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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 20601 | FCY | 0 | C3 H7 N O2 S | InChI=1/C3H7NO2S/c4-2(1-7 )3(5)6/h2,7H,1,4H2,(H,5,6 )/t2-/m0/s1/f/h5H; XUJNEKJLAYXESH-SNQCPAJUDK |
N[CH](CS)C(O)=O; C([C@@H](C(=O)O)N)S; N[ C@@H](CS)C(O)=O; O=C(O)C(N)CS; C(C(C(=O) O)N)S |
FREE CYSTEINE |
| 20602 | FCZ CHEMBL4475845 |
1 | C16 H17 N7 O | InChI=1S/C16H17N7O/c1-7(2 )23-14-12(8(3)19-15(17)21 -14)13(22-23)9-4-5-11-10( 6-9)20-16(18)24-11/h4-7H, 1-3H3,(H2,18,20)(H2,17,19 ,21); LGAJJTHJWVAHRF-UHFFFAOYSA-N |
CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc 14; Cc1c2c(nn(c2nc(n1)N)C(C)C)c3ccc4c(c3 )nc(o4)N |
5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
| 20603 | FD0 | 14 | C29 H43 N7 O8 | InChI=1S/C29H43N7O8/c1-2- 28(42)36(21-7-4-3-5-8-21) 22-11-14-35(15-12-22)16-1 3-30-23(37)9-6-10-24(38)3 1-17-25(39)32-18-26(40)33 -19-27(41)34-20-29(43)44/ h3-5,7-8,22H,2,6,9-20H2,1 H3,(H,30,37)(H,31,38)(H,3 2,39)(H,33,40)(H,34,41)(H ,43,44); WBAFWCQXKNZRIF-UHFFFAOYSA-N |
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCNC(=O)CCCC (=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O; CCC(= O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O) NCC(=O)NCC(O)=O)CC1)c2ccccc2 |
2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid |
| 20604 | FD1 CHEMBL1161253 DB04238 ZINC000003834144 |
1 | C26 H28 N4 O5 S | InChI=1S/C26H28N4O5S/c27- 24(28)20-9-5-6-17(14-20)1 5-22(25(31)30-13-4-3-10-2 3(30)26(32)33)29-36(34,35 )21-12-11-18-7-1-2-8-19(1 8)16-21/h1-2,5-9,11-12,14 ,16,22-23,29H,3-4,10,13,1 5H2,(H3,27,28)(H,32,33)/t 22-,23+/m0/s1; GNANSBQAIRJZPA-XZOQPEGZSA-N |
[H]/N=C(\c1cccc(c1)C[C@@H](C(=O)N2CCCC[C @@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N; NC(=N)c1cccc(C[CH](N[S](=O)(=O)c2ccc3cc ccc3c2)C(=O)N4CCCC[CH]4C(O)=O)c1; O=C(N1 C(C(=O)O)CCCC1)C(NS(=O)(=O)c3cc2ccccc2cc 3)Cc4cc(C(=[N@H])N)ccc4; [H]N=C(c1cccc(c 1)CC(C(=O)N2CCCCC2C(=O)O)NS(=O)(=O)c3ccc 4ccccc4c3)N; NC(=N)c1cccc(C[C@H](N[S](=O )(=O)c2ccc3ccccc3c2)C(=O)N4CCCC[C@@H]4C( O)=O)c1 |
N-ALPHA-(2-NAPHTHYLSULFONYL)-N-(3-AMIDINO-L-PHENYLALANINYL)-D-PIPECOLINIC ACID |
| 20605 | FD2 CHEMBL343892 DB01745 ZINC000012501050 |
1 | C27 H30 N4 O5 S | InChI=1S/C27H30N4O5S/c1-3 6-27(33)20-11-13-31(14-12 -20)26(32)24(16-18-5-4-8- 22(15-18)25(28)29)30-37(3 4,35)23-10-9-19-6-2-3-7-2 1(19)17-23/h2-10,15,17,20 ,24,30H,11-14,16H2,1H3,(H 3,28,29)/t24-/m0/s1; JJLGQWCKMHPBEB-DEOSSOPVSA-N |
[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC 2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)\N; C OC(=O)[CH]1CCN(CC1)C(=O)[CH](Cc2cccc(c2) C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c3; O=C(N 1CCC(C(=O)OC)CC1)C(NS(=O)(=O)c3cc2ccccc2 cc3)Cc4cc(C(=[N@H])N)ccc4; [H]N=C(c1cccc (c1)CC(C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O) c3ccc4ccccc4c3)N; COC(=O)[C@H]1CCN(CC1)C (=O)[C@H](Cc2cccc(c2)C(N)=N)N[S](=O)(=O) c3ccc4ccccc4c3 |
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER |
| 20606 | FD3 CHEMBL1161244 ZINC000002043468 |
1 | C24 H27 N5 O3 S | InChI=1S/C24H27N5O3S/c25- 23(26)20-7-3-4-17(14-20)1 5-22(24(30)29-12-10-27-11 -13-29)28-33(31,32)21-9-8 -18-5-1-2-6-19(18)16-21/h 1-9,14,16,22,27-28H,10-13 ,15H2,(H3,25,26)/t22-/m0/ s1; ZVDMTWWOKZXJOE-QFIPXVFZSA-N |
[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2 )NS(=O)(=O)c3ccc4ccccc4c3)\N; [H]N=C(c1c ccc(c1)CC(C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4 ccccc4c3)N; NC(=N)c1cccc(C[CH](N[S](=O)( =O)c2ccc3ccccc3c2)C(=O)N4CCNCC4)c1; NC(= N)c1cccc(C[C@H](N[S](=O)(=O)c2ccc3ccccc3 c2)C(=O)N4CCNCC4)c1; O=C(N1CCNCC1)C(NS(= O)(=O)c3cc2ccccc2cc3)Cc4cc(C(=[N@H])N)cc c4 |
N-ALPHA-(2-NAPHTHYLSULFONYL)-3-AMIDINO-L-PHENYLALANINE PIPERAZIDE |
| 20607 | FD4 CHEMBL104815 DB04125 ZINC000012504152 |
1 | C26 H29 N5 O4 S | InChI=1S/C26H29N5O4S/c1-1 8(32)30-11-13-31(14-12-30 )26(33)24(16-19-5-4-8-22( 15-19)25(27)28)29-36(34,3 5)23-10-9-20-6-2-3-7-21(2 0)17-23/h2-10,15,17,24,29 H,11-14,16H2,1H3,(H3,27,2 8)/t24-/m0/s1; ZUWBXGHMVKDMQO-DEOSSOPVSA-N |
CC(=O)N1CCN(CC1)C(=O)C(Cc2cccc(c2)C(=N)N )NS(=O)(=O)c3ccc4ccccc4c3; CC(=O)N1CCN(C C1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)( =O)c3ccc4ccccc4c3; O=C(N4CCN(C(=O)C(NS(= O)(=O)c2cc1ccccc1cc2)Cc3cc(C(=[N@H])N)cc c3)CC4)C; CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2 cccc(c2)C(N)=N)N[S](=O)(=O)c3ccc4ccccc4c 3; CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2 )C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3 |
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)-4-ACETYL-PIPERAZINE |
| 20608 | FD5 | 1 | C42 H54 N9 O21 P S4 | InChI=1S/C42H45N9O21PS4/c 1-20-14-27-28(15-21(20)2) 50(18-29(52)38(54)30(53)1 9-72-73(58,59)60)40-37(44 -27)41(56)51(42(57)45-40) 71-12-13-75(63,64)26-10-6 -24(7-11-26)46-48-35-31(7 6(65,66)67)16-22-17-32(77 (68,69)70)36(39(55)33(22) 34(35)43)49-47-23-4-8-25( 9-5-23)74(3,61)62/h4-12,1 6-17,46-49,55,61-70H,13,1 8-19,43H2,1-3H3,(H2,58,59 ,60)/q-1/p-2; TXYTWWRFFRJGBC-UHFFFAOYSA-L |
Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NNc5c (N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(cc6c c5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3N(C [CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1 C; Cc1cc2N=C3C(=O)N(OCC[S](O)(O)c4ccc(NN c5c(N)c6c(O)c(NNc7ccc(cc7)[S](C)(O)O)c(c c6cc5[S](O)(O)O)[S](O)(O)O)cc4)C(=O)N=C3 N(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)= O)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O )C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6 c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O) (O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O |
[5-[3-[2-[[4-[2-[1-azanyl-7-[2-[4-[methyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]hydrazinyl]-8-oxidanyl-3,6-bis[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalen-2-yl]hydrazinyl]phenyl]-bis(oxidanyl)-$l^{4}-sulfanyl]ethoxy]-7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate; FAD DERIVATIVE |
| 20609 | FD6 | 1 | C19 H23 Cl N4 S | InChI=1S/C19H23ClN4S/c1-2 2-10-12-23(13-11-22)21-8- 9-24-16-4-2-3-5-18(16)25- 19-7-6-15(20)14-17(19)24/ h2-7,14,21H,8-13H2,1H3; FCJWPLVHJGKUHJ-UHFFFAOYSA-N |
CN1CCN(CC1)NCCN2c3ccccc3Sc4c2cc(cc4)Cl; CN1CCN(CC1)NCCN2c3ccccc3Sc4ccc(Cl)cc24 |
N-[2-(2-chloranylphenothiazin-10-yl)ethyl]-4-methyl-piperazin-1-amine; FD16 |
| 20610 | FD7 CHEMBL5082711 |
9 | C14 H22 N4 O | InChI=1S/C14H22N4O/c1-4-1 0-8-7-9-11(5-2)12(10)17-1 4(19)18-13(15)16-6-3/h7-9 H,4-6H2,1-3H3,(H4,15,16,1 7,18,19); VHGRQUGTHVVVTE-UHFFFAOYSA-N |
c1(c(cccc1CC)CC)NC(=O)N/C(=N)NCC; CCc1cc cc(c1NC(=O)NC(=N)NCC)CC; [H]/N=C(/NCC)\N C(=O)Nc1c(cccc1CC)CC; CCNC(=N)NC(=O)Nc1c (CC)cccc1CC |
N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea |
| 20611 | FD8 ZINC000064746569 |
8 | C20 H9 F8 N O2 | InChI=1S/C20H9F8NO2/c21-1 3-14(22)16(24)18(17(25)15 (13)23)31-10-5-3-4-9(8-10 )29-19(30)11-6-1-2-7-12(1 1)20(26,27)28/h1-8H,(H,29 ,30); ZTJJBXFGRJEBCQ-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)Nc2cccc(c2)Oc3c(c(c(c(c3 F)F)F)F)F)C(F)(F)F; Fc1c(F)c(F)c(Oc2cccc (NC(=O)c3ccccc3C(F)(F)F)c2)c(F)c1F |
N-[3-(pentafluorophenoxy)phenyl]-2-(trifluoromethyl)benzamide |
| 20612 | FD9 CHEMBL3422676 ZINC000231375061 |
1 | C26 H25 N5 O3 | InChI=1S/C26H25N5O3/c1-16 -23(17(2)34-30-16)15-31-1 4-18(13-27)22-12-21(9-10- 25(22)31)33-20-7-5-19(6-8 -20)29-26(32)24-4-3-11-28 -24/h5-10,12,14,24,28H,3- 4,11,15H2,1-2H3,(H,29,32) /t24-/m0/s1; NDIKFKQBWGMLCA-DEOSSOPVSA-N |
Cc1c(c(on1)C)Cn2cc(c3c2ccc(c3)Oc4ccc(cc4 )NC(=O)[C@@H]5CCCN5)C#N; Cc1c(c(on1)C)Cn 2cc(c3c2ccc(c3)Oc4ccc(cc4)NC(=O)C5CCCN5) C#N; Cc1onc(C)c1Cn2cc(C#N)c3cc(Oc4ccc(NC (=O)[CH]5CCCN5)cc4)ccc23; Cc1onc(C)c1Cn2 cc(C#N)c3cc(Oc4ccc(NC(=O)[C@@H]5CCCN5)cc 4)ccc23 |
(2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide |
| 20613 | FDA ZINC000095099885 |
411 | C27 H35 N9 O15 P2 | InChI=1S/C27H35N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,19-21,26,32,37-41H ,5-7H2,1-2H3,(H,44,45)(H, 46,47)(H2,28,29,30)(H2,33 ,34,42,43)/t14-,15+,16+,1 9-,20+,21+,26+/m0/s1; YPZRHBJKEMOYQH-UYBVJOGSSA-N |
Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC( C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cn c6c5ncnc6N)O)O)O)O)O; Cc1cc2NC3=C(NC(=O) NC3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(= O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O) n5cnc6c(N)ncnc56)c2cc1C; Cc1cc2NC3=C(NC( =O)NC3=O)N(C[C@H](O)[C@H](O)[C@H](O)CO[P @](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H ](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C; O= C3C=2Nc1cc(c(cc1N(C=2NC(=O)N3)CC(O)C(O)C (O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncn c45)N)C(O)C6O)C)C; Cc1cc2c(cc1C)N(C3=C(N 2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO [P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]( [C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O |
DIHYDROFLAVINE-ADENINE DINUCLEOTIDE |
| 20614 | FDB CHEMBL3318499 ZINC000032203833 |
4 | C7 H8 N4 O | InChI=1S/C7H8N4O/c1-3-2-9 -5-4(3)6(12)11-7(8)10-5/h 2H,1H3,(H4,8,9,10,11,12); AYVRAXSWHNOEEQ-UHFFFAOYSA-N |
O=C1c2c(cnc2N=C(N)N1)C; Cc1c[nH]c2c1C(=O )NC(=N2)N; Cc1c[nH]c2N=C(N)NC(=O)c12 |
2-amino-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one |
| 20615 | FDC | 0 | C12 H22 Fe2 O14 | InChI=1/2C6H14O7.2Fe/c2*7 -3(8)1-6(13,5(11)12)2-4(9 )10;;/h2*3-5,7-13H,1-2H2; ;/rC12H28Fe2O14/c15-5-1-1 1-3-7(17)23-14-22-6(16)2- 12(10(20)26-14)4-8(18)24- 13(21-5,27(11)14,28(12)14 )25-9(11)19/h5-10,15-28H, 1-4H2/t5-,6+,7-,8-,9?,10+ ,11+,12-/m1/s1; BGURZCSVZZTKOB-BNYKURMYBT |
C1C([OH][Fe]234[OH]C(CC56[OH]2[Fe]7([OH] 3C1(CC([OH]7)[O])C([OH]4)[O])([OH]C(C5)[ O])[OH]C6[O])[O])[O]; [O][C@@H]1O|[Fe]23 |4|O[C@H]([O])CC5(C[C@H]([O])O|[Fe]|67(| O[C@@H]([O])CC(C1)([C@H]([O])O|6)[OH]27) [OH]35)[C@@H]([O])O|4; [O][CH]1O|[Fe]23| 4|O[CH]([O])CC5(C[CH]([O])O|[Fe]|67(|O[C H]([O])CC(C1)([CH]([O])O|6)[OH]27)[OH]35 )[CH]([O])O|4; C1C([O@@H][Fe]234[O@H]C(C [C@@]56[OH]2[Fe]7([OH]3[C@]1(CC([O@@H]7) [O])C([O@@H]4)[O])([O@H]C(C5)[O])[O@H]C6 [O])[O])[O] |
IRON(III) DICITRATE; DINUCLEAR FERRIC CITRATE |
| 20616 | FDD | 2 | C32 H32 Fe N4 O4 | InChI=1S/C32H34N4O4.Fe/c1 -15-17(3)25-12-27-19(5)21 (7-9-31(37)38)29(35-27)14 -30-22(8-10-32(39)40)20(6 )28(36-30)13-26-18(4)16(2 )24(34-26)11-23(15)33-25; /h11-14H,7-10H2,1-6H3,(H4 ,33,34,35,36,37,38,39,40) ;/q;+7/p-2/b23-11-,24-11- ,25-12-,26-13-,27-12-,28- 13-,29-14-,30-14-;; FALMRKXKKOZWNG-YDTHOXGASA-L |
Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe@@+3]47n2 c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O)C(=C3 C)CCC(=O)O)C; Cc1c(C)c2C=C3C(=C(CCC(O)=O )C4=[N@+]3[Fe@@+3]56n2c1C=C7C(=C(C)C(=[N @@+]57)C=C8[N@@]6C(=C4)C(=C8C)CCC(O)=O)C )C; O=C(O)CCC5=C(c4cc3C(=C(C2=Cc8c(c(c7c c1C(=C(C6=[n+]1[Fe+3]([n+]23)(n4C5=C6)n7 8)CCC(=O)O)C)C)C)C)C)C; Cc1c(C)c2C=C3C(= C(CCC(O)=O)C4=[N+]3[Fe+3]56n2c1C=C7C(=C( C)C(=[N+]57)C=C8[N]6C(=C4)C(=C8C)CCC(O)= O)C)C; Cc1c(c2cc3[n+]4c(cc5c(c(c6n5[Fe+3 ]47n2c1cc8[n+]7c(c6)C(=C8C)C)C)CCC(=O)O) C(=C3C)CCC(=O)O)C |
FE(III) 2,4-DIMETHYL DEUTEROPORPHYRIN IX |
| 20617 | FDE | 31 | C30 H28 Fe N4 O4 | InChI=1S/C30H30N4O4.Fe/c1 -15-9-20-12-25-17(3)21(5- 7-29(35)36)27(33-25)14-28 -22(6-8-30(37)38)18(4)26( 34-28)13-24-16(2)10-19(32 -24)11-23(15)31-20;/h9-14 H,5-8H2,1-4H3,(H4,31,32,3 3,34,35,36,37,38);/q;+2/p -2/b19-11-,20-12-,23-11-, 24-13-,25-12-,26-13-,27-1 4-,28-14-;; QQYZTXBVPVYDJC-RWRCOHKGSA-L |
CC1=CC2=Cc3n4[Fe][N]5C(=CC1=N2)C(=C(CCC( O)=O)C5=CC6=NC(=Cc4cc3C)C(=C6CCC(O)=O)C) C; Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C (C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2) C)CCC(=O)O)C; CC1=CC2=Cc3n4[Fe][N@@]5C(= CC1=N2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4cc3C) C(=C6CCC(O)=O)C)C |
FE(III) DEUTEROPORPHYRIN IX |
| 20618 | FDF ZINC000064446573 |
9 | C15 H26 F2 O7 P2 | InChI=1S/C15H26F2O7P2/c1- 13(7-4-8-15(11-16)12-17)5 -3-6-14(2)9-10-23-26(21,2 2)24-25(18,19)20/h5,8-9H, 3-4,6-7,10-12H2,1-2H3,(H, 21,22)(H2,18,19,20)/b13-5 +,14-9+; PVNRGYDHHSWPHV-HJAIQHMZSA-N |
CC(/CCC=C(CF)CF)=C\CCC(/C)=C/CO[P@@](O)( =O)O[P](O)(O)=O; FC/C(=C\CCC(=C\CC/C(=C/ COP(=O)(OP(=O)(O)O)O)C)\C)CF; CC(=CCCC(= CCOP(=O)(O)OP(=O)(O)O)C)CCC=C(CF)CF; C/C (=C\CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/ CCC=C(CF)CF; CC(CCC=C(CF)CF)=CCCC(C)=CCO [P](O)(=O)O[P](O)(O)=O |
(2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| 20619 | FDG ZINC000058632949 |
0 | C10 H13 F N5 O8 P | InChI=1S/C10H13FN5O8P/c11 -3-5(17)2(1-23-25(20,21)2 2)24-8(3)16-6-4(13-10(16) 19)7(18)15-9(12)14-6/h2-3 ,5,8,17H,1H2,(H,13,19)(H2 ,20,21,22)(H3,12,14,15,18 )/t2-,3+,5-,8-/m1/s1; UPQKRMLTATYYQE-HFZKREBBSA-N |
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C3=C(C (=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O; O=P(O )(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(F) C3O; NC1=NC2=C(NC(=O)N2[C@@H]3O[C@H](CO[ P](O)(O)=O)[C@@H](O)[C@@H]3F)C(=O)N1; NC 1=NC2=C(NC(=O)N2[CH]3O[CH](CO[P](O)(O)=O )[CH](O)[CH]3F)C(=O)N1; C(C1C(C(C(O1)N2C 3=C(C(=O)NC(=N3)N)NC2=O)F)O)OP(=O)(O)O |
2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7,9-dihydro-1H-purine-6,8-dione |
| 20620 | FDH CHEMBL4549761 |
1 | C15 H14 Cl N7 O | InChI=1S/C15H14ClN7O/c1-6 (2)23-13-10(12(16)20-14(1 7)21-13)11(22-23)7-3-4-9- 8(5-7)19-15(18)24-9/h3-6H ,1-2H3,(H2,18,19)(H2,17,2 0,21); YDFGZXSSYDSJRM-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc( n2)N)Cl; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c( Cl)nc(N)nc14 |
5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
| 20621 | FDI DB07762 ZINC000002047891 |
1 | C15 H20 N2 O4 | InChI=1S/C15H20N2O4/c1-4- 10(5-2)14(19)17-13-8-11(1 5(20)21)6-7-12(13)16-9(3) 18/h6-8,10H,4-5H2,1-3H3,( H,16,18)(H,17,19)(H,20,21 ); USKXJFHTBQWXCS-UHFFFAOYSA-N |
CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O; O= C(Nc1cc(ccc1NC(=O)C)C(=O)O)C(CC)CC; CCC( CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O |
4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID |
| 20622 | FDJ | 2 | C11 H18 Cl N2 O13 P3 | InChI=1S/C11H18ClN2O13P3/ c1-5-3-14(11(17)13-9(5)16 )8-2-6(15)7(26-8)4-25-30( 23,24)27-29(21,22)10(12)2 8(18,19)20/h3,6-8,10,15H, 2,4H2,1H3,(H,21,22)(H,23, 24)(H,13,16,17)(H2,18,19, 20)/t6-,7+,8+,10+/m0/s1; AEQPCMIHLIQHEG-OKJYPTKPSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP (=O)(C(P(=O)(O)O)Cl)O)O; CC1=CN(C(=O)NC1 =O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(= O)([C@@H](P(=O)(O)O)Cl)O)O; C1(NC(=O)C(C )=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)( O)=O)Cl)=O)=O; CC1=CN([CH]2C[CH](O)[CH]( CO[P](O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O) =O)O2)C(=O)NC1=O; CC1=CN([C@H]2C[C@H](O) [C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](Cl)[ P](O)(O)=O)O2)C(=O)NC1=O |
5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
| 20623 | FDK | 1 | C7 H12 O5 | InChI=1S/C7H12O5/c8-2-3-1 -4(9)6(11)7(12)5(3)10/h1, 4-12H,2H2/t4-,5-,6-,7-/m0 /s1; PJPGMULJEYSZBS-AXMZGBSTSA-N |
OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O; C1=C(C(C(C(C1O)O)O)O)CO; C1=C([C@@H]([C@ @H]([C@H]([C@H]1O)O)O)O)CO; OCC1=C[CH](O )[CH](O)[CH](O)[CH]1O |
(1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol |
| 20624 | FDL ZINC000098208874 |
0 | C18 H23 N3 O4 | InChI=1S/C18H23N3O4/c1-11 -9-17(23)25-16-10-13(6-7- 14(11)16)21-18(24)15(19)5 -3-4-8-20-12(2)22/h6-7,9- 10,15H,3-5,8,19H2,1-2H3,( H,20,22)(H,21,24)/t15-/m0 /s1; CDFJPCDMYIJWOC-HNNXBMFYSA-N |
CC1=CC(=O)Oc2c1ccc(c2)NC(=O)[C@H](CCCCNC (=O)C)N; CC1=CC(=O)Oc2c1ccc(c2)NC(=O)C(C CCCNC(=O)C)N; CC(=O)NCCCC[C@H](N)C(=O)Nc 1ccc2C(=CC(=O)Oc2c1)C; O=C(NCCCCC(N)C(=O )Nc2ccc1c(OC(=O)C=C1C)c2)C; CC(=O)NCCCC[ CH](N)C(=O)Nc1ccc2C(=CC(=O)Oc2c1)C |
N~6~-acetyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-L-lysinamide |
| 20625 | FDM CHEMBL1160619 DB03195 ZINC000006521360 |
2 | C10 H14 F N2 O7 P | InChI=1S/C10H14FN2O7P/c1- 5-3-13(10(15)12-9(5)14)8- 2-6(11)7(20-8)4-19-21(16, 17)18/h3,6-8H,2,4H2,1H3,( H,12,14,15)(H2,16,17,18)/ t6-,7+,8+/m0/s1; GGCAVPJXJISBOA-XLPZGREQSA-N |
CC1=CN([C@H]2C[C@H](F)[C@@H](CO[P](O)(O) =O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1C)C2OC (C(F)C2)COP(=O)(O)O; CC1=CN(C(=O)NC1=O)[ C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F; CC1 =CN([CH]2C[CH](F)[CH](CO[P](O)(O)=O)O2)C (=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)C OP(=O)(O)O)F |
3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE; PHOSPHORIC ACID MONO-[3-FLUORO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYRO-FURAN-2-YLMETHYL] ESTER |
| 20626 | FDN DB07763 ZINC000024798879 |
1 | C16 H12 F2 N2 O3 | InChI=1S/C16H12F2N2O3/c1- 16(12-8-7-10(17)9-13(12)1 8)14(21)20(15(22)23-16)19 -11-5-3-2-4-6-11/h2-9,19H ,1H3/t16-/m0/s1; OZZFJGCAYWBVBI-INIZCTEOSA-N |
C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(c c3F)F; C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3c cc(F)cc3F; CC1(C(=O)N(C(=O)O1)Nc2ccccc2) c3ccc(cc3F)F; C[C]1(OC(=O)N(Nc2ccccc2)C1 =O)c3ccc(F)cc3F; O=C2OC(C(=O)N2Nc1ccccc1 )(c3ccc(F)cc3F)C |
(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE; 5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE |
| 20627 | FDO | 1 | C7 H16 N2 O | InChI=1S/C7H16N2O/c1-5(2) 4-6(9-3)7(8)10/h5-6,9H,4H 2,1-3H3,(H2,8,10)/t6-/m1/ s1; FBFNXGHTGRJJHX-ZCFIWIBFSA-N |
CN[C@H](CC(C)C)C(N)=O; CC(C)CC(C(=O)N)NC ; CC(C)C[C@H](C(=O)N)NC; CN[CH](CC(C)C)C (N)=O |
(2~{R})-4-methyl-2-(methylamino)pentanamide |
| 20628 | FDP ZINC000004228295 |
87 | C6 H14 O12 P2 | InChI=1S/C6H14O12P2/c7-2- 6(18-20(13,14)15)5(9)4(8) 3(17-6)1-16-19(10,11)12/h 3-5,7-9H,1-2H2,(H2,10,11, 12)(H2,13,14,15)/t3-,4-,5 +,6+/m1/s1; YXWOAJXNVLXPMU-ZXXMMSQZSA-N |
O=P(OC1(OC(C(O)C1O)COP(=O)(O)O)CO)(O)O; C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O) (O)O)O)O)OP(=O)(O)O; OC[C]1(O[CH](CO[P]( O)(O)=O)[CH](O)[CH]1O)O[P](O)(O)=O; OC[C @]1(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H] 1O)O[P](O)(O)=O; C(C1C(C(C(O1)(CO)OP(=O) (O)O)O)O)OP(=O)(O)O |
2,6-di-O-phosphono-beta-D-fructofuranose; FRUCTOSE-2,6-DIPHOSPHATE; 2,6-di-O-phosphono-beta-D-fructose; 2,6-di-O-phosphono-D-fructose; 2,6-di-O-phosphono-fructose |
| 20629 | FDQ DB02393 ZINC000005829950 |
1 | C6 H14 O10 P2 | InChI=1S/C6H14O10P2/c7-5- 3(1-15-18(12,13)14)16-4(6 (5)8)2-17(9,10)11/h3-8H,1 -2H2,(H2,9,10,11)(H2,12,1 3,14)/t3-,4+,5-,6-/m1/s1; YBOWGOLYQKBCFB-JGWLITMVSA-N |
O[CH]1[CH](O)[CH](C[P](O)(O)=O)O[CH]1CO[ P](O)(O)=O; O[C@H]1[C@H](O)[C@H](C[P](O) (O)=O)O[C@@H]1CO[P](O)(O)=O; O=P(OCC1OC( C(O)C1O)CP(=O)(O)O)(O)O; C([C@@H]1[C@H]( [C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O )O; C(C1C(C(C(O1)CP(=O)(O)O)O)O)OP(=O)(O )O |
2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol; D-GLUCO-2,5-ANHYDRO-1-DEOXY-1-PHOSPHONOHEXITOL-6-PHOSPHATE |
| 20630 | FDR CHEMBL1300272 ZINC000018213251 |
3 | C10 H10 N2 O S | InChI=1S/C10H10N2OS/c1-5- 11-9(13)8-6-3-2-4-7(6)14- 10(8)12-5/h2-4H2,1H3,(H,1 1,12,13); SSAMSKJKRMKXFV-UHFFFAOYSA-N |
CC1=Nc2c(c3c(s2)CCC3)C(=O)N1; CC1=Nc2sc3 CCCc3c2C(=O)N1; O=C1c2c3c(sc2N=C(N1)C)CC C3 |
2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| 20631 | FDS CHEMBL1232699 DB07764 ZINC000005847030 |
8 | C20 H14 O5 | InChI=1S/C20H14O5/c21-11- 5-7-15-17(9-11)25-18-10-1 2(22)6-8-16(18)19(15)13-3 -1-2-4-14(13)20(23)24/h1- 10,19,21-22H,(H,23,24); MURGITYSBWUQTI-UHFFFAOYSA-N |
c1ccc(c(c1)C2c3ccc(cc3Oc4c2ccc(c4)O)O)C( =O)O; OC(=O)c1ccccc1[C@@H]2c3ccc(O)cc3Oc 4cc(O)ccc24; O=C(O)c1ccccc1C3c4c(Oc2c3cc c(O)c2)cc(O)cc4; OC(=O)c1ccccc1[CH]2c3cc c(O)cc3Oc4cc(O)ccc24 |
FLUORESCIN |
| 20632 | FDT DB02816 ZINC000103541321 |
1 | C10 H10 N4 O3 S | InChI=1S/C10H10N4O3S/c1-1 4-3-7(12-13-14)9-6(4-15)2 -11-8(5-18-9)10(16)17/h2- 5,9,11H,1H3,(H,16,17)/t9- /m0/s1; BCPHJDLBOJMWOD-VIFPVBQESA-N |
Cn1cc(nn1)[C@@H]2C(=CNC(=CS2)C(=O)O)C=O; Cn1cc(nn1)[C@H]2SC=C(NC=C2C=O)C(O)=O; O =C(O)C=1NC=C(C=O)C(SC=1)c2nnn(c2)C; Cn1c c(nn1)C2C(=CNC(=CS2)C(=O)O)C=O; Cn1cc(nn 1)[CH]2SC=C(NC=C2C=O)C(O)=O |
(7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID; 7-(1-METHYL-1,2,3-TRIAZOL-4-YL)-6-FORMYL-2,7-DIHYDRO-[1,4]THIAZEPINE-3-CARBOXYLIC ACID; BRL42715; C6-(N1-METHYL-1,2,3-TRIAZOLYLMETHYLENE)PENEM |
| 20633 | FDU CHEMBL2368299 ZINC000026721200 |
2 | C11 H11 F N2 O5 | InChI=1S/C11H11FN2O5/c1-2 -5-3-14(11(18)13-9(5)17)1 0-7(12)8(16)6(4-15)19-10/ h1,3,6-8,10,15-16H,4H2,(H ,13,17,18)/t6-,7+,8-,10-/ m1/s1; YEEGMPUOCRQFRV-IBCQBUCCSA-N |
OC[CH]1O[CH]([CH](F)[CH]1O)N2C=C(C#C)C(= O)NC2=O; O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2 F)CO; OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N 2C=C(C#C)C(=O)NC2=O; C#CC1=CN(C(=O)NC1=O )[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F; C#C C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F |
1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione; (2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE |
| 20634 | FDV | 1 | C12 H21 N2 O13 P3 | InChI=1S/C12H21N2O13P3/c1 -6-4-14(12(17)13-11(6)16) 10-3-8(15)9(26-10)5-25-30 (23,24)27-29(21,22)7(2)28 (18,19)20/h4,7-10,15H,3,5 H2,1-2H3,(H,21,22)(H,23,2 4)(H,13,16,17)(H2,18,19,2 0)/t7-,8-,9+,10+/m0/s1; UWVKVMOYWXUGRK-AXTSPUMRSA-N |
C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O)O C[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O; C[C@@H]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O )OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)N C2=O; N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)CO P(=O)(O)OP(O)(C(P(=O)(O)O)C)=O; CC1=CN(C (=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C(C )P(=O)(O)O)O)O; CC1=CN(C(=O)NC1=O)[C@H]2 C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)([C@@H] (C)P(=O)(O)O)O)O |
5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine |
| 20635 | FDW CHEMBL4529672 |
1 | C15 H16 N8 O | InChI=1S/C15H16N8O/c1-6(2 )23-13-10(12(16)20-14(17) 21-13)11(22-23)7-3-4-9-8( 5-7)19-15(18)24-9/h3-6H,1 -2H3,(H2,18,19)(H4,16,17, 20,21); HGZOUPKZPOAOOQ-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(nc( n2)N)N; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N )nc(N)nc14 |
3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
| 20636 | FDX | 3 | C15 H25 N3 O6 S | InChI=1S/C15H25N3O6S/c1-1 8(2)13(20)10-3-7(5-16-10) 25-11-4-9(8(6-19)14(21)22 )17-12(11)15(23)24/h7-11, 14,16,19,21-22H,3-6H2,1-2 H3,(H,23,24)/t7-,8-,9-,10 -,11+/m1/s1; XKDKVNYTYXSQPL-ILAIQSSSSA-N |
CN(C)C(=O)C1CC(SC2CC(N=C2C(=O)O)C(CO)C(O )O)CN1; CN(C)C(=O)[C@H]1C[C@H](CN1)S[C@H ]2C[C@@H](N=C2C(O)=O)[C@@H](CO)C(O)O; CN (C)C(=O)[C@H]1C[C@H](CN1)S[C@H]2C[C@@H]( N=C2C(=O)O)[C@@H](CO)C(O)O; CN(C)C(=O)[C H]1C[CH](CN1)S[CH]2C[CH](N=C2C(O)=O)[CH] (CO)C(O)O; CN(C)C(=O)C1CC(CN1)SC2CC(N=C2 C(=O)O)C(CO)C(O)O |
(2R,4S)-2-(1,3-dihydroxypropan-2-yl)-4-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
| 20637 | FDY | 1 | C11 H18 F N2 O13 P3 | InChI=1S/C11H18FN2O13P3/c 1-5-3-14(11(17)13-9(5)16) 8-2-6(15)7(26-8)4-25-30(2 3,24)27-29(21,22)10(12)28 (18,19)20/h3,6-8,10,15H,2 ,4H2,1H3,(H,21,22)(H,23,2 4)(H,13,16,17)(H2,18,19,2 0)/t6-,7+,8+,10+/m0/s1; XUHVKXPQGWCRQM-OKJYPTKPSA-N |
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O )O[P](O)(=O)[C@H](F)[P](O)(O)=O)O2)C(=O) NC1=O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([ C@H](O2)COP(=O)(O)OP(=O)([C@H](F)P(=O)(O )O)O)O; C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP (=O)(O)OP(O)(C(P(O)(O)=O)F)=O)=O; CC1=CN (C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(C (F)P(=O)(O)O)O)O; CC1=CN([CH]2C[CH](O)[C H](CO[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)( O)=O)O2)C(=O)NC1=O |
5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
| 20638 | FDZ ZINC000584905576 |
1 | C10 H7 F3 N4 O2 S | InChI=1S/C10H7F3N4O2S/c11 -10(12,13)19-7-3-1-2-6(4- 7)15-9(18)16-8-5-14-17-20 -8/h1-5H,(H2,15,16,18); CKHACPXJTNTCBW-UHFFFAOYSA-N |
c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2; FC( F)(F)Oc1cccc(NC(=O)Nc2snnc2)c1 |
1-(1,2,3-thiadiazol-5-yl)-3-[3-(trifluoromethoxy)phenyl]urea |
| 20639 | FE DB13949 |
7767 | Fe | InChI=1S/Fe/q+3; VTLYFUHAOXGGBS-UHFFFAOYSA-N |
[Fe+3] | FE (III) ION |
| 20640 | FE0 | 2 | C6 H12 O4 | InChI=1S/C6H12O4/c7-2-3-4 (8)1-5(9)6(3)10/h3-10H,1- 2H2/t3-,4-,5+,6+/m1/s1; KWAKQXVHPAXYRX-ZXXMMSQZSA-N |
C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)O; OC[ C@@H]1[C@H](O)C[C@H](O)[C@H]1O; OC[CH]1[ CH](O)C[CH](O)[CH]1O; C1C(C(C(C1O)O)CO)O |
(1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol |
| 20641 | FE1 CHEMBL1232702 DB07765 ZINC000053683191 |
7 | C22 H26 N8 O3 | InChI=1S/C22H26N8O3/c1-29 (12-15-11-25-19-17(26-15) 18(23)27-22(24)28-19)16-5 -3-13(4-6-16)20(31)30-9-7 -14(8-10-30)21(32)33-2/h3 -6,11,14H,7-10,12H2,1-2H3 ,(H4,23,24,25,27,28); UKCFUFHREWUXJJ-UHFFFAOYSA-N |
O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3) N4CCC(C(=O)OC)CC4; CN(Cc1cnc2c(n1)c(nc(n 2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC; COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3c nc4nc(N)nc(N)c4n3 |
METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE; 903R |
| 20642 | FE2 DB14510 |
3846 | Fe | InChI=1S/Fe/q+2; CWYNVVGOOAEACU-UHFFFAOYSA-N |
[Fe+2]; [Fe++] | FE (II) ION |
| 20643 | FE3 | 0 | C9 H10 Cl N O2 | InChI=1S/C9H10ClNO2/c10-8 -5-7(9(12)13)2-1-6(8)3-4- 11/h1-2,5H,3-4,11H2,(H,12 ,13); YJVHGANWEFKXDQ-UHFFFAOYSA-N |
NCCc1ccc(cc1Cl)C(O)=O; c1cc(c(cc1C(=O)O) Cl)CCN; Clc1cc(ccc1CCN)C(=O)O |
4-(2-aminoethyl)-3-chlorobenzoic acid |
| 20644 | FE5 CHEMBL3545097 DB11836 ZINC000073069271 |
1 | C15 H15 N7 O | InChI=1S/C15H15N7O/c1-7(2 )22-14-11(13(16)18-6-19-1 4)12(21-22)8-3-4-10-9(5-8 )20-15(17)23-10/h3-7H,1-2 H3,(H2,17,20)(H2,16,18,19 ); GYLDXIAOMVERTK-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn 2)N; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc nc14 |
5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
| 20645 | FE6 CHEMBL5266569 |
1 | C12 H8 Br Cl F N5 | InChI=1S/C12H8BrClFN5/c13 -7-2-1-6(9(15)3-7)5-20-11 -8(4-17-20)10(14)18-12(16 )19-11/h1-4H,5H2,(H2,16,1 8,19); UKBISIPKUKNJKU-UHFFFAOYSA-N |
Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1; c1cc (c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl |
1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine |
| 20646 | FE7 CHEMBL514409 ZINC000003944221 |
5 | C29 H32 N4 O3 S | InChI=1S/C29H32N4O3S/c1-2 -37(35,36)32-24-15-16-26- 25(19-24)27(29(34)31-26)2 8(22-9-5-3-6-10-22)30-23- 13-11-21(12-14-23)20-33-1 7-7-4-8-18-33/h3,5-6,9-16 ,19,30,32H,2,4,7-8,17-18, 20H2,1H3,(H,31,34)/b28-27 -; GLDSKRNGVVYJAB-DQSJHHFOSA-N |
CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c3ccccc3)Nc4 ccc(cc4)CN5CCCCC5)C(=O)N2; c\15c(NC(=O)C /1=C(\c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc( c5)NS(CC)(=O)=O; CC[S](=O)(=O)Nc1ccc2NC( =O)C(=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c2 c1; CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3cc c(CN4CCCCC4)cc3)/c5ccccc5)/c2c1; CCS(=O) (=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc( cc4)CN5CCCCC5)/C(=O)N2 |
N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide |
| 20647 | FE8 | 0 | C33 H46 N8 O5 S | InChI=1S/C33H46N8O5S/c34- 31(45)28-21-47-20-25-10-4 -2-8-23(25)17-40(16-22-7- 1-3-9-24(22)19-42)18-30(4 4)41-14-6-11-26(41)15-29( 43)38-27(32(46)39-28)12-5 -13-37-33(35)36/h1-4,7-10 ,26-28,42H,5-6,11-21H2,(H 2,34,45)(H,38,43)(H,39,46 )(H4,35,36,37)/t26-,27+,2 8+/m0/s1; IXLKCOMKHVAIOV-UPRLRBBYSA-N |
[H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2 ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4cc ccc4CO)C(=O)N; NC(=N)NCCC[C@H]1NC(=O)C[C @@H]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4C SC[C@@H](NC1=O)C(N)=O; c1ccc2c(c1)CN(CC( =O)N3CCCC3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)C CCNC(=N)N)Cc4ccccc4CO; NC(=N)NCCC[CH]1NC (=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4cc ccc4CSC[CH](NC1=O)C(N)=O |
(10~{S},14~{R},17~{S})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide |
| 20648 | FE9 | 15 | C21 H23 Fe N6 O13 P S | InChI=1S/C19H22N6O10P.2CO .Fe.H2O.H2S/c1-7-9(3-4-26 )22-16(29)8(2)14(7)35-36( 31,32)33-5-10-12(27)13(28 )18(34-10)25-6-21-11-15(2 5)23-19(20)24-17(11)30;2* 1-2;;;/h6,10,12-13,18,27- 28H,3,5H2,1-2H3,(H5,20,22 ,23,24,29,30,31,32);;;;2* 1H2/q;2*+1;+5;;/p-3/t10-, 12-,13-,18-;;;;;/m1...../ s1; AEHOAZNVUAGELD-VPXBKTNXSA-K |
CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O) OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N =C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S; C C1=C(O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[ C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)C(=C5CC(=O )[Fe++](O)(S)(C#[O+])(C#[O+])N5C1=O)C; C C1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)O CC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C #[O+])(C#[O+])(O)S; CC1=C(O[P](O)(=O)OC[ CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=N c34)N)C(=C5CC(=O)[Fe++](O)(S)(C#[O+])(C# [O+])N5C1=O)C |
iron-guanylyl pyridinol cofactor |
| 20649 | FEA | 5 | Fe2 N3 O | InChI=1S/2Fe.N3.O/c;;1-3- 2;/q;+1;-1;; GTUZFHRZTDZJHZ-UHFFFAOYSA-N |
[Fe]O[Fe]N=[N+]=[N-]; [N-]=[N+]=N[Fe]O[F e] |
MONOAZIDO-MU-OXO-DIIRON |
| 20650 | FEB ZINC000058638640 |
28 | C27 H51 N5 O7 | InChI=1S/C27H51N5O7/c1-4- 5-6-7-8-9-10-11-20(34)15- 25(37)31-22(16-24(29)36)2 7(39)32-21(12-13-23(28)35 )26(38)30-19(17-33)14-18( 2)3/h18-22,33-34H,4-17H2, 1-3H3,(H2,28,35)(H2,29,36 )(H,30,38)(H,31,37)(H,32, 39)/t19-,20+,21-,22-/m0/s 1; QHOKNKNDLHIBEV-LRSLUSHPSA-N |
CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O) C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC( C)C; O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC (O)CCCCCCCCC)CC(=O)N)CCC(=O)N; CCCCCCCCC [CH](O)CC(=O)N[CH](CC(N)=O)C(=O)N[CH](CC C(N)=O)C(=O)N[CH](CO)CC(C)C; CCCCCCCCCC( CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N C(CC(C)C)CO)O; CCCCCCCCC[C@H](CC(=O)N[C@ @H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N [C@@H](CC(C)C)CO)O |
N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide; Fellutamide B, bound form |
| 20651 | FEC | 80 | C36 H36 Fe N4 O8 | InChI=1S/C36H38N4O8.Fe/c1 -17-21(5-9-33(41)42)29-14 -27-19(3)22(6-10-34(43)44 )30(39-27)15-28-20(4)24(8 -12-36(47)48)32(40-28)16- 31-23(7-11-35(45)46)18(2) 26(38-31)13-25(17)37-29;/ h13-16H,5-12H2,1-4H3,(H6, 37,38,39,40,41,42,43,44,4 5,46,47,48);/q;+4/p-2/b25 -13-,26-13-,27-14-,28-15- ,29-14-,30-15-,31-16-,32- 16-;; FEDZMOFKVKOYTI-RGGAHWMASA-L |
Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CC C(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC( =O)O)C)C(=C3C)CCC(=O)O; Cc1c(CCC(O)=O)c2 C=C3C(=C(C)C4=[N+]3[Fe]56N7C(=CC8=[N+]5C (=Cc1n26)C(=C8CCC(O)=O)C)C(=C(CCC(O)=O)C 7=C4)C)CCC(O)=O; Cc1c2cc3[n+]4c(cc5c(c(c 6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C( =C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O ; O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[ N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O )O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C; Cc1c( CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe@]56N7C (=CC8=[N+]5C(=Cc1n26)C(=C8CCC(O)=O)C)C(= C(CCC(O)=O)C7=C4)C)CCC(O)=O |
1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX; FE-COPROPORPHYRIN III |
| 20652 | FED | 1 | C27 H35 N9 O16 P2 | InChI=1S/C27H35N9O16P2/c1 -10-3-12-13(4-11(10)2)35( 24-27(44,34-12)25(42)33-2 6(43)32-24)5-14(37)18(39) 15(38)6-49-53(45,46)52-54 (47,48)50-7-16-19(40)20(4 1)23(51-16)36-9-31-17-21( 28)29-8-30-22(17)36/h3-4, 8-9,14-16,18-20,23,34,37- 41,44H,5-7H2,1-2H3,(H,45, 46)(H,47,48)(H2,28,29,30) (H,33,42,43)/t14-,15+,16+ ,18-,19+,20+,23+,27+/m0/s 1; WTOYVZYXGAOYIM-QUWWARRSSA-N |
Cc1cc2N[C]3(O)C(=O)NC(=O)N=C3N(C[CH](O)[ CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[C H]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56) c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3 (N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C( C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; O=C2NC(=O )N=C3N(c1cc(c(cc1NC23O)C)C)CC(O)C(O)C(O) COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45 )N)C(O)C6O; Cc1cc2N[C@]3(O)C(=O)NC(=O)N= C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O )O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H ]4O)n5cnc6c(N)ncnc56)c2cc1C |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aR)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
| 20653 | FEE CHEMBL231993 ZINC000049942744 |
3 | C39 H77 N O9 | InChI=1S/C39H77NO9/c1-3-5 -7-8-9-10-11-12-13-14-15- 16-17-18-19-20-21-22-23-2 4-26-28-34(43)40-31(35(44 )32(42)27-25-6-4-2)30-48- 39-38(47)37(46)36(45)33(2 9-41)49-39/h31-33,35-39,4 1-42,44-47H,3-30H2,1-2H3, (H,40,43)/t31-,32+,33+,35 -,36-,37-,38+,39-/m0/s1; MPKIDHIOYNMFES-CLTBVUQJSA-N |
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C @@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O) O)[C@@H]([C@@H](CCCCC)O)O; CCCCCCCCCCCCC CCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO )[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O )CCCCC; CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C OC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCC)O)O; CC CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O [CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH] (O)CCCCC; O=C(NC(COC1OC(C(O)C(O)C1O)CO)C (O)C(O)CCCCC)CCCCCCCCCCCCCCCCCCCCCCC |
N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide |
| 20654 | FEF DB07766 ZINC000044681972 |
6 | C20 H19 N3 O4 | InChI=1S/C20H19N3O4/c24-1 1-12(25)9-10-27-23-18-14- 6-2-4-8-16(14)21-19(18)17 -13-5-1-3-7-15(13)22-20(1 7)26/h1-8,12,21,24-25H,9- 11H2,(H,22,26)/b19-17-,23 -18+/t12-/m1/s1; RKUMZEVCWKZXFV-YOCZKUTFSA-N |
OC[C@H](O)CCO/N=C1/C(Nc2ccccc12)=C3/C(=O )Nc4ccccc34; O=C2C(\c1ccccc1N2)=C4\C(=N\ OCCC(O)CO)\c3ccccc3N4; c1ccc2c(c1)/C(=C/ 3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N 2; c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc 4N3)C(=O)N2; OC[CH](O)CCON=C1C(Nc2ccccc1 2)=C3C(=O)Nc4ccccc34 |
(2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME} |
| 20655 | FEG ZINC000058650286 |
17 | C19 H23 N6 O11 P | InChI=1S/C19H23N6O11P/c1- 6-8(3-10(26)27)22-16(30)7 (2)14(6)36-37(32,33)34-4- 9-12(28)13(29)18(35-9)25- 5-21-11-15(25)23-19(20)24 -17(11)31/h5,9,12-13,18,2 8-29H,3-4H2,1-2H3,(H,22,3 0)(H,26,27)(H,32,33)(H3,2 0,23,24,31)/t9-,12-,13-,1 8-/m1/s1; GTHOTKPHMGEHFD-ACDAHVMNSA-N |
Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H] (C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O) O; O=C(O)Cc4nc(O)c(c(OP(=O)(O)OCC3OC(n2c nc1c2N=C(N)NC1=O)C(O)C3O)c4C)C; Cc1c(O)n c(CC(O)=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH]( [CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N; Cc1 c(O)nc(CC(O)=O)c(C)c1O[P@](O)(=O)OC[C@H] 2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(= Nc34)N; Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O 2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O |
5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine |
| 20656 | FEH ZINC000000391853 |
20 | C8 H10 O2 | InChI=1S/C8H10O2/c9-6-8(1 0)7-4-2-1-3-5-7/h1-5,8-10 H,6H2/t8-/m0/s1; PWMWNFMRSKOCEY-QMMMGPOBSA-N |
c1ccc(cc1)C(CO)O; OC(c1ccccc1)CO; OC[C@H ](O)c1ccccc1; c1ccc(cc1)[C@H](CO)O; OC[C H](O)c1ccccc1 |
(1R)-1-phenylethane-1,2-diol |
| 20657 | FEI | 1 | C37 H46 N6 O10 S2 | InChI=1S/C37H46N6O10S2/c1 -7-24-23(6)36(46)43-31(24 )18-29-22(5)27(10-12-35(4 5)39-14-16-55(51,52)53)33 (41-29)19-32-26(9-11-34(4 4)38-13-15-54(48,49)50)21 (4)28(40-32)17-30-20(3)25 (8-2)37(47)42-30/h7-8,17- 18,40-41H,1-2,9-16,19H2,3 -6H3,(H,38,44)(H,39,45)(H ,42,47)(H,43,46)(H,48,49, 50)(H,51,52,53)/b30-17+,3 1-18-; IVYBPZIDQLNIHQ-NAJGKWLASA-N |
CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C 4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O) (=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; CC1 =C(C=C)/C(NC1=O)=C/c2[nH]c(Cc3[nH]c(\C=C /4NC(=O)C(=C/4C)C=C)c(C)c3CCC(=O)NCC[S]( O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; C c1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c( c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(= O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O; Cc 1c(c([nH]c1/C=C/2\C(=C(C(=O)N2)C=C)C)Cc3 c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC (=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O |
2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid; bilirubin ditaurate |
| 20658 | FEJ | 4 | C14 H21 N2 O8 P | InChI=1S/C14H21N2O8P/c1-7 (2)12(17)11(14(19)20)16-5 -10-9(6-24-25(21,22)23)4- 15-8(3)13(10)18/h4-5,7,11 -12,17-18H,6H2,1-3H3,(H,1 9,20)(H2,21,22,23)/b16-5+ /t11-,12-/m0/s1; VDGFQULJGQPRGZ-BGTSGQOBSA-N |
CC(C)[CH](O)[CH](N=Cc1c(O)c(C)ncc1CO[P]( O)(O)=O)C(O)=O; OP(O)(=O)OCc1cnc(c(c1[C@ H]=NC(C(C(C)C)O)C(O)=O)O)C; CC(C)[C@H](O )[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C( O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(C( C)C)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O )/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O |
(2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name); (2S,3S)-isopropylserine |
| 20659 | FEK | 1 | C7 H11 F O4 | InChI=1S/C7H11FO4/c8-5-4( 10)1-3(2-9)6(11)7(5)12/h1 ,4-7,9-12H,2H2/t4-,5+,6+, 7-/m1/s1; GCEFMEUYUSFIFI-JRTVQGFMSA-N |
C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO; C 1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O)[CH ](F)[CH](O)[CH]1O; OCC1=C[C@@H](O)[C@H]( F)[C@@H](O)[C@H]1O |
(1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
| 20660 | FEL | 6 | Fe H6 O3 | InChI=1S/Fe.3H2O/h;3*1H2/ q+3;;;; MSNWSDPPULHLDL-UHFFFAOYSA-N |
O.O.O.[Fe+3]; [OH2][Fe+3]([OH2])[OH2] | HYDRATED FE |
| 20661 | FEM | 2 | C16 H17 Fe N O2 | InChI=1S/C11H12NO2.C5H5.F e/c13-10-5-6-11(14)12(10) 8-7-9-3-1-2-4-9;1-2-4-5-3 -1;/h1-4H,5-8H2;1-5H;; OWBVXAMOKWDXAV-UHFFFAOYSA-N |
C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([C H]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12; O=C1CCC(=O)N1CCC2=C[C@@H]([Fe]C3C=CC=C3) C=C2; C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567 891([C@H]4[CH]5=[CH]63)[CH]2=[CH]7C8[CH] 9=[CH]12; O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3 C=CC=C3)C=C2 |
N-(2-FERROCENYLETHYL)MALEIMIDE |
| 20662 | FEN CHEMBL7301 DB05076 ZINC000003871023 |
1 | C26 H33 N O2 | InChI=1S/C26H33NO2/c1-19( 11-16-24-21(3)10-7-17-26( 24,4)5)8-6-9-20(2)18-25(2 9)27-22-12-14-23(28)15-13 -22/h6,8-9,11-16,18,28H,7 ,10,17H2,1-5H3,(H,27,29)/ b9-6+,16-11+,19-8+,20-18+; AKJHMTWEGVYYSE-FXILSDISSA-N |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2 ccc(cc2)O)C)C; CC1=C(\C=C\C(C)=C\C=C\C(C )=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1; CC1=C (C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C )(C)CCC1; O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C (\C=C\C2=C(CCCC2(C)C)C)C)C; CC1=C(C(CCC1 )(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2 )O)\C)\C |
N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE |
| 20663 | FEO | 163 | Fe2 O | InChI=1S/2Fe.O; NPMYUMBHPJGBFA-UHFFFAOYSA-N |
[Fe]O[Fe]; O([Fe])[Fe] | MU-OXO-DIIRON |
| 20664 | FEP CHEMBL1161222 DB04204 ZINC000002043451 |
1 | C18 H20 F4 O6 P2 | InChI=1S/C18H20F4O6P2/c19 -17(20,29(23,24)25)15-9-5 -13(6-10-15)3-1-2-4-14-7- 11-16(12-8-14)18(21,22)30 (26,27)28/h5-12H,1-4H2,(H 2,23,24,25)(H2,26,27,28); SRHSAABKYJDBDV-UHFFFAOYSA-N |
FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(= O)(O)O)P(=O)(O)O; O[P](O)(=O)C(F)(F)c1cc c(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1; c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O) C(F)(F)P(=O)(O)O |
[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID |
| 20665 | FEQ | 1 | C13 H13 F N2 O8 | InChI=1S/C13H13FN2O8/c14- 11-10(3-6(5-17)12(18)13(1 1)19)24-9-2-1-7(15(20)21) 4-8(9)16(22)23/h1-4,10-13 ,17-19H,5H2/t10-,11-,12-, 13+/m0/s1; WVAYSDIDYBKDLD-ZDEQEGDKSA-N |
c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C =C(C(C(C2F)O)O)CO; OCC1=C[C@H](Oc2ccc(cc 2[N+]([O-])=O)[N+]([O-])=O)[C@H](F)[C@@H ](O)[C@H]1O; OCC1=C[CH](Oc2ccc(cc2[N+]([ O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O ; c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[ C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO |
(1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol |
| 20666 | FER CHEMBL32749 DB07767 ZINC000000058258 |
47 | C10 H10 O4 | InChI=1S/C10H10O4/c1-14-9 -6-7(2-4-8(9)11)3-5-10(12 )13/h2-6,11H,1H3,(H,12,13 )/b5-3+; KSEBMYQBYZTDHS-HWKANZROSA-N |
COc1cc(ccc1O)\C=C\C(=O)O; COc1cc(ccc1O)C =CC(=O)O; COc1cc(\C=C\C(O)=O)ccc1O; O=C( O)\C=C\c1cc(OC)c(O)cc1; COc1cc(C=CC(O)=O )ccc1O |
3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID; FERULIC ACID |
| 20667 | FES | 3150 | Fe2 S2 | InChI=1S/2Fe.2S; NIXDOXVAJZFRNF-UHFFFAOYSA-N |
[Fe]1S[Fe]S1; S1[Fe]S[Fe]1 | FE2/S2 (INORGANIC) CLUSTER |
| 20668 | FEU | 1 | C14 H11 Cl F3 N5 O | InChI=1S/C14H11ClF3N5O/c1 -24-10-4-8(14(16,17)18)3- 2-7(10)6-23-12-9(5-20-23) 11(15)21-13(19)22-12/h2-5 H,6H2,1H3,(H2,19,21,22); CRNFGOLKBZYMGM-UHFFFAOYSA-N |
COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F) F; COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C( F)(F)F |
4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
| 20669 | FEV | 2 | C13 H17 N2 O7 P | InChI=1S/C13H17N2O7P/c1-3 -4-11(13(17)18)15-6-10-9( 7-22-23(19,20)21)5-14-8(2 )12(10)16/h4-6,16H,3,7H2, 1-2H3,(H,17,18)(H2,19,20, 21)/b11-4+,15-6+; GKBVRDDWDGNBFQ-VVUJNEFVSA-N |
OP(O)(=O)OCc1cnc(c(c1[C@H]=N\C(=C\CC)C(O )=O)O)C; CCC=C(C(=O)O)N=Cc1c(cnc(c1O)C)C OP(=O)(O)O; CCC=C(N=Cc1c(O)c(C)ncc1CO[P] (O)(O)=O)C(O)=O; CC/C=C(/N=Cc1c(O)c(C)nc c1CO[P](O)(O)=O)C(O)=O; CC/C=C(\C(=O)O)/ N=C/c1c(cnc(c1O)C)COP(=O)(O)O |
(2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid |
| 20670 | FEW CHEMBL4168305 |
2 | C31 H31 F3 N6 O | InChI=1S/C31H31F3N6O/c1-2 1(2)28-7-5-24(16-23(28)4- 6-27-18-36-29-19-35-8-9-4 0(27)29)30(41)37-26-15-22 (14-25(17-26)31(32,33)34) 20-39-12-10-38(3)11-13-39 /h5,7-9,14-19,21H,10-13,2 0H2,1-3H3,(H,37,41); IUGBGEUCXVKGQK-UHFFFAOYSA-N |
CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4c c(cc(c4)C(F)(F)F)CN5CCN(CC5)C; CC(C)c1cc c(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN( C)CC5)cc(c4)C(F)(F)F |
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide |
| 20671 | FEX ZINC000038377607 |
1 | C32 H38 N2 O3 | InChI=1S/C32H38N2O3/c1-33 (2)29-19-17-27(18-20-29)2 6-15-12-25(13-16-26)23-34 (32(36)28-9-5-4-6-10-28)3 0-11-7-8-24(22-30)14-21-3 1(35)37-3/h7-8,11-13,15-2 0,22,28H,4-6,9-10,14,21,2 3H2,1-3H3; GXGGBYHHVMOCJL-UHFFFAOYSA-N |
CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CC C(=O)OC)C(=O)C4CCCCC4; O=C(N(c1cccc(c1)C CC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CC CCC4; COC(=O)CCc1cccc(c1)N(Cc2ccc(cc2)c3 ccc(cc3)N(C)C)C(=O)C4CCCCC4 |
METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE; FEXARAMINE |
| 20672 | FEY | 3 | C30 H44 N4 O9 S | InChI=1S/C30H44N4O9S/c1-1 9(2)14-23(27(37)32-24(28( 38)44(40,41)42)16-21-8-11 -31-26(21)36)33-29(39)43- 22-17-30(18-22)9-12-34(13 -10-30)25(35)15-20-6-4-3- 5-7-20/h3-7,19,21-24,28,3 8H,8-18H2,1-2H3,(H,31,36) (H,32,37)(H,33,39)(H,40,4 1,42)/t21-,23-,24-,28+/m0 /s1; YKVWDIALSLITCN-YZIKFRCASA-N |
CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc 3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O) [C@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O) C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2cc ccc2)C1)C(O)S(=O)(=O)O; CC(C)CC(C(=O)NC( CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C 2)CCN(CC3)C(=O)Cc4ccccc4; CC(C)C[CH](NC( =O)OC1CC2(CCN(CC2)C(=O)Cc3ccccc3)C1)C(=O )N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC 1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2) CCN(CC3)C(=O)Cc4ccccc4 |
(1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 20673 | FEZ | 3 | C22 H30 O4 | InChI=1S/C22H30O4/c1-15(2 )19-11-13-22(4,25)12-5-6- 16(3)14-20(19)26-21(24)17 -7-9-18(23)10-8-17/h6-11, 13,15,19-20,23,25H,5,12,1 4H2,1-4H3/b13-11-,16-6-/t 19-,20+,22+/m1/s1; AVRRAMZPNSQDIW-TUNDKXTFSA-N |
CC1=CCCC(C=CC(C(C1)OC(=O)c2ccc(cc2)O)C(C )C)(C)O; CC(C)[CH]1C=C[C](C)(O)CCC=C(C)C [CH]1OC(=O)c2ccc(O)cc2; CC(C)[C@H]1\C=C/ [C@@](C)(O)CC\C=C(C)/C[C@@H]1OC(=O)c2ccc (O)cc2; C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC (=O)c2ccc(O)cc2; C/C/1=C/CC[C@](/C=C\[C@ @H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C) O |
(1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate; FEROLINE |
| 20674 | FF0 ZINC000098208882 |
0 | C19 H26 N2 O | InChI=1S/C19H26N2O/c20-18 (14-17-10-5-2-6-11-17)19( 22)15-21-13-7-12-16-8-3-1 -4-9-16/h1-6,8-11,18-19,2 1-22H,7,12-15,20H2/t18-,1 9+/m0/s1; NRTSLRUGZPIIHM-RBUKOAKNSA-N |
OC(C(N)Cc1ccccc1)CNCCCc2ccccc2; c1ccc(cc 1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O; N[C@@H ](Cc1ccccc1)[C@H](O)CNCCCc2ccccc2; N[CH] (Cc1ccccc1)[CH](O)CNCCCc2ccccc2; c1ccc(c c1)CCCNCC(C(Cc2ccccc2)N)O |
(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol |
| 20675 | FF1 ZINC000584905581 |
1 | C30 H29 F N6 O3 | InChI=1S/C30H29FN6O3/c1-1 6-5-4-6-17(2)22(16)11-12- 32-28(38)23-14-19(7-9-24( 23)31)27-26(18(3)34-30(40 )36-27)29(39)35-21-8-10-2 5-20(13-21)15-33-37-25/h4 -10,13-15,27H,11-12H2,1-3 H3,(H,32,38)(H,33,37)(H,3 5,39)(H2,34,36,40)/t27-/m 0/s1; QTCMCOOGSCOKGD-MHZLTWQESA-N |
CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O) NCCc3c(C)cccc3C)C(=O)Nc4ccc5[nH]ncc5c4; Cc1cccc(c1CCNC(=O)c2cc(ccc2F)C3C(=C(NC(= O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; Cc1cc cc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O )N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; CC1=C( [CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCCc3c(C )cccc3C)C(=O)Nc4ccc5[nH]ncc5c4 |
(4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide |
| 20676 | FF2 CHEMBL2403448 ZINC000096924290 |
8 | C9 H6 Cl N O2 S | InChI=1S/C9H6ClNO2S/c10-6 -2-1-3-7-5(6)4-8(14-7)9(1 2)11-13/h1-4,13H,(H,11,12 ); IHGVZTXLHUWVIA-UHFFFAOYSA-N |
c1cc2c(cc(s2)C(=O)NO)c(c1)Cl; ONC(=O)c1s c2cccc(Cl)c2c1 |
4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide |
| 20677 | FF3 CHEMBL258256 |
1 | C3 H4 F2 N4 O2 S2 | InChI=1S/C3H4F2N4O2S2/c4- 3(5,13(7,10)11)1-8-9-2(6) 12-1/h(H2,6,9)(H2,7,10,11 ); XGFIHSGMBUMCQS-UHFFFAOYSA-N |
O=S(=O)(N)C(F)(F)c1nnc(s1)N; Nc1sc(nn1)C (F)(F)[S](N)(=O)=O; c1(nnc(s1)N)C(F)(F)S (=O)(=O)N |
1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE |
| 20678 | FF4 | 1 | C10 H17 F N3 O12 P3 | InChI=1S/C10H17FN3O12P3/c 11-9(27(17,18)19)28(20,21 )26-29(22,23)24-4-6-5(15) 3-8(25-6)14-2-1-7(12)13-1 0(14)16/h1-2,5-6,8-9,15H, 3-4H2,(H,20,21)(H,22,23)( H2,12,13,16)(H2,17,18,19) /t5-,6+,8+,9-/m0/s1; CDDSHZIEMFLZDN-LWIVVEGESA-N |
NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C O[P](O)(=O)O[P](O)(=O)[C@@H](F)[P](O)(O) =O)O2; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)C OP(=O)(O)OP(O)(C(F)P(O)(O)=O)=O; NC1=NC( =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O) O[P](O)(=O)[CH](F)[P](O)(O)=O)O2; C1[C@@ H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)( O)OP(=O)([C@@H](F)P(=O)(O)O)O)O; C1C(C(O C1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P (=O)(O)O)O)O |
2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
| 20679 | FF5 | 1 | C19 H24 N4 O5 S | InChI=1S/C19H24N4O5S/c1-1 4(24)21-12-2-3-13-28-17-8 -4-15(5-9-17)22-19(25)23- 16-6-10-18(11-7-16)29(20, 26)27/h4-11H,2-3,12-13H2, 1H3,(H,21,24)(H2,20,26,27 )(H2,22,23,25); CDBPPECJGAINPA-UHFFFAOYSA-N |
CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N )(=O)=O)cc1; CC(=O)NCCCCOc1ccc(cc1)NC(=O )Nc2ccc(cc2)S(=O)(=O)N |
~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide |
| 20680 | FF7 | 1 | C10 H17 Cl N3 O12 P3 | InChI=1S/C10H17ClN3O12P3/ c11-9(27(17,18)19)28(20,2 1)26-29(22,23)24-4-6-5(15 )3-8(25-6)14-2-1-7(12)13- 10(14)16/h1-2,5-6,8-9,15H ,3-4H2,(H,20,21)(H,22,23) (H2,12,13,16)(H2,17,18,19 )/t5-,6+,8+,9+/m0/s1; DDLGFLMLTFUPNR-HIORRCEOSA-N |
NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P] (O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2 ; C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N) COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O ; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O )(O)OP(O)(C(P(O)(O)=O)Cl)=O; C1C(C(OC1N2 C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O )O)Cl)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H] (O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](C l)[P](O)(O)=O)O2 |
5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine |
| 20681 | FF8 CHEMBL3774784 ZINC000143640251 |
1 | C22 H26 F N O4 | InChI=1S/C22H26FNO4/c1-3- 4-5-6-12-24-22(27)28-18-9 -7-8-17(13-18)19-11-10-16 (14-20(19)23)15(2)21(25)2 6/h7-11,13-15H,3-6,12H2,1 -2H3,(H,24,27)(H,25,26)/t 15-/m0/s1; USQOVYLRWBOSQC-HNNXBMFYSA-N |
CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[CH](C )C(O)=O; CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc 2F)[C@H](C)C(O)=O; CCCCCCNC(=O)Oc1cccc(c 1)c2ccc(cc2F)[C@H](C)C(=O)O; CCCCCCNC(=O )Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O; c1(c( ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCC C)F |
(2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid |
| 20682 | FF9 | 0 | C10 H18 N2 O4 | InChI=1S/C10H18N2O4/c1-2- 8(10(15)16)12-6-4-3-5-7(1 1)9(13)14/h7H,2-6,11H2,1H 3,(H,13,14)(H,15,16)/b12- 8+/t7-/m0/s1; CWKRAMLJAYWANT-ZMMCGQQISA-N |
CCC(=NCCCCC(C(=O)O)N)C(=O)O; CC/C(=N\CCC C[C@@H](C(=O)O)N)/C(=O)O; CCC(=NCCCC[CH] (N)C(O)=O)C(O)=O; CCC(=NCCCC[C@H](N)C(O) =O)C(O)=O |
(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid |
| 20683 | FFA CHEMBL196228 DB07768 ZINC000004538008 |
6 | C19 H28 O2 | InChI=1S/C19H28O2/c1-18-9 -7-13(20)11-12(18)3-4-14- 15-5-6-17(21)19(15,2)10-8 -16(14)18/h11,14-17,21H,3 -10H2,1-2H3/t14-,15-,16-, 17+,18-,19-/m0/s1; MUMGGOZAMZWBJJ-KZYORJDKSA-N |
CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C; C[C ]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1 CC[CH]2O; O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3 )C)(C)CC4; C[C@]12CC[C@H]3[C@H]([C@@H]1C C[C@H]2O)CCC4=CC(=O)CC[C@]34C; C[C@]12CC [C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H] 1CC[C@H]2O |
(10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE; EPI-TESTOSTERONE |
| 20684 | FFB DB02610 |
3 | C14 H9 F5 N2 O3 S | InChI=1S/C14H9F5N2O3S/c15 -9-8(10(16)12(18)13(19)11 (9)17)5-21-14(22)6-1-3-7( 4-2-6)25(20,23)24/h1-4H,5 H2,(H,21,22)(H2,20,23,24); LRKSHOLYETXPGY-UHFFFAOYSA-N |
c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S( =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc 2c(F)c(F)c(F)c(F)c2F; c1cc(ccc1C(=O)NCc2 c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O |
N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE |
| 20685 | FFC | 0 | C12 H21 F O10 | InChI=1S/C12H21FO10/c13-5 -7(17)10(4(2-15)21-11(5)2 0)23-12-9(19)8(18)6(16)3( 1-14)22-12/h3-12,14-20H,1 -2H2/t3-,4-,5-,6-,7-,8+,9 -,10-,11+,12+/m1/s1; CHZBROHNUFSPPZ-FINXQLPQSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[ C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)C O)O)O)O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH ](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O ; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H]( F)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[ C@@H]1O; FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C (OC2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F )O)CO)O)O)O)O |
2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE |
| 20686 | FFD ZINC000058633183 |
0 | C11 H14 F O6 P | InChI=1S/C11H14FO6P/c12-8 -3-1-2-7(4-8)10-5-9(13)11 (18-10)6-17-19(14,15)16/h 1-4,9-11,13H,5-6H2,(H2,14 ,15,16)/t9-,10+,11+/m0/s1; IUYVDQFSAYHTRM-HBNTYKKESA-N |
c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP( =O)(O)O)O; c1cc(cc(c1)F)C2CC(C(O2)COP(=O )(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O) (O)=O)c2cccc(F)c2; O=P(OCC2OC(c1cccc(F)c 1)CC2O)(O)O; O[CH]1C[CH](O[CH]1CO[P](O)( O)=O)c2cccc(F)c2 |
(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol |
| 20687 | FFE | 0 | Fe3 H11 O13 | InChI=1S/3Fe.11H2O.2O/h;; ;11*1H2;;/q+2;+4;+5;;;;;; ;;;;;;;/p-11; WDCOXZGBZIBJBW-UHFFFAOYSA-C |
O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)( O)O; O[Fe@](O)(O[Fe](O)(O)(O)O)O[Fe](O)( O)(O)(O)O |
[bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron |
| 20688 | FFF DB02808 ZINC000002047050 |
1 | C15 H25 F3 O7 P2 | InChI=1S/C15H25F3O7P2/c1- 12(2)6-4-7-13(3)8-5-9-14( 15(16,17)18)10-11-24-27(2 2,23)25-26(19,20)21/h6,8, 10H,4-5,7,9,11H2,1-3H3,(H ,22,23)(H2,19,20,21)/b13- 8+,14-10-; PXLMLAFPAPGGKK-GVCYOOEQSA-N |
CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O) (O)=O)C(F)(F)F; CC(C)=CCC/C(C)=C/CC/C(=C /CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F; CC (=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O )O)/C(F)(F)F)/C)C; CC(=CCCC(=CCCC(=CCOP( =O)(O)OP(=O)(O)O)C(F)(F)F)C)C; FC(F)(F)/ C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C =C(/C)C |
TRIFLUOROFURNESYL DIPHOSPHATE |
| 20689 | FFG CHEMBL577677 ZINC000049709720 |
1 | C32 H28 F3 N7 O3 | InChI=1S/C32H28F3N7O3/c33 -32(34,35)28-26-13-15-41( 30(44)27(26)42(39-28)23-6 -3-5-20(16-23)29-36-31(45 )38-37-29)22-10-8-19(9-11 -22)25-7-2-1-4-21(25)17-4 0-14-12-24(43)18-40/h1-11 ,16,24,43H,12-15,17-18H2, (H2,36,37,38,45)/t24-/m1/ s1; YBWAYLVOTDFQQI-XMMPIXPASA-N |
c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3 )N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC( =O)N7)C4=O; O[C@@H]1CCN(C1)Cc2ccccc2c3cc c(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)N7) c5C4=O)C(F)(F)F; O[CH]1CCN(C1)Cc2ccccc2c 3ccc(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O) N7)c5C4=O)C(F)(F)F; c1ccc(c(c1)CN2CCC(C2 )O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc c(c6)C7=NNC(=O)N7)C4=O; O=C1NC(=NN1)c2cc (ccc2)n7nc(c6c7C(=O)N(c5ccc(c3ccccc3CN4C CC(O)C4)cc5)CC6)C(F)(F)F |
(R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one; 6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one |
| 20690 | FFH | 2 | C29 H45 N5 O10 S | InChI=1S/C29H45N5O10S/c30 -23-43-22-21-42-20-19-41- 18-17-40-16-15-39-14-11-2 8(35)32-12-1-2-13-44-26-7 -3-24(4-8-26)33-29(36)34- 25-5-9-27(10-6-25)45(31,3 7)38/h3-10H,1-2,11-23,30H 2,(H,32,35)(H2,31,37,38)( H2,33,34,36); UDWQBPJNUHSQMR-UHFFFAOYSA-N |
c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCC CCNC(=O)CCOCCOCCOCCOCCOCN; NCOCCOCCOCCOC COCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S ](N)(=O)=O)cc1 |
3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide |
| 20691 | FFI | 4 | C43 H78 N7 O17 P3 S | InChI=1S/C43H78N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-18-19-20-21- 22-23-34(52)71-27-26-45-3 3(51)24-25-46-41(55)38(54 )43(2,3)29-64-70(61,62)67 -69(59,60)63-28-32-37(66- 68(56,57)58)36(53)42(65-3 2)50-31-49-35-39(44)47-30 -48-40(35)50/h30-32,36-38 ,42,53-54H,4-29H2,1-3H3,( H,45,51)(H,46,55)(H,59,60 )(H,61,62)(H2,44,47,48)(H 2,56,57,58)/t32-,36-,37-, 38+,42-/m1/s1; NDDZLVOCGALPLR-GNSUAQHMSA-N |
CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC( =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCC CCCCCCCCCCCCCCCCC(=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)n 2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCCCCCC( =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; CCCCC CCCCCCCCCCCCCCCCC(=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 |
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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] docosanethioate; Behenoyl-CoA; Docosanoyl-CoA |
| 20692 | FFJ | 1 | C10 H16 F2 N3 O12 P3 | InChI=1S/C10H16F2N3O12P3/ c11-10(12,28(18,19)20)29( 21,22)27-30(23,24)25-4-6- 5(16)3-8(26-6)15-2-1-7(13 )14-9(15)17/h1-2,5-6,8,16 H,3-4H2,(H,21,22)(H,23,24 )(H2,13,14,17)(H2,18,19,2 0)/t5-,6+,8+/m0/s1; FBLKJJQPZBDPCI-SHYZEUOFSA-N |
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O )(C(F)(F)P(=O)(O)O)O)O; C=1(N)C=CN(C(N=1 )=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(= O)(O)O)F)=O; C1[C@@H]([C@H](O[C@H]1N2C=C C(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O) (O)O)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H]( O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[ P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[CH]2C[C H](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F) [P](O)(O)=O)O2 |
2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
| 20693 | FFK | 1 | C28 H49 N O12 P2 | InChI=1S/C28H49NO12P2/c1- 19(2)10-7-11-20(3)12-8-13 -21(4)14-9-15-22(5)16-17- 38-42(34,35)41-43(36,37)4 0-28-25(29-23(6)31)27(33) 26(32)24(18-30)39-28/h10, 12,14,16,24-28,30,32-33H, 7-9,11,13,15,17-18H2,1-6H 3,(H,29,31)(H,34,35)(H,36 ,37)/b20-12-,21-14-,22-16 -/t24-,25-,26-,27-,28-/m1 /s1; MCKZOQNLWLVDRX-ADLZVGHSSA-N |
CC(C)=CCCC(\C)=C/CC\C(C)=C/CCC(\C)=C/CO[ P](O)(=O)O[P](O)(=O)O[C@H]1O[C@H](CO)[C@ @H](O)[C@H](O)[C@H]1NC(C)=O; CC(=CCC/C(= C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C @@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O )NC(=O)C)/C)/C)/C)C; CC(C)=CCCC(C)=CCCC( C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH] 1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O; CC (=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O) OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C |
|
| 20694 | FFL | 0 | C6 H11 F2 N O2 | InChI=1S/C6H11F2NO2/c7-2- 4(3-8)1-5(9)6(10)11/h4-5H ,1-3,9H2,(H,10,11)/t5-/m0 /s1; UFUPPGKUXMRROI-YFKPBYRVSA-N |
C([C@@H](C(=O)O)N)C(CF)CF; N[C@@H](CC(CF )CF)C(O)=O; N[CH](CC(CF)CF)C(O)=O; C(C(C F)CF)C(C(=O)O)N |
5,5'-difluoroleucines; (2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid |
| 20695 | FFM ZINC000058633186 |
0 | C6 H14 N O6 P S | InChI=1S/C6H14NO6PS/c1-3( 6(10)14(11,12)13)15-2-4(7 )5(8)9/h3-4,6,10H,2,7H2,1 H3,(H,8,9)(H2,11,12,13)/t 3-,4+,6-/m1/s1; VNLJGMRDCGQBGN-ALEPSDHESA-N |
C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O )N; C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)( O)=O; CC(C(O)P(=O)(O)O)SCC(C(=O)O)N; C[C @@H](SC[C@H](N)C(O)=O)[C@H](O)[P](O)(O)= O |
S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine |
| 20696 | FFN ZINC000020345596 |
6 | C13 H9 F N2 O S | InChI=1S/C13H9FN2OS/c1-7- 15-12(17)11-10(6-18-13(11 )16-7)8-2-4-9(14)5-3-8/h2 -6H,1H3,(H,15,16,17); PEYKEBUFADUZJK-UHFFFAOYSA-N |
CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1; CC1=Nc 2c(c(cs2)c3ccc(cc3)F)C(=O)N1 |
5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one |
| 20697 | FFO CHEMBL1908841 DB11596 ZINC000009212427 |
86 | C20 H23 N7 O7 | InChI=1S/C20H23N7O7/c21-2 0-25-16-15(18(32)26-20)27 (9-28)12(8-23-16)7-22-11- 3-1-10(2-4-11)17(31)24-13 (19(33)34)5-6-14(29)30/h1 -4,9,12-13,22H,5-8H2,(H,2 4,31)(H,29,30)(H,33,34)(H 4,21,23,25,26,32)/t12-,13 -/m0/s1; VVIAGPKUTFNRDU-STQMWFEESA-N |
NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[ CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1; c1cc(cc c1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C =O)C(=O)NC(=N3)N; O=C(O)C(NC(=O)c1ccc(cc 1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O )O; NC1=NC2=C(N(C=O)[C@@H](CNc3ccc(cc3)C (=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1 |
N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid; [6S]-5-FORMYL-TETRAHYDROFOLATE; 6S-FOLINIC ACID |
| 20698 | FFP CHEMBL1232721 ZINC000000388530 |
3 | C6 H4 F2 O | InChI=1S/C6H4F2O/c7-4-2-1 -3-5(8)6(4)9/h1-3,9H; CKKOVFGIBXCEIJ-UHFFFAOYSA-N |
Fc1cccc(F)c1O; c1cc(c(c(c1)F)O)F; Oc1c(F )cccc1F |
2,6-DIFLUOROPHENOL |
| 20699 | FFQ | 18 | C3 H9 O4 P | InChI=1S/C3H9O4P/c1-2-3(4 )8(5,6)7/h3-4H,2H2,1H3,(H 2,5,6,7)/t3-/m1/s1; MVIJUJBSAAUHEM-GSVOUGTGSA-N |
CCC(O)P(=O)(O)O; O=P(O)(O)C(O)CC; CC[C@H ](O)P(=O)(O)O; CC[CH](O)[P](O)(O)=O; CC[ C@H](O)[P](O)(O)=O |
[(1R)-1-hydroxypropyl]phosphonic acid; Fosfomycin, bound form |
| 20700 | FFR | 1 | C30 H27 F N6 O4 | InChI=1S/C30H27FN6O4/c31- 23-14-19(15-32)4-5-21(23) 18-41-28-3-1-2-24(34-28)2 0-8-11-36(12-9-20)17-27-3 3-25-6-7-26(30(38)39)35-2 9(25)37(27)16-22-10-13-40 -22/h1-8,14,22H,9-13,16-1 8H2,(H,38,39)/t22-/m0/s1; QJTZURDDCIYTGM-QFIPXVFZSA-N |
c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)C c4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O; c1cc( nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5 ccc(nc5n4CC6CCO6)C(=O)O; OC(=O)c1ccc2nc( CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n (C[C@@H]6CCO6)c2n1; OC(=O)c1ccc2nc(CN3CC C(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH ]6CCO6)c2n1 |
2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid |
| 20701 | FFS CHEMBL1198227 ZINC000001105529 |
1 | C19 H15 Cl N4 O | InChI=1S/C19H15ClN4O/c20- 13-5-3-6-14(11-13)22-19-2 3-17-9-2-1-8-16(17)18(24- 19)21-12-15-7-4-10-25-15/ h1-11H,12H2,(H2,21,22,23, 24); KLRNKMZSARWWTH-UHFFFAOYSA-N |
Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1; n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl; c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccc o4 |
N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine |
| 20702 | FFT | 2 | C15 H27 O4 P | InChI=1S/C15H27O4P/c1-13( 2)7-5-8-14(3)9-6-10-15(4) 11-12-19-20(16,17)18/h7,9 ,11H,5-6,8,10,12H2,1-4H3, (H2,16,17,18)/b14-9-,15-1 1-; ALEWCKXBHSDCCT-FBXUGWQNSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O; CC (=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C; CC(=CC C/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C; O=P( OC\C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O; CC (C)=CCCC(\C)=C/CCC(\C)=C/CO[P](O)(O)=O |
(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate; farnesyl monophosphate |
| 20703 | FFU CHEMBL3086112 ZINC000103285435 |
1 | C17 H20 F2 N2 O | InChI=1S/C17H20F2N2O/c1-1 7(2)5-3-11(4-6-17)20-16(2 2)15-9-12-13(19)7-10(18)8 -14(12)21-15/h7-9,11,21H, 3-6H2,1-2H3,(H,20,22); UATYSFRIVIHVKL-UHFFFAOYSA-N |
CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F )C; CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc( F)c3c2 |
N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide |
| 20704 | FFV CHEMBL4245081 |
1 | C19 H18 Cl F N4 | InChI=1S/C19H18ClFN4/c1-1 1(12-6-7-12)22-18-14-4-2- 3-5-17(14)24-19(25-18)23- 13-8-9-16(21)15(20)10-13/ h2-5,8-12H,6-7H2,1H3,(H2, 22,23,24,25)/t11-/m1/s1; LSMKBOZJAWCJNL-LLVKDONJSA-N |
C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c 4)Cl)F; CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc (c(c4)Cl)F; C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2 )nc3ccccc13)C4CC4; C[C@@H](Nc1nc(Nc2ccc( F)c(Cl)c2)nc3ccccc13)C4CC4; n1c(c3c(nc1N c2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4 |
N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine |
| 20705 | FFW CHEMBL4434843 |
2 | C20 H16 Cl N3 O4 | InChI=1S/C20H16ClN3O4/c1- 11-15(10-17-19(25)23-28-2 2-17)16-9-14(27-2)7-8-18( 16)24(11)20(26)12-3-5-13( 21)6-4-12/h3-9H,10H2,1-2H 3,(H,23,25); VJZLOJXUWVYZRW-UHFFFAOYSA-N |
COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4 ccc(Cl)cc4; Cc1c(c2cc(ccc2n1C(=O)c3ccc(c c3)Cl)OC)CC4=NONC4=O |
4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one |
| 20706 | FFX | 1 | C5 H8 F2 O4 | InChI=1S/C5H8F2O4/c6-4-2( 9)1(8)3(10)5(7)11-4/h1-5, 8-10H/t1-,2-,3+,4-,5+; QCYATGUEQPTSRF-IYJRPRHRSA-N |
C1(C(C(OC(C1O)F)F)O)O; O[CH]1[CH](O)[CH] (F)O[CH](F)[CH]1O; C1([C@H]([C@@H](O[C@@ H]([C@H]1O)F)F)O)O; O[C@@H]1[C@@H](O)[C@ H](F)O[C@H](F)[C@H]1O; FC1OC(F)C(O)C(O)C 1O |
(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL |
| 20707 | FFY CHEMBL4243567 |
1 | C24 H25 Cl F N5 | InChI=1S/C24H25ClFN5/c1-1 4(15-5-6-15)28-23-19-4-2- 3-18(16-9-11-27-12-10-16) 22(19)30-24(31-23)29-17-7 -8-21(26)20(25)13-17/h2-4 ,7-9,13-15,27H,5-6,10-12H 2,1H3,(H2,28,29,30,31)/t1 4-/m1/s1; YQFXBUIYNRLMAO-CQSZACIVSA-N |
n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CC NCC4)NC(C5CC5)C; CC(C1CC1)Nc2c3cccc(c3nc (n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[C@@H]( Nc1nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CC NCC4)C5CC5; C[C@H](C1CC1)Nc2c3cccc(c3nc( n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[CH](Nc1 nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CCNCC 4)C5CC5 |
N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine |
| 20708 | FFZ CHEMBL4436770 |
5 | C28 H29 N3 O3 | InChI=1S/C28H29N3O3/c1-19 (2)31-28(33)24-12-8-7-11- 23(24)27(30-31)22-13-15-2 5(34-3)21(17-22)14-16-26( 32)29-18-20-9-5-4-6-10-20 /h4-10,13,15,17,19,23-24H ,11-12,18H2,1-3H3,(H,29,3 2)/t23-,24+/m0/s1; CNKULZYKNGMIIR-BJKOFHAPSA-N |
COc1ccc(cc1C#CC(=O)NCc2ccccc2)C3=NN(C(C) C)C(=O)[C@@H]4CC=CC[C@H]34; CC(C)N1C(=O) [C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC (=O)NCc4ccccc4)OC; CC(C)N1C(=O)C2CC=CCC2 C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC; COc3ccc(C=1C2C(C(N(C(C)C)N=1)=O)CC=CC2)c c3C#CC(=O)NCc4ccccc4; COc1ccc(cc1C#CC(=O )NCc2ccccc2)C3=NN(C(C)C)C(=O)[CH]4CC=CC[ CH]34 |
3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE |
| 20709 | FG0 CHEMBL2098175 ZINC000084687678 |
1 | C20 H23 N O3 S | InChI=1S/C20H23NO3S/c1-2- 17-18(23-11-10-22-17)13-1 5(1)14-21-7-5-20(6-8-21)1 6-4-12-25-19(16)3-9-24-20 /h1-2,4,12-13H,3,5-11,14H 2; NCRPMBWORFWNGT-UHFFFAOYSA-N |
c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2; C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1 |
1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] |
| 20710 | FG1 DB02784 ZINC000012502600 |
1 | C18 H23 Br N4 O7 | InChI=1S/C18H23BrN4O7/c19 -9-15(26)20-8-6-14(25)23- 13(10-24)16(27)21-7-5-11- 1-3-12(4-2-11)22-17(28)18 (29)30/h1-4,13,24H,5-10H2 ,(H,20,26)(H,21,27)(H,22, 28)(H,23,25)(H,29,30)/t13 -/m0/s1; IYAWTDCWUJJPHZ-ZDUSSCGKSA-N |
c1cc(ccc1CCNC(=O)C(CO)NC(=O)CCNC(=O)CBr) NC(=O)C(=O)O; O=C(Nc1ccc(cc1)CCNC(=O)C(N C(=O)CCNC(=O)CBr)CO)C(=O)O; OC[C@H](NC(= O)CCNC(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O )cc1; c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CC NC(=O)CBr)NC(=O)C(=O)O; OC[CH](NC(=O)CCN C(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O)cc1 |
N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID |
| 20711 | FG2 CHEMBL1232723 ZINC000058631901 |
3 | C16 H15 N3 O4 S | InChI=1S/C16H15N3O4S/c1-1 0-3-6-15(17-9-10)24(21,22 )19-16(20)14-8-11-7-12(23 -2)4-5-13(11)18-14/h3-9,1 8H,1-2H3,(H,19,20); ZKUFSBNJBIOKLO-UHFFFAOYSA-N |
Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[n H]2)OC; O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2c c(OC)ccc2n3; COc1ccc2[nH]c(cc2c1)C(=O)N[ S](=O)(=O)c3ccc(C)cn3 |
5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide |
| 20712 | FG3 CHEMBL1232724 ZINC000058638494 |
3 | C18 H17 N3 O6 S | InChI=1S/C18H17N3O6S/c1-1 1-3-6-16(19-9-11)28(25,26 )20-18(24)15-8-12-7-13(27 -2)4-5-14(12)21(15)10-17( 22)23/h3-9H,10H2,1-2H3,(H ,20,24)(H,22,23); MOZJRLFDFCKFFT-UHFFFAOYSA-N |
Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2 CC(=O)O)OC; COc1ccc2n(CC(O)=O)c(cc2c1)C( =O)N[S](=O)(=O)c3ccc(C)cn3; O=S(=O)(c1nc c(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O |
(5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
| 20713 | FG4 ZINC000058633681 |
2 | C21 H17 N O6 | InChI=1S/C21H17NO6/c1-26- 15-6-7-17-14(9-15)10-18(2 2(17)11-20(23)24)21(25)27 -12-16-8-13-4-2-3-5-19(13 )28-16/h2-10H,11-12H2,1H3 ,(H,23,24); CKGFVKXFHXZPEW-UHFFFAOYSA-N |
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4cc ccc4o3; COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)O Cc3oc4ccccc4c3; O=C(O)Cn1c4ccc(OC)cc4cc1 C(=O)OCc3oc2ccccc2c3 |
{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid |
| 20714 | FG5 ZINC000058633685 |
1 | C20 H18 N2 O6 S | InChI=1S/C20H18N2O6S/c1-2 7-16-6-7-17-14(9-16)8-15( 22(17)12-19(23)24)11-21-2 9(25,26)20-10-13-4-2-3-5- 18(13)28-20/h2-10,21H,11- 12H2,1H3,(H,23,24); WZHKFPDZEVEAJG-UHFFFAOYSA-N |
COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4cc ccc4c3)cc2c1; COc1ccc2c(c1)cc(n2CC(=O)O) CNS(=O)(=O)c3cc4ccccc4o3; O=C(O)Cn1c4ccc (OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3 |
(2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid |
| 20715 | FG6 CHEMBL1232727 ZINC000058633687 |
3 | C20 H16 N2 O7 S | InChI=1S/C20H16N2O7S/c1-2 8-14-6-7-15-13(8-14)9-16( 22(15)11-18(23)24)20(25)2 1-30(26,27)19-10-12-4-2-3 -5-17(12)29-19/h2-10H,11H 2,1H3,(H,21,25)(H,23,24); XOSVMFKSAWOSMH-UHFFFAOYSA-N |
COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O )c3cc4ccccc4o3; O=C(O)Cn1c4ccc(OC)cc4cc1 C(=O)NS(=O)(=O)c3oc2ccccc2c3; COc1ccc2n( CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4cc ccc4c3 |
{2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid |
| 20716 | FG7 CHEMBL1702228 DB11552 ZINC000000402652 |
4 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-2-12 -9(11)7-4-3-5-8(10)6-7/h3 -6H,2,10H2,1H3; ZMCBYSBVJIMENC-UHFFFAOYSA-N |
CCOC(=O)c1cccc(c1)N; CCOC(=O)c1cccc(N)c1 ; O=C(OCC)c1cc(N)ccc1 |
ethyl 3-aminobenzoate |
| 20717 | FG8 CHEMBL4872913 |
4 | C15 H12 Cl N O2 S | InChI=1S/C15H12ClNO2S/c16 -12-6-8-13(9-7-12)20-14-4 -2-1-3-11(14)5-10-15(18)1 7-19/h1-10,19H,(H,17,18)/ b10-5+; LOPNSVKBMZZEHH-BJMVGYQFSA-N |
c1ccc(c(c1)C=CC(=O)NO)Sc2ccc(cc2)Cl; c1c cc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl; ONC( =O)\C=C\c1ccccc1Sc2ccc(Cl)cc2; ONC(=O)C= Cc1ccccc1Sc2ccc(Cl)cc2 |
(~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide |
| 20718 | FG9 CHEMBL4748345 |
1 | C18 H22 N6 O | InChI=1S/C18H22N6O/c19-16 -15-2-4-20-11-13(15)10-14 -12-22-18(23-17(14)16)21- 3-1-5-24-6-8-25-9-7-24/h2 ,4,10-12H,1,3,5-9,19H2,(H ,21,22,23); LRBZZLHCFITOFC-UHFFFAOYSA-N |
c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N; Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13 |
~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine |
| 20719 | FGA CHEMBL76232 DB02517 ZINC000000895124 |
2 | C5 H9 N O4 | InChI=1S/C5H9NO4/c6-3(5(9 )10)1-2-4(7)8/h3H,1-2,6H2 ,(H,7,8)(H,9,10)/t3-/m1/s 1; WHUUTDBJXJRKMK-GSVOUGTGSA-N |
C(CC(=O)O)[C@H](C(=O)O)N; O=C(O)C(N)CCC( =O)O; C(CC(=O)O)C(C(=O)O)N; N[C@H](CCC(O )=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O |
GAMMA-D-GLUTAMIC ACID; D-GLUTAMIC ACID |
| 20720 | FGD ZINC000028258717 |
14 | C21 H21 N5 O6 | InChI=1S/C21H21N5O6/c22-2 1-25-15-6-1-11(9-14(15)19 (30)26-21)10-23-13-4-2-12 (3-5-13)18(29)24-16(20(31 )32)7-8-17(27)28/h1-6,9,1 6,23H,7-8,10H2,(H,24,29)( H,27,28)(H,31,32)(H3,22,2 5,26,30)/t16-/m1/s1; UQFCLENKCDVITL-MRXNPFEDSA-N |
c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC (C(=O)O)CCC(=O)O)=O; c1cc(ccc1C(=O)N[C@H ](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C( N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[ C@H](CCC(O)=O)C(O)=O)ccc2N1; c1cc(ccc1C( =O)NC(CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O) N=C(N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(= O)N[CH](CCC(O)=O)C(O)=O)ccc2N1 |
N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid |
| 20721 | FGE | 1 | C14 H12 N4 O4 S2 | InChI=1S/C14H12N4O4S2/c1- 6-12(23-14(17-6)18-7(2)19 )8-3-9-5-16-13(20)11(9)10 (4-8)24(15,21)22/h3-5H,1- 2H3,(H2,15,21,22)(H,17,18 ,19); LTKQWKJDTSYBED-UHFFFAOYSA-N |
Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O) N)C(=O)N=C3; CC(=O)Nc1sc(c(C)n1)c2cc3C=N C(=O)c3c(c2)[S](N)(=O)=O |
~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide |
| 20722 | FGF CHEMBL3908979 DB16845 ZINC000644165879 |
3 | C25 H30 N8 O4 | InChI=1S/C25H30N8O4/c1-31 -7-8-32(23(35)15-31)14-18 -10-17-4-3-6-33(24(17)29- 21(18)16-34)25(36)30-22-1 1-20(27-5-9-37-2)19(12-26 )13-28-22/h10-11,13,16H,3 -9,14-15H2,1-2H3,(H2,27,2 8,30,36); BHKDKKZMPODMIQ-UHFFFAOYSA-N |
COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O )c(C=O)nc23)ncc1C#N; CN1CCN(C(=O)C1)Cc2c c3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)N CCOC |
N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide; Roblitinib; FGF-401 |
| 20723 | FGG ZINC000058632132 |
3 | C20 H35 F O7 P2 | InChI=1S/C20H35FO7P2/c1-1 6(2)9-6-10-17(3)11-7-12-1 8(4)13-8-14-19(5)20(21)15 -27-30(25,26)28-29(22,23) 24/h9,11,13H,6-8,10,12,14 -15H2,1-5H3,(H,25,26)(H2, 22,23,24)/b17-11+,18-13+, 20-19-; NZHGLLPGXYKTDW-HAQLZSGTSA-N |
CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O )(O)OP(=O)(O)O)\F)/C)/C)/C)C; CC(C)=CCC/ C(C)=C/CC/C(C)=C/CC\C(C)=C(F)\CO[P](O)(= O)O[P](O)(O)=O; O=P(O)(O)OP(=O)(OCC(\F)= C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P]( O)(=O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=CCCC (=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C |
(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate; 2-fluoro-geranylgeranyl diphosphate |
| 20724 | FGH CHEMBL3235350 ZINC000098208883 |
1 | C27 H35 N3 O2 | InChI=1S/C27H35N3O2/c1-16 (2)10-18-12-19(11-17-6-8- 28-26(32)24(17)18)30-21-1 3-27(3,4)14-23(31)25(21)2 0-7-9-29(5)15-22(20)30/h1 1-12,16H,6-10,13-15H2,1-5 H3,(H,28,32); JEHITPSPEWPKHP-UHFFFAOYSA-N |
O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C 3)(C)C)cc(c45)CC(C)C; CC(C)Cc1cc(cc2CCNC (=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35 ; CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN (CC5)C)C(=O)CC(C4)(C)C |
2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one |
| 20725 | FGJ ZINC000005820130 |
7 | C15 H28 O5 | InChI=1S/C15H28O5/c1-3-5- 7-9-14(17)19-12-13(11-16) 20-15(18)10-8-6-4-2/h13,1 6H,3-12H2,1-2H3/t13-/m1/s 1; DRUFTGMQJWWIOL-CYBMUJFWSA-N |
C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O; CCCCCC(= O)OC[CH](CO)OC(=O)CCCCC; CCCCCC(=O)OCC(C O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H](CO)OC( =O)CCCCC |
(2R)-3-hydroxypropane-1,2-diyl dihexanoate |
| 20726 | FGL CHEMBL1232731 DB02289 ZINC000000895421 |
0 | C3 H5 N O4 | InChI=1S/C3H5NO4/c4-1(2(5 )6)3(7)8/h1H,4H2,(H,5,6)( H,7,8); JINBYESILADKFW-UHFFFAOYSA-N |
C(C(=O)O)(C(=O)O)N; NC(C(O)=O)C(O)=O; O= C(O)C(N)C(=O)O |
2-AMINOPROPANEDIOIC ACID |
| 20727 | FGM ZINC000098208884 |
1 | C19 H38 O3 | InChI=1S/C19H38O3/c1-3-5- 7-9-10-11-12-14-16-18(20) 17(19(21)22)15-13-8-6-4-2 /h17-18,20H,3-16H2,1-2H3, (H,21,22)/t17-,18-/m1/s1; OYDUHHOWTJLUGL-QZTJIDSGSA-N |
CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O; CCCCCCCCCCC(C(CCCCCC)C(=O)O)O; CCCCCCCC CC[C@H]([C@@H](CCCCCC)C(=O)O)O; CCCCCCCC CC[CH](O)[CH](CCCCCC)C(O)=O; O=C(O)C(CCC CCC)C(O)CCCCCCCCCC |
(2R,3R)-2-hexyl-3-hydroxytridecanoic acid |
| 20728 | FGN | 4 | C16 H13 Cl2 N O3 | InChI=1S/C16H13Cl2NO3/c17 -13-5-3-6-14(18)12(13)10- 22-15-7-2-1-4-11(15)8-9-1 6(20)19-21/h1-9,21H,10H2, (H,19,20)/b9-8+; YTQRIEFQVODUBZ-CMDGGOBGSA-N |
c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl; ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl; ON C(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl; c1ccc( c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl |
(~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide |
| 20729 | FGO | 34 | C22 H28 N7 O13 P | InChI=1S/C22H28N7O13P/c23 -20-26-16-13(17(33)27-20) 24-7-29(16)18-9-4-22(35,3 6)3-8(9)11(41-18)6-39-43( 37,38)42-15-10(5-30)40-19 (14(15)32)28-2-1-12(31)25 -21(28)34/h1-2,7-11,14-15 ,18-19,30,32,35-36H,3-6H2 ,(H,37,38)(H,25,31,34)(H3 ,23,26,27,33)/t8-,9+,10+, 11+,14+,15+,18+,19+/m0/s1; UMWHQRFZYGKEGD-MIHJLMQYSA-N |
c1nc2c(n1C3C4CC(CC4C(O3)COP(=O)(O)OC5C(O C(C5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O) N; c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H ](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@ H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P]( O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC( =O)NC5=O)[CH]6CC(O)(O)C[CH]36; NC1=Nc2n( cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[ C@H]4[C@@H](O)[C@@H](O[C@@H]4CO)N5C=CC(= O)NC5=O)[C@H]6CC(O)(O)C[C@@H]36 |
[(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate |
| 20730 | FGP DB03821 ZINC000012503936 |
0 | C3 H8 N O7 P | InChI=1S/C3H8NO7P/c4-1(2( 5)6)3(7)11-12(8,9)10/h1,3 ,7H,4H2,(H,5,6)(H2,8,9,10 )/t1-,3+/m1/s1; JVLKWZAWYDOHCD-GPKNORDASA-N |
O=P(OC(O)C(N)C(=O)O)(O)O; C(C(O)OP(=O)(O )O)(C(=O)O)N; N[C@@H]([C@@H](O)O[P](O)(O )=O)C(O)=O; [C@H]([C@@H](O)OP(=O)(O)O)(C (=O)O)N; N[CH]([CH](O)O[P](O)(O)=O)C(O)= O |
2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PROPIONIC ACID |
| 20731 | FGQ CHEMBL4177089 |
1 | C16 H12 F N O3 S | InChI=1S/C16H12FNO3S/c1-1 0-4-6-11(7-5-10)22(20,21) 14-9-13(17)16(19)15-12(14 )3-2-8-18-15/h2-9,19H,1H3; VRULDRRQTAPONR-UHFFFAOYSA-N |
Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc 23; Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3 )O)F |
7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol |
| 20732 | FGR | 2 | C8 H15 N2 O9 P | InChI=1S/C8H15N2O9P/c11-3 -9-1-5(12)10-8-7(14)6(13) 4(19-8)2-18-20(15,16)17/h 3-4,6-8,13-14H,1-2H2,(H,9 ,11)(H,10,12)(H2,15,16,17 )/t4-,6-,7-,8-/m1/s1; VDXLUNDMVKSKHO-XVFCMESISA-N |
C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC =O)O)O)OP(=O)(O)O; O=C(NC1OC(C(O)C1O)COP (=O)(O)O)CNC=O; O[CH]1[CH](O)[CH](NC(=O) CNC=O)O[CH]1CO[P](O)(O)=O; C(C1C(C(C(O1) NC(=O)CNC=O)O)O)OP(=O)(O)O; O[C@H]1[C@@H ](O)[C@H](NC(=O)CNC=O)O[C@@H]1CO[P](O)(O )=O |
N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE |
| 20733 | FGS ZINC000058638641 |
2 | C8 H18 N O9 P | InChI=1S/C8H18NO9P/c1-4(1 1)9-5(2-10)7(13)8(14)6(12 )3-18-19(15,16)17/h5-8,10 ,12-14H,2-3H2,1H3,(H,9,11 )(H2,15,16,17)/t5-,6-,7+, 8+/m0/s1; WHHOIWRDVIBHSP-RULNZFCNSA-N |
CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P ](O)(O)=O; CC(=O)N[C@@H](CO)[C@@H](O)[C@ H](O)[C@@H](O)CO[P](O)(O)=O; CC(=O)NC(CO )C(C(C(COP(=O)(O)O)O)O)O; CC(=O)N[C@@H]( CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O; O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO |
5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL |
| 20734 | FGT CHEMBL63857 DB04824 ZINC000003831317 |
3 | C20 H14 O4 | InChI=1S/C20H14O4/c21-15- 9-5-13(6-10-15)20(14-7-11 -16(22)12-8-14)18-4-2-1-3 -17(18)19(23)24-20/h1-12, 21-22H; KJFMBFZCATUALV-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc 4)O; Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc (O)cc4 |
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one; phenolphthalein |
| 20735 | FGU | 1 | C10 H20 N2 O2 S | InChI=1S/C10H20N2O2S/c1-7 (2)6-9(11)10(14)15-5-4-12 -8(3)13/h7,9H,4-6,11H2,1- 3H3,(H,12,13)/t9-/m0/s1; FGUKBCKKFXHYHQ-VIFPVBQESA-N |
CC(C)C[CH](N)C(=O)SCCNC(C)=O; CC(C)C[C@@ H](C(=O)SCCNC(=O)C)N; CC(C)C[C@H](N)C(=O )SCCNC(C)=O; CC(C)CC(C(=O)SCCNC(=O)C)N |
S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate |
| 20736 | FGV CHEMBL3349692 ZINC000100590871 |
1 | C6 H15 O15 P3 | InChI=1S/C6H15O15P3/c7-1- 4(19-22(10,11)12)2(8)6(21 -24(16,17)18)3(9)5(1)20-2 3(13,14)15/h1-9H,(H2,10,1 1,12)(H2,13,14,15)(H2,16, 17,18)/t1-,2-,3-,4-,5+,6-; RURWIJNHQMXJDV-GBKPYZKPSA-N |
O[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H ](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O )=O; O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH] (O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O; C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)O P(=O)(O)O)O; C1(C(O)C(OP(O)(O)=O)C(O)C(C 1O)OP(=O)(O)O)OP(O)(O)=O |
(1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]; D-myo-inositol-1,3,5-trisphosphate |
| 20737 | FGW | 0 | C60 H76 N21 O10 | InChI=1S/C60H75N21O10/c1- 35(2)81-21-19-62-51(81)59 (90)69-40-26-46(78(9)32-4 0)57(88)67-38-24-44(76(7) 30-38)55(86)65-36-22-42(7 4(5)28-36)53(84)63-16-12- 14-50(83)71-48-34-80(11)5 2(72-48)60(91)70-41-27-47 (79(10)33-41)58(89)68-39- 25-45(77(8)31-39)56(87)66 -37-23-43(75(6)29-37)54(8 5)64-18-15-49(82)61-17-13 -20-73(3)4/h19,21-35H,12- 18,20H2,1-11H3,(H,61,82)( H,63,84)(H,64,85)(H,65,86 )(H,66,87)(H,67,88)(H,68, 89)(H,69,90)(H,70,91)(H,7 1,83)/p+1; GJZDNWOYNBZDEA-UHFFFAOYSA-O |
CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc (n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O) Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc( n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NC CC[NH+](C)C)C; CC(C)n1ccnc1C(=O)Nc2cn(C) c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4 )C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C )c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c 8)C(=O)NCCC(=O)NCCC[NH+](C)C |
dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium |
| 20738 | FGX | 1 | C28 H31 B N5 O9 P S | InChI=1S/C28H31BN5O9PS/c1 -15(35)12-45-19-6-4-17(5- 7-19)23(36)18-3-2-16-8-9- 29(20(16)10-18)42-24-21(1 1-40-44(37,38)39)41-28(25 (24)43-29)34-14-33-22-26( 30)31-13-32-27(22)34/h2-7 ,10,13-14,21,23-25,28,36- 39H,8-9,11-12H2,1H3,(H2,3 0,31,32)/t21-,23+,24-,25+ ,28+,29+/m0/s1; YYNKFKBRIAWSCO-QTPLPVLTSA-N |
CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O [CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6 cnc7c(N)ncnc67)c3c2; CC(=O)CSc1ccc(cc1)[ C@@H](O)c2ccc3CC[B-]4(O[C@H]5[C@H](CO[P+ ](O)(O)O)O[C@H]([C@@H]5O4)n6cnc7c(N)ncnc 67)c3c2; [B-]12(CCc3c1cc(cc3)C(c4ccc(cc4 )SCC(=O)C)O)OC5C(OC(C5O2)n6cnc7c6ncnc7N) CO[P+](O)(O)O; [B-]12(CCc3c1cc(cc3)[C@@H ](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C @H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O )O |
[(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium |
| 20739 | FGY CHEMBL4167623 |
6 | C27 H35 N5 O6 | InChI=1S/C27H35N5O6/c1-17 (23(34)28-15-18-8-6-5-7-9 -18)30-26(37)21(14-22(33) 29-16-27(2,3)4)31-24(35)1 9-10-12-20(13-11-19)25(36 )32-38/h5-13,17,21,38H,14 -16H2,1-4H3,(H,28,34)(H,2 9,33)(H,30,37)(H,31,35)(H ,32,36)/t17-,21-/m0/s1; CMINWSPSBRREEO-UWJYYQICSA-N |
C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(= O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO; C[ CH](NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)c1 ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2; C(C(NC( C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1) =O)=O)C)(NCc2ccccc2)=O; CC(C(=O)NCc1cccc c1)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c2ccc( cc2)C(=O)NO; C[C@H](NC(=O)[C@H](CC(=O)NC C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NC c2ccccc2 |
N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide |
| 20740 | FGZ ZINC000000156492 |
1 | C7 H4 Cl2 O3 | InChI=1S/C7H4Cl2O3/c8-4-1 -3(7(11)12)2-5(9)6(4)10/h 1-2,10H,(H,11,12); AULKDLUOQCUNOK-UHFFFAOYSA-N |
O=C(c1cc(Cl)c(O)c(Cl)c1)O; c1c(cc(c(c1Cl )O)Cl)C(=O)O; OC(=O)c1cc(Cl)c(O)c(Cl)c1 |
3,5-dichloro-4-hydroxybenzoic acid |
| 20741 | FH0 CHEMBL4776838 |
2 | C26 H28 N8 O | InChI=1S/C26H28N8O/c1-32- 11-13-33(14-12-32)21-6-4- 20(5-7-21)29-26-28-10-8-2 2(30-26)24-23-18-35-16-15 -34(23)31-25(24)19-3-2-9- 27-17-19/h2-10,17H,11-16, 18H2,1H3,(H,28,29,30); OCSGNUMYNBZDDW-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc 4c6cccnc6)cc2; CN1CCN(CC1)c2ccc(cc2)Nc3n ccc(n3)c4c5n(nc4c6cccnc6)CCOC5 |
~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine |
| 20742 | FH1 CHEMBL4215267 |
1 | C37 H50 N6 O9 S | InChI=1S/C37H50N6O9S/c1-8 -22-19-37(22,33(46)42-53( 48,49)36(6)15-16-36)41-30 (44)28-18-25(51-31-21(2)3 8-26-14-13-24(50-7)17-27( 26)39-31)20-43(28)32(45)2 9(35(3,4)5)40-34(47)52-23 -11-9-10-12-23/h8,13-14,1 7,22-23,25,28-29H,1,9-12, 15-16,18-20H2,2-7H3,(H,40 ,47)(H,41,44)(H,42,46)/t2 2-,25-,28+,29-,37-/m1/s1; XMUMASNXHDVGQJ-LCWNRMNXSA-N |
Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3 )C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O )N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC 6)C; COc1ccc2nc(C)c(O[CH]3C[CH](N(C3)C(= O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C] 5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc 2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(= O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5 C=C)C(=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc( C)c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(= O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5 C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1; C3( CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C) (C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O )NS(C6(CC6)C)(=O)=O)=O |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide |
| 20743 | FH2 | 1 | C7 H11 F O4 | InChI=1S/C7H11FO4/c8-5-4( 10)1-3(2-9)6(11)7(5)12/h1 ,4-7,9-12H,2H2/t4-,5-,6-, 7+/m0/s1; GCEFMEUYUSFIFI-ZTYPAOSTSA-N |
C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)C O; OCC1=C[C@H](O)[C@H](F)[C@@H](O)[C@H]1 O; C1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O )[CH](F)[CH](O)[CH]1O |
(1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
| 20744 | FH3 CHEMBL3087778 ZINC000095921385 |
1 | C18 H22 Cl N7 O | InChI=1S/C18H22ClN7O/c1-1 0-13(9-25(3)24-10)17-22-1 5-16(14(19)7-21-18(15)23- 17)26-5-4-12(8-26)6-20-11 (2)27/h7,9,12H,4-6,8H2,1- 3H3,(H,20,27)(H,21,22,23) /t12-/m0/s1; KLKOJHYRAITDCX-LBPRGKRZSA-N |
Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[C@@H] (CNC(C)=O)C4)c3n2; Cc1c(cn(n1)C)c2[nH]c3 c(n2)c(c(cn3)Cl)N4CCC(C4)CNC(=O)C; Cc1c( cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H ](C4)CNC(=O)C; Cn1cc(c(C)n1)c2[nH]c3ncc( Cl)c(N4CC[CH](CNC(C)=O)C4)c3n2; O=C(NCC4 CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C |
(S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide |
| 20745 | FH4 CHEMBL4205968 |
1 | C39 H54 N6 O9 S | InChI=1S/C39H54N6O9S/c1-9 -23-20-39(23,35(48)44-55( 50,51)38(7)16-17-38)43-32 (46)29-19-26(53-33-30(22( 2)3)40-27-15-14-25(52-8)1 8-28(27)41-33)21-45(29)34 (47)31(37(4,5)6)42-36(49) 54-24-12-10-11-13-24/h9,1 4-15,18,22-24,26,29,31H,1 ,10-13,16-17,19-21H2,2-8H 3,(H,42,49)(H,43,46)(H,44 ,48)/t23-,26-,29+,31-,39- /m1/s1; SXDJYVUXIXGZPI-GQBWDAOWSA-N |
COc1ccc2nc(C(C)C)c(O[CH]3C[CH](N(C3)C(=O )[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5 (C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2 c1; COc1ccc2nc(C(C)C)c(O[C@@H]3C[C@H](N( C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C (=O)N[C@@]5(C[C@H]5C=C)C(=O)N[S](=O)(=O) C6(C)CC6)nc2c1; CC(C)c1c(nc2cc(ccc2n1)OC )O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C )NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C) C(=O)NS(=O)(=O)C6(CC6)C; C5(C(NC1(C(/C=C )C1)C(=O)NS(C2(CC2)C)(=O)=O)=O)CC(Oc4c(n c3ccc(cc3n4)OC)C(C)C)CN5C(=O)C(C(C)(C)C) NC(OC6CCCC6)=O; CC(C)c1c(nc2cc(ccc2n1)OC )OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCC C4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6 )C |
N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide |
| 20746 | FH5 CHEMBL3087776 ZINC000095921384 |
1 | C17 H20 Cl N7 O | InChI=1S/C17H20ClN7O/c1-9 -12(8-24(3)23-9)16-21-14- 15(13(18)6-19-17(14)22-16 )25-5-4-11(7-25)20-10(2)2 6/h6,8,11H,4-5,7H2,1-3H3, (H,20,26)(H,19,21,22)/t11 -/m0/s1; XDTMWNUVKUHOQV-NSHDSACASA-N |
Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[CH](C 4)NC(C)=O)c3n2; Cn1cc(c(C)n1)c2[nH]c3ncc (Cl)c(N4CC[C@@H](C4)NC(C)=O)c3n2; O=C(NC 4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C; Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4C CC(C4)NC(=O)C; Cc1c(cn(n1)C)c2[nH]c3c(n2 )c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C |
(S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide |
| 20747 | FH6 | 1 | C8 H14 N2 O2 S | InChI=1S/C8H14N2O2S/c1-5- 7(2-8(12)10-5)13-4-6(9)3- 11/h3,5-7H,2,4,9H2,1H3,(H ,10,12)/t5-,6+,7+/m0/s1; DSBMZROJCWDNEG-RRKCRQDMSA-N |
C[C@H]1[C@@H](CC(=O)N1)SC[C@@H](C=O)N; C [C@@H]1NC(=O)C[C@H]1SC[C@H](N)C=O; CC1C( CC(=O)N1)SCC(C=O)N; C[CH]1NC(=O)C[CH]1SC [CH](N)C=O |
(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal |
| 20748 | FH7 ZINC000058631470 |
0 | C6 H12 N2 O4 | InChI=1S/C6H12N2O4/c7-5(6 (10)11)2-1-3-8(12)4-9/h4- 5,12H,1-3,7H2,(H,10,11)/t 5-/m1/s1; KORLZEIJSHHTDW-RXMQYKEDSA-N |
O=C(O)C(N)CCCN(O)C=O; C(C[C@H](C(=O)O)N) CN(C=O)O; N[CH](CCCN(O)C=O)C(O)=O; C(CC( C(=O)O)N)CN(C=O)O; N[C@H](CCCN(O)C=O)C(O )=O |
N^5^-formyl-N^5^-hydroxy-D-ornithine |
| 20749 | FH8 ZINC000022054130 |
0 | C25 H23 N2 O5 | InChI=1S/C25H22N2O5/c1-26 (2)15-6-9-18-21(12-15)32- 22-13-16(27(3)4)7-10-19(2 2)23(18)17-8-5-14(24(28)2 9)11-20(17)25(30)31/h5-13 H,1-4H3,(H-,28,29,30,31)/ p+1; YMZMTOFQCVHHFB-UHFFFAOYSA-O |
CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O )=O)C(O)=O)=[N+](C)C)c1; CN(C)c1ccc2c(c1 )OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O) O)C(=O)O |
5-carboxy methylrhodamine |
| 20750 | FH9 CHEMBL3577332 ZINC000230520268 |
1 | C21 H40 N4 O4 | InChI=1S/C21H40N4O4/c1-15 (2)11-13-23-19(26)18(14-1 6-8-4-3-5-9-16)25-21(29)2 4-17(20(27)28)10-6-7-12-2 2/h15-18H,3-14,22H2,1-2H3 ,(H,23,26)(H,27,28)(H2,24 ,25,29)/t17-,18+/m0/s1; PNONBGCPQRQQBB-ZWKOTPCHSA-N |
CC(C)CCNC(=O)[CH](CC1CCCCC1)NC(=O)N[CH]( CCCCN)C(O)=O; CC(C)CCNC(=O)[C@@H](CC1CCC CC1)NC(=O)N[C@@H](CCCCN)C(=O)O; CC(C)CCN C(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O; CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@ @H](CCCCN)C(O)=O |
(2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid |
| 20751 | FHA ZINC000034624499 |
1 | C11 H17 F N5 O11 P3 | InChI=1S/C11H17FN5O11P3/c 12-11(30(21,22)28-31(23,2 4)25)29(19,20)26-2-6-5(18 )1-7(27-6)17-4-16-8-9(13) 14-3-15-10(8)17/h3-7,11,1 8H,1-2H2,(H,19,20)(H,21,2 2)(H2,13,14,15)(H2,23,24, 25)/t5-,6+,7+,11-/m0/s1; HAJKJTDYTZCDDL-LLVCWYDASA-N |
O=P(O)(O)OP(=O)(O)C(F)P(=O)(O)OCC3OC(n2c nc1c(ncnc12)N)CC3O; Nc1ncnc2n(cnc12)[CH] 3C[CH](O)[CH](CO[P](O)(=O)[CH](F)[P](O)( =O)O[P](O)(O)=O)O3; Nc1ncnc2n(cnc12)[C@H ]3C[C@H](O)[C@@H](CO[P](O)(=O)[C@H](F)[P ](O)(=O)O[P](O)(O)=O)O3; c1nc(c2c(n1)n(c n2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@ H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N; c1nc(c 2c(n1)n(cn2)C3CC(C(O3)COP(=O)(C(F)P(=O)( O)OP(=O)(O)O)O)O)N |
2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine |
| 20752 | FHB ZINC000000404062 |
17 | C7 H5 F O3 | InChI=1S/C7H5FO3/c8-5-3-4 (7(10)11)1-2-6(5)9/h1-3,9 H,(H,10,11); IUSDEKNMCOUBEE-UHFFFAOYSA-N |
OC(=O)c1ccc(O)c(F)c1; Fc1cc(C(=O)O)ccc1O ; c1cc(c(cc1C(=O)O)F)O |
3-FLUORO-4-HYDROXYBENZOIC ACID |
| 20753 | FHC DB02384 |
11 | C9 H6 F O3 | InChI=1S/C9H7FO3/c10-8(9( 12)13)5-6-1-3-7(11)4-2-6/ h1-5,11H,(H,12,13)/p-1/b8 -5+; SBIZDOWXYPNTOJ-VMPITWQZSA-M |
c1cc(ccc1\C=C(/C(=O)[O-])\F)O; [O-]C(=O) C(/F)=C\c1ccc(O)cc1; Oc1ccc(cc1)\C=C(F)/ C([O-])=O; Oc1ccc(cc1)C=C(F)C([O-])=O; c 1cc(ccc1C=C(C(=O)[O-])F)O |
2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE; (E)-2-FLUORO-P-HYDROXYCINNAMATE |
| 20754 | FHD | 1 | C36 H49 Cl N6 O9 S | InChI=1S/C36H49ClN6O9S/c1 -8-10-11-16-51-33(47)40-2 7(34(3,4)5)31(45)43-20-23 (52-30-28(37)38-24-13-12- 22(50-7)17-25(24)39-30)18 -26(43)29(44)41-36(19-21( 36)9-2)32(46)42-53(48,49) 35(6)14-15-35/h9,12-13,17 ,21,23,26-27H,2,8,10-11,1 4-16,18-20H2,1,3-7H3,(H,4 0,47)(H,41,44)(H,42,46)/t 21-,23-,26+,27-,36-/m1/s1; GCSLYGDUYMRXAE-BTMIYQIWSA-N |
C1(CC(CN1C(C(C(C)(C)C)NC(=O)OCCCCC)=O)Oc 3c(nc2ccc(cc2n3)OC)Cl)C(NC4(C(/C=C)C4)C( NS(C5(CC5)C)(=O)=O)=O)=O; CCCCCOC(=O)NC( C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O) (=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C )(C)C; CCCCCOC(=O)N[CH](C(=O)N1C[CH](C[C H]1C(=O)N[C]2(C[CH]2C=C)C(=O)N[S](=O)(=O )C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)(C)C ; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H ]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O )C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C )C; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C @H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)N[S](=O )(=O)C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C) (C)C |
3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide |
| 20755 | FHE | 0 | C22 H20 N4 O7 | InChI=1S/C22H20N4O7/c1-13 (27)20(23)21-24-17(22(30) 25(21)11-19(28)29)10-14-6 -8-16(9-7-14)33-12-15-4-2 -3-5-18(15)26(31)32/h2-10 ,20H,11-12,23H2,1H3,(H,28 ,29)/b17-10-/t20-/m0/s1; KREAIPAPYKOQTE-PSXSOWLISA-N |
CC(=O)C(C1=NC(=Cc2ccc(cc2)OCc3ccccc3[N+] (=O)[O-])C(=O)N1CC(=O)O)N; CC(=O)[CH](N) C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2 )C(=O)N1CC(O)=O; CC(=O)[C@H](N)C1=NC(=C/ c2ccc(OCc3ccccc3[N+]([O-])=O)cc2)\C(=O)N 1CC(O)=O; CC(=O)[C@@H](C1=N/C(=C\c2ccc(c c2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O) O)N |
2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
| 20756 | FHF CHEMBL1643878 ZINC000043154485 |
1 | C19 H28 F N3 O4 | InChI=1S/C19H28FN3O4/c1-4 -5-8-14(11-23(27)12-24)18 (25)17(13(2)3)22-19(26)21 -16-10-7-6-9-15(16)20/h6- 7,9-10,12-14,17,27H,4-5,8 ,11H2,1-3H3,(H2,21,22,26) /t14-,17+/m1/s1; OWFALUNDSZEADU-PBHICJAKSA-N |
CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc cc1F; O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O )C=O)C(C)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@ H](NC(=O)Nc1ccccc1F)C(C)C; CCCC[C@H](CN( C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F; CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1cc ccc1F)C(C)C |
N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide |
| 20757 | FHG ZINC000098208885 |
1 | C11 H17 F N5 O12 P3 | InChI=1S/C11H17FN5O12P3/c 12-10(30(20,21)22)31(23,2 4)29-32(25,26)27-2-5-4(18 )1-6(28-5)17-3-14-7-8(17) 15-11(13)16-9(7)19/h3-6,1 0,18H,1-2H2,(H,23,24)(H,2 5,26)(H2,20,21,22)(H3,13, 15,16,19)/t4-,5+,6+,10-/m 0/s1; PVDLZOAYDIZEDJ-KQQCLRPBSA-N |
O=P(O)(O)C(F)P(=O)(O)OP(=O)(O)OCC3OC(n2c nc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1[C@H]3C[ C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F )P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc 2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O [P](O)(=O)[CH](F)[P](O)(O)=O)O3; c1nc2c( n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O )O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1 )[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P]( O)(=O)[C@@H](F)[P](O)(O)=O)O3 |
2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
| 20758 | FHH | 2 | C14 H18 N2 O4 | InChI=1S/C14H18N2O4/c1-20 -12(17)6-3-7-15-13(18)10- 8-9-4-2-5-11(9)16-14(10)1 9/h8H,2-7H2,1H3,(H,15,18) (H,16,19); LFOKUSURFOQCKJ-UHFFFAOYSA-N |
COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O | methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate |
| 20759 | FHI CHEMBL1232738 ZINC000006453326 |
1 | C13 H7 F2 I O3 | InChI=1S/C13H7F2IO3/c14-7 -1-2-8(10(15)5-7)6-3-9(13 (18)19)12(17)11(16)4-6/h1 -5,17H,(H,18,19); SSYOLLIRAAWGDJ-UHFFFAOYSA-N |
c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O; Ic 2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O; OC(=O)c1 cc(cc(I)c1O)c2ccc(F)cc2F |
2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID; IODODIFLUNISAL |
| 20760 | FHJ | 1 | C25 H27 N O5 | InChI=1S/C25H27NO5/c1-16- 9-11-17(12-10-16)15-20(26 -18-7-5-4-6-8-18)25-14-13 -19(31-25)21(23(27)29-2)2 2(25)24(28)30-3/h4-14,19- 22,26H,15H2,1-3H3/t19-,20 +,21+,22-,25-/m1/s1; AOCBOTNEIQNHIY-OAKYZLIPSA-N |
Cc1ccc(cc1)CC(C23C=CC(O2)C(C3C(=O)OC)C(= O)OC)Nc4ccccc4; Cc1ccc(cc1)C[C@@H]([C@@] 23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(= O)OC)Nc4ccccc4; COC(=O)[CH]1[CH]2O[C](C= C2)([CH](Cc3ccc(C)cc3)Nc4ccccc4)[CH]1C(= O)OC; COC(=O)[C@H]1[C@@H]2O[C@](C=C2)([C @H](Cc3ccc(C)cc3)Nc4ccccc4)[C@H]1C(=O)OC ; c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3) C(=O)OC)Cc4ccc(cc4)C |
dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
| 20761 | FHK | 6 | C21 H14 N2 O6 S | InChI=1S/C21H14N2O6S/c24- 19-17-3-1-2-4-18(17)20(25 )23(19)15-9-11-16(12-10-1 5)30(28,29)22-14-7-5-13(6 -8-14)21(26)27/h1-12,22H, (H,26,27); KCHARURJHJMOQX-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(= O)Nc4ccc(cc4)C(=O)O; OC(=O)c1ccc(N[S](=O )(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1 |
4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid |
| 20762 | FHL ZINC000058633190 |
0 | C11 H20 N2 O5 | InChI=1S/C11H20N2O5/c12-9 (11(17)18)3-1-2-6-13-8(7- 14)4-5-10(15)16/h9,14H,1- 7,12H2,(H,15,16)(H,17,18) /b13-8+/t9-/m0/s1; PTXADOKTUKJDDE-ITTMYVLYSA-N |
N[C@@H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CC /N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N; N[C H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CCN=C(C CC(=O)O)CO)CC(C(=O)O)N; O=C(O)C(N)CCCC/N =C(/CO)CCC(=O)O |
(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE; 2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID |
| 20763 | FHM CHEMBL124718 DB07769 ZINC000003991694 |
3 | C17 H14 F4 N2 O5 | InChI=1S/C17H14F4N2O5/c1- 16(25,9-28-12-5-2-10(18)3 -6-12)15(24)22-11-4-7-14( 23(26)27)13(8-11)17(19,20 )21/h2-8,25H,9H2,1H3,(H,2 2,24)/t16-/m0/s1; KJMFOTCDISOHDX-INIZCTEOSA-N |
CC(COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)( F)F)[N+](=O)[O-])O; C[C](O)(COc1ccc(F)cc 1)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O ; C[C@](O)(COc1ccc(F)cc1)C(=O)Nc2ccc(c(c 2)C(F)(F)F)[N+]([O-])=O; C[C@](COc1ccc(c c1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O) [O-])O; FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC (=O)C(O)(COc2ccc(F)cc2)C |
S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE |
| 20764 | FHN | 2 | C7 H16 N O5 | InChI=1S/C7H15NO5/c9-1-3- 5(11)7(13)6(12)4(2-10)8-3 /h3-13H,1-2H2/p+1/t3-,4-, 5+,6+/m0/s1; CLVUFWXGNIFGNC-UNTFVMJOSA-O |
OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1 O; C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1 )CO)O)O)O)O; C(C1C(C(C(C([NH2+]1)CO)O)O) O)O; OC[C@@H]1[NH2+][C@@H](CO)[C@@H](O)[ C@H](O)[C@@H]1O; OC1C(CO)[NH2+]C(C(O)C1O )CO |
(2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM |
| 20765 | FHO ZINC000058633193 |
0 | C6 H12 N2 O4 | InChI=1S/C6H12N2O4/c7-5(6 (10)11)2-1-3-8(12)4-9/h4- 5,12H,1-3,7H2,(H,10,11)/t 5-/m0/s1; KORLZEIJSHHTDW-YFKPBYRVSA-N |
O=C(O)C(N)CCCN(O)C=O; N[CH](CCCN(O)C=O)C (O)=O; C(C[C@@H](C(=O)O)N)CN(C=O)O; N[C@ @H](CCCN(O)C=O)C(O)=O; C(CC(C(=O)O)N)CN( C=O)O |
N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE |
| 20766 | FHP ZINC000001535663 |
4 | C15 H27 O4 P | InChI=1S/C15H27O4P/c1-12( 2)7-5-8-13(3)9-6-10-14(4) 11-15(16)20(17,18)19/h7,9 ,11,15-16H,5-6,8,10H2,1-4 H3,(H2,17,18,19)/b13-9+,1 4-11+/t15-/m1/s1; MONZTFSZTWQCKH-UBHHKXJDSA-N |
CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/ C)/C)C; CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H] (O)[P](O)(O)=O; CC(=CCCC(=CCCC(=CC(O)P(= O)(O)O)C)C)C; CC(C)=CCCC(C)=CCCC(C)=C[CH ](O)[P](O)(O)=O; O=P(O)(O)C(O)/C=C(/CC\C =C(/C)CC\C=C(/C)C)C |
1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID; FARNESYL HYDROXYPHOSPHONATE |
| 20767 | FHQ ZINC000006557364 |
2 | C10 H9 Br N6 O | InChI=1S/C10H9BrN6O/c11-8 -3-1-7(2-4-8)6-12-15-10(1 8)5-9-13-16-17-14-9/h1-4, 6H,5H2,(H,15,18)(H,13,14, 16,17)/b12-6+; JWJFYTRXLSOUEZ-WUXMJOGZSA-N |
Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2; c1cc(c cc1C=NNC(=O)Cc2n[nH]nn2)Br; Brc1ccc(cc1) /C=N/NC(=O)Cc2n[nH]nn2; c1cc(ccc1/C=N/NC (=O)Cc2n[nH]nn2)Br |
~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| 20768 | FHR CHEMBL4796938 |
14 | C25 H32 N4 O4 | InChI=1S/C25H32N4O4/c30-1 5-19(13-18-10-11-26-23(18 )31)27-24(32)21(12-16-6-2 -1-3-7-16)29-25(33)22-14- 17-8-4-5-9-20(17)28-22/h4 -5,8-9,14-16,18-19,21,28H ,1-3,6-7,10-13H2,(H,26,31 )(H,27,32)(H,29,33)/t18-, 19-,21-/m0/s1; HPKJGHVHQWJOOT-ZJOUEHCJSA-N |
c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCC C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O; O=C [CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2) NC(=O)c3[nH]c4ccccc4c3; c1ccc2c(c1)cc([n H]2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCNC4=O )C=O; O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@ H](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3 |
~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide |
| 20769 | FHS | 3 | C30 H44 N4 O9 S | InChI=1S/C30H44N4O9S/c1-1 9(2)14-23(27(37)32-24(28( 38)44(40,41)42)16-21-8-11 -31-26(21)36)33-29(39)43- 22-17-30(18-22)9-12-34(13 -10-30)25(35)15-20-6-4-3- 5-7-20/h3-7,19,21-24,28,3 8H,8-18H2,1-2H3,(H,31,36) (H,32,37)(H,33,39)(H,40,4 1,42)/t21-,23-,24-,28-/m0 /s1; YKVWDIALSLITCN-GLIKCIFVSA-N |
CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc 3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O) [C@@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O )C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2c cccc2)C1)C(O)S(=O)(=O)O; CC(C)C[C@@H](C( =O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4 ; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(= O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4cccc c4; CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O )Cc3ccccc3)C1)C(=O)N[CH](C[CH]4CCNC4=O)[ CH](O)[S](O)(=O)=O |
(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
| 20770 | FHT | 1 | C10 H11 Br N7 O2 | InChI=1S/C10H10BrN7O2/c11 -6-3-1-5(2-4-6)9(19)13-7( 10(20)14-12)8-15-17-18-16 -8/h1-4,7H,12H2,(H,13,19) (H,14,20)(H,15,16,17,18)/ p+1/t7-/m1/s1; UZGSPOKOIKICEW-SSDOTTSWSA-O |
c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[N H3+])Br; c1cc(ccc1C(=O)NC(c2n[nH]nn2)C(= O)N[NH3+])Br; [NH3+]NC(=O)[CH](NC(=O)c1c cc(Br)cc1)c2n[nH]nn2; [NH3+]NC(=O)[C@H]( NC(=O)c1ccc(Br)cc1)c2n[nH]nn2 |
[[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
| 20771 | FHU ZINC000058633485 |
0 | C9 H14 F N2 O10 P | InChI=1S/C9H14FN2O10P/c10 -9(6(15)11-8(17)12-7(9)16 )5-4(14)3(13)2(22-5)1-21- 23(18,19)20/h2-6,13-15H,1 H2,(H2,18,19,20)(H2,11,12 ,16,17)/t2-,3-,4-,5-,6-,9 +/m1/s1; MDODZQNHCLANBT-ZTZBTGHISA-N |
O[C@H]1NC(=O)NC(=O)[C@]1(F)[C@@H]2O[C@H] (CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=P(OCC 1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O; O [CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P] (O)(O)=O)[CH](O)[CH]2O; C([C@@H]1[C@H]([ C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O) O)F)O)O)OP(=O)(O)O; C(C1C(C(C(O1)C2(C(NC (=O)NC2=O)O)F)O)O)OP(=O)(O)O |
(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE |
| 20772 | FHV CHEMBL1445271 ZINC000004840665 |
1 | C12 H16 N2 O | InChI=1S/C12H16N2O/c1-10- 5-4-6-11(9-10)13-12(15)14 -7-2-3-8-14/h4-6,9H,2-3,7 -8H2,1H3,(H,13,15); GBAXIZXGDZHLTH-UHFFFAOYSA-N |
O=C(Nc1cc(ccc1)C)N2CCCC2; Cc1cccc(c1)NC( =O)N2CCCC2; Cc1cccc(NC(=O)N2CCCC2)c1 |
N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE |
| 20773 | FHW | 1 | C10 H12 N6 O | InChI=1S/C10H12N6O/c11-12 -10(17)8(9-13-15-16-14-9) 6-7-4-2-1-3-5-7/h1-5,8H,6 ,11H2,(H,12,17)(H,13,14,1 5,16)/t8-/m1/s1; SGFUQCKYWZCXFN-MRVPVSSYSA-N |
NNC(=O)[C@H](Cc1ccccc1)c2n[nH]nn2; c1ccc (cc1)CC(c2n[nH]nn2)C(=O)NN; NNC(=O)[CH]( Cc1ccccc1)c2n[nH]nn2; c1ccc(cc1)C[C@H](c 2n[nH]nn2)C(=O)NN |
(2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide |
| 20774 | FHX CHEMBL4297507 DB16133 ZINC000117625213 |
1 | C16 H18 N6 O | InChI=1S/C16H18N6O/c1-11- 8-22(13(23)2-5-17)16(11)4 -7-21(9-16)15-12-3-6-18-1 4(12)19-10-20-15/h3,6,10- 11H,2,4,7-9H2,1H3,(H,18,1 9,20)/t11-,16-/m0/s1; LOWWYYZBZNSPDT-ZBEGNZNMSA-N |
C[C@H]1CN(C(=O)CC#N)[C@]12CCN(C2)c3ncnc4 [nH]ccc34; CC1CN(C12CCN(C2)c3c4cc[nH]c4n cn3)C(=O)CC#N; C[CH]1CN(C(=O)CC#N)[C]12C CN(C2)c3ncnc4[nH]ccc34; C[C@H]1CN([C@]12 CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N |
3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile |
| 20775 | FHY | 2 | C20 H32 N2 O13 | InChI=1S/C20H32N2O13/c1-7 (24)21-11-14(27)13(26)9(5 -23)32-18(11)34-16-12(22- 8(2)25)17(30-4)33-10-6-31 -20(3,19(28)29)35-15(10)1 6/h9-18,23,26-27H,5-6H2,1 -4H3,(H,21,24)(H,22,25)(H ,28,29)/t9-,10-,11-,12+,1 3-,14-,15-,16-,17-,18+,20 +/m1/s1; HMXWDMHKOICGNH-MYXXRMNRSA-N |
CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O[CH]3O [CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)[CH]1 NC(C)=O)C(O)=O; CC(=O)NC2C(OC)OC1COC(OC1 C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O; CC(=O)NC1C(C(C(OC1OC2C(C(OC3C2OC(OC3)(C) C(=O)O)OC)NC(=O)C)CO)O)O; CC(=O)N[C@@H]1 [C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H] ([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O) O)OC)NC(=O)C)CO)O)O; CO[C@@H]1O[C@@H]2CO [C@@](C)(O[C@H]2[C@H](O[C@@H]3O[C@H](CO) [C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]1NC (C)=O)C(O)=O |
(2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
| 20776 | FHZ | 1 | C11 H14 N6 O2 | InChI=1S/C11H14N6O2/c1-19 -8-4-2-7(3-5-8)6-9(11(18) 13-12)10-14-16-17-15-10/h 2-5,9H,6,12H2,1H3,(H,13,1 8)(H,14,15,16,17)/t9-/m1/ s1; OKIHHJXQEJHBAW-SECBINFHSA-N |
COc1ccc(C[C@@H](C(=O)NN)c2n[nH]nn2)cc1; COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN; COc1c cc(C[CH](C(=O)NN)c2n[nH]nn2)cc1; COc1ccc (cc1)C[C@H](c2n[nH]nn2)C(=O)NN |
(2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide |
| 20777 | FI0 ZINC000098208886 |
0 | C15 H26 N2 O | InChI=1S/C15H26N2O/c1-3-1 2(2)10-17-11-15(18)14(16) 9-13-7-5-4-6-8-13/h4-8,12 ,14-15,17-18H,3,9-11,16H2 ,1-2H3/t12-,14-,15+/m0/s1; BCCHGVZYNCKDJB-AEGPPILISA-N |
OC(C(N)Cc1ccccc1)CNCC(C)CC; CC[C@H](C)CN C[C@H]([C@H](Cc1ccccc1)N)O; CC[C@H](C)CN C[C@@H](O)[C@@H](N)Cc1ccccc1; CCC(C)CNCC (C(Cc1ccccc1)N)O; CC[CH](C)CNC[CH](O)[CH ](N)Cc1ccccc1 |
(2R,3S)-3-amino-1-{[(2S)-2-methylbutyl]amino}-4-phenylbutan-2-ol |
| 20778 | FI1 CHEMBL1923468 ZINC000073196564 |
1 | C28 H29 Cl N4 O5 S | InChI=1S/C28H29ClN4O5S/c2 9-22-8-6-20-13-23(9-7-19( 20)12-22)39(37,38)30-24-3 -2-10-31(28(24)36)17-27(3 5)32-14-18-11-21(16-32)25 -4-1-5-26(34)33(25)15-18/ h1,4-9,12-13,18,21,24,30H ,2-3,10-11,14-17H2/t18-,2 1+,24-/m0/s1; FLGSVBQCPOVGER-VNZMSGEBSA-N |
c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3= O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5; Clc 1ccc2cc(ccc2c1)[S](=O)(=O)N[CH]3CCCN(CC( =O)N4C[CH]5C[CH](C4)C6=CC=CC(=O)N6C5)C3= O; Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N( CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6; c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN (C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC (=O)N6C5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N [C@H]3CCCN(CC(=O)N4C[C@@H]5C[C@H](C4)C6= CC=CC(=O)N6C5)C3=O |
6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide |
| 20779 | FI3 ZINC000263620615 |
2 | C34 H38 Cl2 N8 O4 | InChI=1S/C34H38Cl2N8O4/c1 -5-30(45)40-24-8-6-22(7-9 -24)20-44(34(46)41-33-31( 35)26(47-3)18-27(48-4)32( 33)36)29-19-28(37-21-38-2 9)39-23-10-12-25(13-11-23 )43-16-14-42(2)15-17-43/h 6-13,18-19,21H,5,14-17,20 H2,1-4H3,(H,40,45)(H,41,4 6)(H,37,38,39); JQGSJUDIVJFQRL-UHFFFAOYSA-N |
Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2) Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)c c5; CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3cc c(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC )OC)Cl; CCC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c( OC)cc(OC)c2Cl)c3cc(Nc4ccc(cc4)N5CCN(C)CC 5)ncn3)cc1 |
N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide |
| 20780 | FI4 ZINC000058631472 |
1 | C20 H16 Cl F2 N5 O2 | InChI=1S/C20H16ClF2N5O2/c 1-10(29)9-24-18-16-17(12- 4-2-3-5-13(12)21)27-28-19 (16)26-20(25-18)30-15-7-6 -11(22)8-14(15)23/h2-8,10 ,29H,9H2,1H3,(H2,24,25,26 ,27,28)/t10-/m0/s1; ULOWCFSJXCABBL-JTQLQIEISA-N |
C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc( c4ccccc4Cl)c13; C[CH](O)CNc1nc(Oc2ccc(F) cc2F)nc3[nH]nc(c4ccccc4Cl)c13; Fc4ccc(Oc 1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F) c4; CC(CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F) F)c4ccccc4Cl)O; C[C@@H](CNc1c2c(n[nH]c2n c(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O |
(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol |
| 20781 | FI5 CHEMBL4575911 ZINC000051865451 |
1 | C11 H15 N3 O2 | InChI=1S/C11H15N3O2/c12-1 1(15)10-7-9(3-6-14-10)16- 8-1-4-13-5-2-8/h3,6-8,13H ,1-2,4-5H2,(H2,12,15); NMMFHPWVBDVMFL-UHFFFAOYSA-N |
NC(=O)c1cc(OC2CCNCC2)ccn1; c1cnc(cc1OC2C CNCC2)C(=O)N |
4-piperidin-4-yloxypyridine-2-carboxamide |
| 20782 | FI6 CHEMBL397983 ZINC000003842037 |
1 | C32 H28 F3 N5 O4 | InChI=1S/C32H28F3N5O4/c1- 3-43-25-14-10-24(11-15-25 )40-30(38-29-27(31(40)42) 7-5-17-37-29)21(2)39(20-2 3-6-4-16-36-19-23)28(41)1 8-22-8-12-26(13-9-22)44-3 2(33,34)35/h4-17,19,21H,3 ,18,20H2,1-2H3/t21-/m1/s1; WQTKNBPCJKRYPA-OAQYLSRUSA-N |
CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N (Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CC Oc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4c ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F; CCOc1cc c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c ccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CCOc1cc c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F |
N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide; (+/-)-AMG 487 |
| 20783 | FI7 CHEMBL1086657 ZINC000034853422 |
7 | C19 H22 N4 O5 | InChI=1S/C19H22N4O5/c1-19 (2,18(27)21-13-6-4-3-5-12 (13)17(25)26)9-15-22-16(2 3-28-15)14-8-7-11(24)10-2 0-14/h7-8,10,24H,3-6,9H2, 1-2H3,(H,21,27)(H,25,26); CJHXBFSJXDUJHP-UHFFFAOYSA-N |
CC(C)(Cc1onc(n1)c2ccc(O)cn2)C(=O)NC3=C(C CCC3)C(O)=O; CC(C)(Cc1nc(no1)c2ccc(cn2)O )C(=O)NC3=C(CCCC3)C(=O)O |
2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid |
| 20784 | FI8 CHEMBL1255800 DB08874 |
10 | C52 H74 Cl2 O18 | InChI=1S/C52H74Cl2O18/c1- 13-30-22-26(6)33(56)18-16 -15-17-31(23-66-51-45(65- 12)42(61)44(29(9)67-51)69 -49(64)35-32(14-2)36(53)3 9(58)37(54)38(35)57)48(63 )68-34(28(8)55)20-19-25(5 )21-27(7)43(30)70-50-41(6 0)40(59)46(52(10,11)72-50 )71-47(62)24(3)4/h15-17,1 9,21-22,24,28-30,33-34,40 -46,50-51,55-61H,13-14,18 ,20,23H2,1-12H3/b16-15+,2 5-19+,26-22+,27-21+,31-17 +/t28-,29-,30+,33+,34+,40 -,41+,42+,43+,44-,45+,46+ ,50-,51-/m1/s1; ZVGNESXIJDCBKN-UUEYKCAUSA-N |
CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@ H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\ C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[ C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H] ([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O) CC)/C)O)C; CC[C@H]1\C=C(/C)[C@@H](O)C\C= C\C=C(/CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3 c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC )C(=O)O[C@@H](C/C=C(C)/C=C(C)/[C@@H]1O[C @@H]4OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O) [C@@H]4O)[C@@H](C)O; CCc1c(c(c(c(c1Cl)O) Cl)O)C(=O)OC2C(OC(C(C2O)OC)OCC3=CC=CCC(C (=CC(C(C(=CC(=CCC(OC3=O)C(C)O)C)C)OC4C(C (C(C(O4)(C)C)OC(=O)C(C)C)O)O)CC)C)O)C; C C[CH]1C=C(C)[CH](O)CC=CC=C(CO[CH]2O[CH]( C)[CH](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C H](O)[CH]2OC)C(=O)O[CH](CC=C(C)C=C(C)[CH ]1O[CH]4OC(C)(C)[CH](OC(=O)C(C)C)[CH](O) [CH]4O)[CH](C)O |
Fidaxomicin |
| 20785 | FI9 CHEMBL5203226 ZINC000036753452 |
1 | C11 H15 N3 O2 | InChI=1S/C11H15N3O2/c12-9 -3-5-14(6-4-9)11(16)8-1-2 -10(15)13-7-8/h1-2,7,9H,3 -6,12H2,(H,13,15); PBJCAAQZCVURJN-UHFFFAOYSA-N |
NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2; C1CN(CCC 1N)C(=O)C2=CNC(=O)C=C2 |
5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one |
| 20786 | FIB | 0 | C6 F5 I | InChI=1/C6F5I/c7-1-2(8)4( 10)6(12)5(11)3(1)9; OPYHNLNYCRZOGY-UHFFFAOYAM |
Fc1c(F)c(F)c(F)c(I)c1F; c1(c(c(c(c(c1F)F )I)F)F)F; Fc1c(F)c(F)c(I)c(F)c1F |
1,2,3,4,5-pentafluoro-6-iodobenzene |
| 20787 | FIC CHEMBL23507 ZINC000000083028 |
7 | C9 H6 F N O2 | InChI=1S/C9H6FNO2/c10-6-1 -2-7-5(3-6)4-8(11-7)9(12) 13/h1-4,11H,(H,12,13); WTXBRZCVLDTWLP-UHFFFAOYSA-N |
c1cc2c(cc1F)cc([nH]2)C(=O)O; OC(=O)c1[nH ]c2ccc(F)cc2c1; Fc1cc2c(cc1)nc(c2)C(=O)O |
5-fluoroindole-2-carboxylic acid |
| 20788 | FID CHEMBL84446 DB02021 ZINC000003789766 |
12 | C12 H10 F N3 O4 | InChI=1S/C12H10FN3O4/c13- 5-1-2-7-6(3-5)12(4-8(20-7 )9(14)17)10(18)15-11(19)1 6-12/h1-3,8H,4H2,(H2,14,1 7)(H2,15,16,18,19)/t8-,12 -/m0/s1; WAAPEIZFCHNLKK-UFBFGSQYSA-N |
Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3; c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(= O)NC(=O)N3; c1cc2c(cc1F)C3(CC(O2)C(=O)N) C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(NC(=O)NC 2=O)c3cc(F)ccc3O1; NC(=O)[C@@H]1C[C@]2(N C(=O)NC2=O)c3cc(F)ccc3O1 |
(2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE; FIDARESTAT |
| 20789 | FIE | 2 | C24 H22 Cl F N4 O3 S | InChI=1S/C24H22ClFN4O3S/c 25-21-13-19(28-34(26,32)3 0-14-18-7-4-10-27-22(18)1 5-30)8-9-20(21)24(31)29-1 1-12-33-23(16-29)17-5-2-1 -3-6-17/h1-10,13,23H,11-1 2,14-16H2/t23-,34-/m1/s1; PGHSSRGHLFIKLE-GRMGDBHTSA-N |
c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl )N=[S@@](=O)(N4Cc5cccnc5C4)F; F[S](=O)(= Nc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc 3)N4Cc5cccnc5C4; F[S@@](=O)(=Nc1ccc(c(Cl )c1)C(=O)N2CCO[C@H](C2)c3ccccc3)N4Cc5ccc nc5C4; O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S( F)(=O)N2Cc3cccnc3C2)cc1Cl; c1ccc(cc1)C2C N(CCO2)C(=O)c3ccc(cc3Cl)N=S(=O)(N4Cc5ccc nc5C4)F |
(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride |
| 20790 | FIF ZINC000095921357 |
2 | C6 H9 F O5 | InChI=1S/C6H9FO5/c7-2-1-1 2-5(6(10)11)4(9)3(2)8/h2- 5,8-9H,1H2,(H,10,11)/t2-, 3+,4-,5+/m0/s1; KRAJNEOUENOZDR-SKNVOMKLSA-N |
O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O; FC1C( O)C(O)C(OC1)C(=O)O; O[C@@H]1[C@@H](F)CO[ C@H]([C@H]1O)C(O)=O; C1C(C(C(C(O1)C(=O)O )O)O)F; C1[C@@H]([C@H]([C@@H]([C@@H](O1) C(=O)O)O)O)F |
2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid; 2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form |
| 20791 | FIG CHEMBL5081435 |
1 | C13 H10 N2 O4 S | InChI=1S/C13H10N2O4S/c16- 10(8-4-2-1-3-5-8)7-20-13- 14-6-9(12(18)19)11(17)15- 13/h1-6H,7H2,(H,18,19)(H, 14,15,17); NAHGGWKCMVAKPT-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O; C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2 ; OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2 |
6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid |
| 20792 | FIH DB07770 ZINC000016051917 |
2 | C18 H14 F N O4 S2 | InChI=1S/C18H14FNO4S2/c1- 11-2-8-14(9-3-11)26(23,24 )20-15-10-16(25-17(15)18( 21)22)12-4-6-13(19)7-5-12 /h2-10,20H,1H3,(H,21,22); DJPFUQBNQLKCAB-UHFFFAOYSA-N |
Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3 ccc(F)cc3; Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2 C(=O)O)c3ccc(cc3)F; O=C(O)c2sc(cc2NS(=O) (=O)c1ccc(cc1)C)c3ccc(F)cc3 |
5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID; 5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI |
| 20793 | FII DB07771 ZINC000002046984 |
15 | C17 H30 N O5 P | InChI=1S/C17H30NO5P/c1-14 (2)7-5-8-15(3)9-6-10-16(4 )11-12-23-18-17(19)13-24( 20,21)22/h7,9,11H,5-6,8,1 0,12-13H2,1-4H3,(H,18,19) (H2,20,21,22)/b15-9+,16-1 1+; JAOBYUCYSAOLHS-XGGJEREUSA-N |
O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP( =O)(O)O; CC(=CCCC(=CCCC(=CCONC(=O)CP(=O) (O)O)C)C)C; CC(=CCC/C(=C/CC/C(=C/CONC(=O )CP(=O)(O)O)/C)/C)C; CC(C)=CCC\C(C)=C\CC \C(C)=C\CONC(=O)C[P](O)(O)=O; CC(C)=CCCC (C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O |
[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID; FPP ANALOG |
| 20794 | FIJ ZINC000001440847 |
1 | C18 H18 Cl2 O4 | InChI=1S/C18H18Cl2O4/c1-1 7(2)8-18(3,9-4-11(19)14(2 2)6-13(9)21)24-16-7-15(23 )12(20)5-10(16)17/h4-7,21 -23H,8H2,1-3H3/t18-/m0/s1; VSHLILKLIDPGCI-SFHVURJKSA-N |
CC1(CC(Oc2c1cc(c(c2)O)Cl)(C)c3cc(c(cc3O) O)Cl)C; CC1(C)C[C@](C)(Oc2cc(O)c(Cl)cc12 )c3cc(Cl)c(O)cc3O; C[C@]1(CC(c2cc(c(cc2O 1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl; CC1(C)C[C] (C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O |
4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol |
| 20795 | FIK | 2 | C24 H40 N4 O9 S | InChI=1S/C24H40N4O9S/c1-1 3(2)7-17(20(30)26-18(22(3 2)38(34,35)36)8-15-5-6-25 -19(15)29)27-23(33)37-16- 9-24(10-16)11-28(12-24)21 (31)14(3)4/h13-18,22,32H, 5-12H2,1-4H3,(H,25,29)(H, 26,30)(H,27,33)(H,34,35,3 6)/t15-,17-,18-,22-/m0/s1; HTJCLKWRDFEDBR-JVGYHMDPSA-N |
O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C( =O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C )C[C@H](NC(=O)OC1CC2(C1)CN(C2)C(=O)C(C)C )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[ S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O) C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(= O)C(C)C; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@ H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2 CC3(C2)CN(C3)C(=O)C(C)C; CC(C)C[CH](NC(= O)OC1CC2(C1)CN(C2)C(=O)C(C)C)C(=O)N[CH]( C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O |
(1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 20796 | FIL CHEMBL590754 DB02660 ZINC000000000308 |
2 | C15 H20 N2 O4 | InChI=1S/C15H20N2O4/c1-10 (17-21-15(16)18)11-7-8-13 (19-2)14(9-11)20-12-5-3-4 -6-12/h7-9,12H,3-6H2,1-2H 3,(H2,16,18)/b17-10+; STTRYQAGHGJXJJ-LICLKQGHSA-N |
CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC; COc 1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O; C/C(=N\O C(=O)N)/c1ccc(c(c1)OC2CCCC2)OC; COc1ccc( cc1OC2CCCC2)C(/C)=N/OC(N)=O |
(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME; FILAMINAST |
| 20797 | FIN CHEMBL202932 DB07772 ZINC000013680267 |
1 | C17 H22 N O6 P S | InChI=1S/C17H22NO6PS/c1-1 2(2)17(25(19,20)21)18-26( 22,23)16-10-6-14(7-11-16) 13-4-8-15(24-3)9-5-13/h4- 12,17-18H,1-3H3,(H2,19,20 ,21)/t17-/m1/s1; BZVYQWLRCHLAGK-QGZVFWFLSA-N |
CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC) P(=O)(O)O; CC(C)[C@H](NS(=O)(=O)c1ccc(cc 1)c2ccc(cc2)OC)P(=O)(O)O; O=P(O)(O)C(NS( =O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C; COc 1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C) C)[P](O)(O)=O; COc1ccc(cc1)c2ccc(cc2)[S] (=O)(=O)N[C@@H](C(C)C)[P](O)(O)=O |
(1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID |
| 20798 | FIO ZINC000098208887 |
0 | C7 H14 F N3 O2 | InChI=1S/C7H14FN3O2/c8-4- 6(10)11-3-1-2-5(9)7(12)13 /h5H,1-4,9H2,(H2,10,11)(H ,12,13)/t5-/m0/s1; VHLCDEVOVRFHAP-YFKPBYRVSA-N |
N[C@@H](CCCNC(=N)CF)C(O)=O; C(CC(C(=O)O) N)CNC(=N)CF; N[CH](CCCNC(=N)CF)C(O)=O; O =C(O)C(N)CCCNC(=[N@H])CF; [H]/N=C(\CF)/N CCC[C@@H](C(=O)O)N |
N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine |
| 20799 | FIP CHEMBL1160523 DB07773 ZINC000003606158 |
3 | C11 H13 F N O4 P | InChI=1S/C11H13FNO4P/c12- 9-3-4-11-10(6-9)8(7-13-11 )2-1-5-17-18(14,15)16/h3- 4,6-7,13H,1-2,5H2,(H2,14, 15,16); YVYGGBFCYXRNKM-UHFFFAOYSA-N |
c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O; O[P] (O)(=O)OCCCc1c[nH]c2ccc(F)cc12; Fc1cc2c( cc1)ncc2CCCOP(=O)(O)O |
5-FLUOROINDOLE PROPANOL PHOSPHATE |
| 20800 | FIQ CHEMBL5201513 ZINC000166594261 |
2 | C8 H10 N2 O2 | InChI=1S/C8H10N2O2/c1-10- 7(11)4-6(5-2-3-5)9-8(10)1 2/h4-5H,2-3H2,1H3,(H,9,12 ); SJCKLNPJUZKFGN-UHFFFAOYSA-N |
CN1C(=O)C=C(NC1=O)C2CC2; CN1C(=O)NC(=CC1 =O)C2CC2 |
6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione |