1-3,8-10 H,4-7H2,(H,18,19,20); ONFLVQULIQDDSN-UHFFFAOYSA-N |
Clc1cccc(c1)c2c[nH]c3ncnc(N4CCOCC4)c23; c1cc(cc(c1)Cl)c2c[nH]c3c2c(ncn3)N4CCOCC4 |
4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine |
| 35985 | OJ6 ZINC000146812323 |
1 | C6 H12 O4 | InChI=1S/C6H12O4/c7-3-1-2 -4(8)6(10)5(3)9/h3-10H,1- 2H2/t3-,4+,5-,6-/m0/s1; WESBWDZFWNIVRV-FSIIMWSLSA-N |
O[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O; C1C[C @@H]([C@@H]([C@H]([C@@H]1O)O)O)O; C1CC(C (C(C1O)O)O)O; O[CH]1CC[CH](O)[CH](O)[CH] 1O; OC1CCC(O)C(O)C1O |
(1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol |
| 35986 | OJ7 ZINC000001397491 |
2 | C15 H10 Cl F3 N2 | InChI=1S/C15H10ClF3N2/c1- 8-13(10-4-2-3-5-12(10)21- 8)14-11(16)6-9(7-20-14)15 (17,18)19/h2-7,21H,1H3; DFUZKSKLYCWMQD-UHFFFAOYSA-N |
Cc1[nH]c2ccccc2c1c3ncc(cc3Cl)C(F)(F)F; C c1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl ; c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)ccc c3 |
3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole |
| 35987 | OJ8 ZINC000066166398 |
2 | C25 H22 N2 O3 | InChI=1S/C25H22N2O3/c28-2 4(25-27-16-23(30-25)22-8- 4-5-13-26-22)19-10-9-18-1 5-21(12-11-17(18)14-19)29 -20-6-2-1-3-7-20/h1-8,11- 13,15-16,19,24,28H,9-10,1 4H2/t19-,24-/m0/s1; HNDDBEODXBNDLJ-CYFREDJKSA-N |
c1ccc(cc1)Oc2ccc3c(c2)CCC(C3)C(c4ncc(o4) c5ccccn5)O; n5c(c1oc(nc1)C(O)C4Cc3ccc(Oc 2ccccc2)cc3CC4)cccc5; O[C@@H]([C@H]1CCc2 cc(Oc3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5; c 1ccc(cc1)Oc2ccc3c(c2)CC[C@@H](C3)[C@@H]( c4ncc(o4)c5ccccn5)O; O[CH]([CH]1CCc2cc(O c3ccccc3)ccc2C1)c4oc(cn4)c5ccccn5 |
(S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol |
| 35988 | OJ9 | 1 | C19 H13 Cl N2 O2 | InChI=1S/C19H13ClN2O2/c20 -15-7-12-5-6-24-19(12)14( 8-15)9-18(23)22-17-11-21- 10-13-3-1-2-4-16(13)17/h1 -8,10-11H,9H2,(H,22,23); BSHOYSAYHBYYEY-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc4c3occ4)Cl ; Clc1cc(CC(=O)Nc2cncc3ccccc23)c4occc4c1 ; Clc1cc2ccoc2c(c1)CC(=O)Nc1cncc2ccccc21 |
2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide |
| 35989 | OJA CHEMBL4280125 ZINC000263620729 |
6 | C28 H38 F N5 | InChI=1S/C28H38FN5/c1-21( 2)33-16-14-32(15-17-33)13 -10-30-25-8-11-34(12-9-25 )26-5-3-4-22(19-26)28-20- 23-18-24(29)6-7-27(23)31- 28/h3-7,18-21,25,30-31H,8 -17H2,1-2H3; LZHXZCVDLATFAR-UHFFFAOYSA-N |
CC(C)N1CCN(CCNC2CCN(CC2)c3cccc(c3)c4[nH] c5ccc(F)cc5c4)CC1; CC(C)N1CCN(CC1)CCNC2C CN(CC2)c3cccc(c3)c4cc5cc(ccc5[nH]4)F |
1-(3-(5-FLUORO-1H-INDOL-2-YL)PHENYL)PIPERIDIN-4-YL)(2-(4-ISOPROPYL-PIPERAZIN1-YL)ETHYL)-CARBAMATE |
| 35990 | OJB | 1 | C19 H35 N3 O8 | InChI=1S/C19H35N3O8/c1-3- 14(25)20-8-6-9-21-15(26)7 -4-5-10-29-19-16(22-12(2) 24)18(28)17(27)13(11-23)3 0-19/h13,16-19,23,27-28H, 3-11H2,1-2H3,(H,20,25)(H, 21,26)(H,22,24)/t13-,16-, 17+,18-,19-/m1/s1; IKUNNZGUTWUXRA-LQDZTQBFSA-N |
CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H] ([C@H]([C@H](O1)CO)O)O)NC(=O)C; CCC(=O)N CCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH]( O)[CH]1NC(C)=O; CCC(=O)NCCCNC(=O)CCCCO[C @@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC( C)=O; CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1 )CO)O)O)NC(=O)C |
5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide |
| 35991 | OJC | 44 | C15 H21 N5 O13 P2 | InChI=1S/C15H21N5O13P2/c1 6-12-7-13(18-3-17-12)20(4 -19-7)14-10(23)11-6(30-14 )2-29-35(26,27)33-34(24,2 5)28-1-5-8(21)9(22)15(31- 5)32-11/h3-6,8-11,14-15,2 1-23H,1-2H2,(H,24,25)(H,2 6,27)(H2,16,17,18)/t5-,6- ,8-,9-,10-,11-,14-,15+/m1 /s1; NDSLKXAJVDJCEG-ZQSHOCFMSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O [P](O)(=O)OC[CH]5O[CH](O[CH]4[CH]3O)[CH] (O)[CH]5O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H ]([C@H]4[C@H](O3)COP(=O)(OP(=O)(OC[C@@H] 5[C@H]([C@H]([C@@H](O5)O4)O)O)O)O)O)N; c 1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OP(= O)(OCC5C(C(C(O5)O4)O)O)O)O)O)N; Nc1ncnc2 c1ncn2C1OC2COP(=O)(O)OP(=O)(O)OCC3OC(OC2 C1O)C(O)C3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@ @H]4CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@@ H](O[C@H]4[C@H]3O)[C@H](O)[C@@H]5O |
(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione |
| 35992 | OJD | 5 | C12 H15 N O | InChI=1S/C12H15NO/c14-12- 8-11(9-13-12)7-6-10-4-2-1 -3-5-10/h1-5,11H,6-9H2,(H ,13,14)/t11-/m1/s1; HSOKCKRDVRKPGT-LLVKDONJSA-N |
O=C1C[C@@H](CCc2ccccc2)CN1; c1ccc(cc1)CC [C@@H]2CC(=O)NC2; O=C1C[CH](CCc2ccccc2)C N1; c1ccc(cc1)CCC2CC(=O)NC2; O=C2NCC(CCc 1ccccc1)C2 |
(4R)-4-(2-phenylethyl)pyrrolidin-2-one |
| 35993 | OJF | 1 | C73 H131 N7 O12 S | InChI=1S/C73H131N7O12S/c1 -4-7-10-13-16-19-22-25-28 -31-34-37-40-50-66(83)77- 65(73(90)80-64(55-82)72(8 9)79-63(54-81)71(88)78-62 (69(75)86)49-45-46-53-76- 70(87)60-47-43-44-48-61(6 0)74)58-93-57-59(92-68(85 )52-42-39-36-33-30-27-24- 21-18-15-12-9-6-3)56-91-6 7(84)51-41-38-35-32-29-26 -23-20-17-14-11-8-5-2/h43 -44,47-48,59,62-65,81-82H ,4-42,45-46,49-58,74H2,1- 3H3,(H2,75,86)(H,76,87)(H ,77,83)(H,78,88)(H,79,89) (H,80,90)/t59-,62-,63-,64 -,65+/m1/s1; NZIMERKBZFHPKN-KURQGRNGSA-N |
CCCCCCCCCCCCCCCC(=O)NC(CSCC(COC(=O)CCCCC CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)NC (CO)C(=O)NC(CO)C(=O)NC(CCCCNC(=O)c1ccccc 1N)C(=O)N; CCCCCCCCCCCCCCCC(=O)N[C@@H](C SC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CC CCCCCCCCCCCCC)C(=O)N[C@H](CO)C(=O)N[C@H] (CO)C(=O)N[C@H](CCCCNC(=O)c1ccccc1N)C(=O )N; CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](CO C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC CC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH ](CCCCNC(=O)c1ccccc1N)C(N)=O; CCCCCCCCCC CCCCCC(=O)N[C@@H](CSC[C@@H](COC(=O)CCCCC CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[ C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCCCN C(=O)c1ccccc1N)C(N)=O |
[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate |
| 35994 | OJG | 1 | C16 H21 N3 O2 | InChI=1S/C16H21N3O2/c20-1 2-14-11-18-15(19-14)8-4-5 -9-17-16(21)10-13-6-2-1-3 -7-13/h1-3,6-7,11,20H,4-5 ,8-10,12H2,(H,17,21)(H,18 ,19); NWJHGXOXPDGAJH-UHFFFAOYSA-N |
c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO; C(C NC(=O)Cc1ccccc1)CCc2ncc(CO)n2; OCc1[nH]c (CCCCNC(=O)Cc2ccccc2)nc1 |
N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide |
| 35995 | OJH CHEMBL4589592 |
1 | C20 H25 Br N4 O5 S | InChI=1S/C20H25BrN4O5S/c1 -12-7-8-24(10-12)31(29,30 )16-9-14(5-6-15(16)21)22- 17(26)11-25-18(27)20(2,13 -3-4-13)23-19(25)28/h5-6, 9,12-13H,3-4,7-8,10-11H2, 1-2H3,(H,22,26)(H,23,28)/ t12-,20+/m0/s1; XHAYAQCABOVSNX-FKIZINRSSA-N |
C[C@H]1CCN(C1)[S](=O)(=O)c2cc(NC(=O)CN3C (=O)N[C@](C)(C4CC4)C3=O)ccc2Br; CC1CCN(C 1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)C(N C3=O)(C)C4CC4; C[CH]1CCN(C1)[S](=O)(=O)c 2cc(NC(=O)CN3C(=O)N[C](C)(C4CC4)C3=O)ccc 2Br; C[C@H]1CCN(C1)S(=O)(=O)c2cc(ccc2Br) NC(=O)CN3C(=O)[C@@](NC3=O)(C)C4CC4 |
~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide |
| 35996 | OJI CHEMBL1651367 ZINC000040442819 |
0 | C10 H13 N5 O4 | InChI=1S/C10H13N5O4/c11-1 0-12-1-4-8(14-10)15(3-13- 4)9-7(18)6(17)5(2-16)19-9 /h1,3,5-7,9,16-18H,2H2,(H 2,11,12,14)/t5-,6-,7-,9-/ m1/s1; JVOJULURLCZUDE-JXOAFFINSA-N |
c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O; N c1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2 n1; c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@ @H]([C@H](O3)CO)O)O; Nc1ncc2ncn([C@@H]3O [C@H](CO)[C@@H](O)[C@H]3O)c2n1 |
(2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| 35997 | OJJ | 1 | C17 H23 N3 O3 | InChI=1S/C17H23N3O3/c1-23 -17(22)20(12-14-7-3-2-4-8 -14)10-6-5-9-16-18-11-15( 13-21)19-16/h2-4,7-8,11,2 1H,5-6,9-10,12-13H2,1H3,( H,18,19); GXQBRZBQKFIKRS-UHFFFAOYSA-N |
COC(=O)N(CCCCc1[nH]cc(CO)n1)Cc2ccccc2; O Cc2cnc(CCCCN(Cc1ccccc1)C(OC)=O)n2; COC(= O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2 |
methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
| 35998 | OJK | 1 | C7 H8 Cl N O2 | InChI=1S/C7H8ClNO2/c8-5-2 -6(10)4(3-9)1-7(5)11/h1-2 ,10-11H,3,9H2; HHRDPHVERPGLEM-UHFFFAOYSA-N |
NCc1cc(O)c(Cl)cc1O; c1c(c(cc(c1O)Cl)O)CN | 2-(aminomethyl)-5-chloranyl-benzene-1,4-diol |
| 35999 | OJL CHEMBL5705846 |
1 | C32 H34 F3 N5 O4 | InChI=1S/C32H34F3N5O4/c1- 5-39-10-12-40(13-11-39)18 -22-8-9-23(15-25(22)32(33 ,34)35)38-30(41)21-7-6-20 (2)27(14-21)44-31-24-16-2 8(42-3)29(43-4)17-26(24)3 6-19-37-31/h6-9,14-17,19H ,5,10-13,18H2,1-4H3,(H,38 ,41); AMHWQBGAKJESFB-UHFFFAOYSA-N |
CCN1CCN(CC1)Cc2ccc(NC(=O)c3ccc(C)c(Oc4nc nc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F; CCN1C CN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc(OC) c(OC)cc54)c3)cc2C(F)(F)F)CC1; CCN1CCN(CC 1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc 4c5cc(c(cc5ncn4)OC)OC)C |
3-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4-methylbenzamide |
| 36000 | OJM | 1 | C9 H14 N2 O3 | InChI=1S/C9H14N2O3/c1-2-1 4-9(13)4-3-8-10-5-7(6-12) 11-8/h5,12H,2-4,6H2,1H3,( H,10,11); VCUVTHVKVNCVGZ-UHFFFAOYSA-N |
CCOC(=O)CCc1[nH]cc(n1)CO; c1c(nc(CCC(=O) OCC)n1)CO; CCOC(=O)CCc1[nH]cc(CO)n1 |
ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate |