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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 24801 |  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 |
| 24802 |  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 |
| 24803 |  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 |
| 24804 |  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 |
| 24805 |  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 |
| 24806 |  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 |
| 24807 |  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 |
| 24808 |  FIR CHEMBL84060 ZINC000000005704 |
1 | 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 +/m1/s1; WAAPEIZFCHNLKK-PELKAZGASA-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; NC(=O)[C@H]1C[C@]2(NC(=O)NC 2=O)c3cc(F)ccc3O1; c1cc2c(cc1F)C3(CC(O2) C(=O)N)C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(N C(=O)NC2=O)c3cc(F)ccc3O1 |
(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE; FIDARESTAT(STEREOISOMER) |
| 24809 |  FIS CHEMBL189464 DB02101 ZINC000000002486 |
0 | 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-QPUJVOFHSA-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; NC(=O)[C@@H]1C[C@@]2(NC(=O)NC 2=O)c3cc(F)ccc3O1; c1cc2c(cc1F)C3(CC(O2) C(=O)N)C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(N C(=O)NC2=O)c3cc(F)ccc3O1 |
(2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE; FIDARESTAT(STEREOISOMER) |
| 24810 |  FIT CHEMBL710 DB01216 ZINC000003782599 |
1 | C23 H36 N2 O2 | InChI=1S/C23H36N2O2/c1-21 (2,3)25-20(27)17-8-7-15-1 4-6-9-18-23(5,13-11-19(26 )24-18)16(14)10-12-22(15, 17)4/h11,13-18H,6-10,12H2 ,1-5H3,(H,24,26)(H,25,27) /t14-,15-,16-,17+,18+,22- ,23+/m0/s1; DBEPLOCGEIEOCV-WSBQPABSSA-N |
CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC (=O)C=C[C]4(C)[CH]3CC[C]12C; O=C(NC(C)(C )C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C; CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C =CC(=O)N4)C; C[C@]12CC[C@H]3[C@H]([C@@H] 1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3 (C=CC(=O)N4)C; CC(C)(C)NC(=O)[C@H]1CC[C@ H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H] 3CC[C@]12C |
(4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide; FINASTERIDE |
| 24811 |  FIV CHEMBL114648 ZINC000000391805 |
7 | C11 H8 O2 | InChI=1S/C11H8O2/c12-11(1 3)10-6-5-8-3-1-2-4-9(8)7- 10/h1-7H,(H,12,13); UOBYKYZJUGYBDK-UHFFFAOYSA-N |
O=C(O)c2ccc1c(cccc1)c2; c1ccc2cc(ccc2c1) C(=O)O; OC(=O)c1ccc2ccccc2c1 |
naphthalene-2-carboxylic acid; 2-naphthoic acid |
| 24812 |  FIW |
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-ABXWHYIOSA-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 )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)OC2CC3(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; CC(C)C[C@H](NC(=O)OC1CC 2(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 |
(1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 24813 |  FIX ZINC000103541511 |
3 | C6 H8 O7 | InChI=1S/C6H8O7/c7-1-2(8) 3(9)4(10)5(11)6(12)13/h1, 3-5,9-11H,(H,12,13)/t3-,4 +,5+/m1/s1; VLFFNIKCNGLGIG-WISUUJSJSA-N |
C(=O)C(=O)C(C(C(C(=O)O)O)O)O; O[C@H]([C@ H](O)C(O)=O)[C@H](O)C(=O)C=O; O=C(O)C(O) C(O)C(O)C(=O)C=O; C(=O)C(=O)[C@H]([C@@H] ([C@@H](C(=O)O)O)O)O; O[CH]([CH](O)C(O)= O)[CH](O)C(=O)C=O |
D-fructuronic acid; D-Fructuronate |
| 24814 |  FIY CHEMBL5195335 ZINC000049078853 |
1 | C13 H17 N5 O S | InChI=1S/C13H17N5OS/c1-4- 8-10(7(3)19)6(2)16-11(8)9 -5-20-13(17-9)18-12(14)15 /h5,16H,4H2,1-3H3,(H4,14, 15,17,18); RMIIUQZUCWLAPV-UHFFFAOYSA-N |
CCc1c(c([nH]c1c2csc(n2)N=C(N)N)C)C(=O)C; CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 |
2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine |
| 24815 |  FIZ |
2 | C22 H25 Cl2 N5 O2 | InChI=1S/C22H25Cl2N5O2/c1 -13-19(25)22(12-31-13)7-1 0-28(11-8-22)21-26-29-9-6 -15(18(29)20(30)27(21)2)1 4-4-3-5-16(23)17(14)24/h3 -6,9,13,19H,7-8,10-12,25H 2,1-2H3/t13-,19-/m0/s1; CRDRKYXRTQUBHK-DJJJIMSYSA-N |
C[C@H]1[C@@H](C2(CCN(CC2)C3=Nn4ccc(c4C(= O)N3C)c5cccc(c5Cl)Cl)CO1)N; C[C@@H]1OCC2 (CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O )N3C)[C@H]1N; CC1C(C2(CCN(CC2)C3=Nn4ccc( c4C(=O)N3C)c5cccc(c5Cl)Cl)CO1)N; C[CH]1O CC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C (=O)N3C)[CH]1N |
2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one |
| 24816 |  FJ0 CHEMBL4783351 DB18060 |
4 | C24 H25 N7 O5 | InChI=1S/C24H25N7O5/c1-14 -10-15(2-4-25-14)23-27-18 (13-35-23)22(33)26-17-11- 19-20(28-21(17)31-5-3-16( 32)12-31)29-24(36-19)30-6 -8-34-9-7-30/h2,4,10-11,1 3,16,32H,3,5-9,12H2,1H3,( H,26,33)/t16-/m1/s1; SJHNWSAWWOAWJH-MRXNPFEDSA-N |
Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3 N5CC[CH](O)C5)N6CCOCC6; Cc1cc(ccn1)c2nc( co2)C(=O)Nc3cc4c(nc3N5CCC(C5)O)nc(o4)N6C COCC6; Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc (nc4nc3N5CC[C@@H](O)C5)N6CCOCC6; Cc1cc(c cn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C 5)O)nc(o4)N6CCOCC6 |
2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide |
| 24817 |  FJ1 ZINC000052507720 |
1 | C10 H11 F3 N2 O | InChI=1S/C10H11F3N2O/c1-9 (2)3-5-7(6(16)4-9)8(15-14 -5)10(11,12)13/h3-4H2,1-2 H3,(H,14,15); OFQAFLDKWBQAJI-UHFFFAOYSA-N |
CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C; CC 1(C)CC(=O)c2c(C1)[nH]nc2C(F)(F)F; FC(F)( F)c2nnc1c2C(=O)CC(C1)(C)C |
6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one |
| 24818 |  FJ2 CHEMBL3342581 ZINC000098208888 |
1 | C18 H15 Cl N2 O5 | InChI=1S/C18H15ClN2O5/c1- 9(22)20-18-16(10-3-5-11(2 5-2)6-4-10)17(21-26-18)12 -7-13(19)15(24)8-14(12)23 /h3-8,23-24H,1-2H3,(H,20, 22); ZPXWZHXHEMSPJU-UHFFFAOYSA-N |
CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc( cc3)OC; COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc (Cl)c(O)cc3O; Clc3c(O)cc(O)c(c1noc(c1c2c cc(OC)cc2)NC(=O)C)c3 |
N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide |
| 24819 |  FJ3 ZINC000103541527 |
1 | C12 H14 N2 O3 | InChI=1S/C12H14N2O3/c1-6( 2)7-3-8(11(16)5-10(7)15)9 -4-12(13)17-14-9/h3-6,15- 16H,13H2,1-2H3; OMMLTOZTUCUOCZ-UHFFFAOYSA-N |
CC(C)c1cc(c(cc1O)O)c2cc(on2)N; CC(C)c1cc (c(O)cc1O)c2cc(N)on2; n1oc(cc1c2c(O)cc(O )c(c2)C(C)C)N |
4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol |
| 24820 |  FJ4 ZINC000034442025 |
1 | C15 H13 Cl O4 | InChI=1S/C15H13ClO4/c1-20 -10-4-2-9(3-5-10)6-13(17) 11-7-12(16)15(19)8-14(11) 18/h2-5,7-8,18-19H,6H2,1H 3; JBCBFFFUINBPCU-UHFFFAOYSA-N |
COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1; COc1 ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl; Clc1cc(c (O)cc1O)C(=O)Cc2ccc(OC)cc2 |
1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone |
| 24821 |  FJ5 CHEMBL3342720 ZINC000098208890 |
1 | C27 H31 N3 O5 | InChI=1S/C27H31N3O5/c1-16 (2)20-13-21(23(32)14-22(2 0)31)25-24(27(35-29-25)28 -26(33)19-7-8-19)18-5-3-1 7(4-6-18)15-30-9-11-34-12 -10-30/h3-6,13-14,16,19,3 1-32H,7-12,15H2,1-2H3,(H, 28,33); HCEPAGMKRSAQJJ-UHFFFAOYSA-N |
CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3 )c4ccc(cc4)CN5CCOCC5; CC(C)c1cc(c(O)cc1O )c2noc(NC(=O)C3CC3)c2c4ccc(CN5CCOCC5)cc4 ; O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3c cc(cc3)CN4CCOCC4)C5CC5 |
N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide |
| 24822 |  FJ6 CHEMBL3342597 ZINC000098208891 |
1 | C23 H24 N2 O5 | InChI=1S/C23H24N2O5/c1-12 (2)16-10-17(19(27)11-18(1 6)26)21-20(13-6-8-15(29-3 )9-7-13)23(30-25-21)24-22 (28)14-4-5-14/h6-12,14,26 -27H,4-5H2,1-3H3,(H,24,28 ); AVNWJTBEPNSVIJ-UHFFFAOYSA-N |
O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3ccc (OC)cc3)C4CC4; CC(C)c1cc(c(cc1O)O)c2c(c( on2)NC(=O)C3CC3)c4ccc(cc4)OC; COc1ccc(cc 1)c2c(NC(=O)C3CC3)onc2c4cc(C(C)C)c(O)cc4 O |
N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide |
| 24823 |  FJ7 ZINC000057316926 |
1 | C30 H31 F N4 O3 | InChI=1S/C30H31FN4O3/c1-3 8-27-11-10-19(16-20(27)18 -34-12-14-35(15-13-34)26- 9-5-3-7-23(26)31)28-29-22 (17-25(33-28)30(36)37)21- 6-2-4-8-24(21)32-29/h2-11 ,16,25,28,32-33H,12-15,17 -18H2,1H3,(H,36,37)/t25-, 28+/m1/s1; FUHCEERDBRGPQZ-NAKRPHOHSA-N |
COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)C4c5c(c6 ccccc6[nH]5)CC(N4)C(=O)O; COc1ccc(cc1CN2 CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH] 5)C[C@@H](N4)C(=O)O; COc1ccc(cc1CN2CCN(C C2)c3ccccc3F)[C@@H]4N[C@H](Cc5c4[nH]c6cc ccc56)C(O)=O; c1cccc(c1N2CCN(CC2)Cc3c(OC )ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F; COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[CH]4N[ CH](Cc5c4[nH]c6ccccc56)C(O)=O |
(1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
| 24824 |  FJ8 |
2 | C11 H12 N6 O | InChI=1S/C11H12N6O/c1-8-2 -4-9(5-3-8)7-12-15-11(18) 6-10-13-16-17-14-10/h2-5, 7H,6H2,1H3,(H,15,18)(H,13 ,14,16,17)/b12-7+; CVRGHXWTBXFGAR-KPKJPENVSA-N |
Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2; Cc1ccc( cc1)/C=N/NC(=O)Cc2n[nH]nn2 |
~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide |
| 24825 |  FJ9 CHEMBL4789126 |
4 | C22 H19 N5 O3 | InChI=1S/C22H19N5O3/c28-2 1(19-3-1-2-17(25-19)15-6- 8-23-9-7-15)24-16-4-5-18- 20(14-16)30-22(26-18)27-1 0-12-29-13-11-27/h1-9,14H ,10-13H2,(H,24,28); PAUKYBZPOFBYCW-UHFFFAOYSA-N |
c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOC C4)c5ccncc5; O=C(Nc1ccc2nc(oc2c1)N3CCOCC 3)c4cccc(n4)c5ccncc5 |
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide |
| 24826 |  FJA |
2 | C21 H34 O4 | InChI=1S/C21H34O4/c1-11(2 )15-8-17(22)21(4)9-16-13( 10-25-5)6-7-14(16)12(3)19 (23)20(24)18(15)21/h9,11- 14,17,19-20,22-24H,6-8,10 H2,1-5H3/b16-9-/t12-,13-, 14+,17+,19-,20-,21+/m1/s1; YZZBBYUVOSVRJT-KFPAJSSTSA-N |
COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C (C[CH](O)[C]3(C)C=C12)C(C)C; O(C)CC3C2=C C1(C(=C(C(C)C)CC1O)C(O)C(O)C(C2CC3)C)C; CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)C)O) C)COC; CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O) O)C(C)C)O)C)COC; COC[C@H]1CC[C@H]\2[C@@H ](C)[C@@H](O)[C@H](O)C3=C(C[C@H](O)[C@]3 (C)\C=C1\2)C(C)C |
Fusicoccin J aglycone; (1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclop enta[a,d][8]annulene-1,4,5-triol |
| 24827 |  FJB |
1 | C14 H20 N7 O2 | InChI=1S/C14H19N7O2/c15-1 7-14(23)12(13-18-20-21-19 -13)16-11(22)9-5-4-8-10-6 -2-1-3-7-10/h1-3,6-7,12H, 4-5,8-9,15H2,(H,16,22)(H, 17,23)(H,18,19,20,21)/p+1 /t12-/m1/s1; YIHNPEJJALKKOD-GFCCVEGCSA-O |
c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[ NH3+]; c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH] nn2)C(=O)N[NH3+]; [NH3+]NC(=O)[CH](NC(=O )CCCCc1ccccc1)c2n[nH]nn2; [NH3+]NC(=O)[C @H](NC(=O)CCCCc1ccccc1)c2n[nH]nn2 |
[[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium |
| 24828 |  FJC CHEMBL4764751 |
1 | C25 H25 F N4 O4 | InChI=1S/C25H25FN4O4/c26- 18-6-3-4-15(10-18)11-21(2 4(33)28-19(14-31)12-17-8- 9-27-23(17)32)30-25(34)22 -13-16-5-1-2-7-20(16)29-2 2/h1-7,10,13-14,17,19,21, 29H,8-9,11-12H2,(H,27,32) (H,28,33)(H,30,34)/t17-,1 9-,21-/m0/s1; HCRBVFBQANEDDM-CUWPLCDZSA-N |
Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(= O)N[CH](C[CH]4CCNC4=O)C=O)c1; c1ccc2c(c1 )cc([nH]2)C(=O)NC(Cc3cccc(c3)F)C(=O)NC(C C4CCNC4=O)C=O; c1ccc2c(c1)cc([nH]2)C(=O) N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H ]4CCNC4=O)C=O; Fc1cccc(C[C@H](NC(=O)c2[n H]c3ccccc3c2)C(=O)N[C@@H](C[C@@H]4CCNC4= O)C=O)c1 |
~{N}-[(2~{S})-3-(3-fluorophenyl)-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 |
| 24829 |  FJD CHEMBL4283525 ZINC000095920597 |
1 | C22 H28 Cl N4 O3 S | InChI=1S/C22H28ClN4O3S/c1 -27(2,3)11-5-10-26-21(28) 17-13-6-4-9-25(13)19(18(1 7)22(26)29)20-24-12-14(30 -20)15-7-8-16(23)31-15/h7 -8,12-13,17-19H,4-6,9-11H 2,1-3H3/q+1/t13-,17-,18-, 19+/m0/s1; AYOZEWNCAPQIAE-ZQEOTTOMSA-N |
C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[ C@H]([C@H]2C1=O)c4oc(cn4)c5sc(Cl)cc5; C[ N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([ CH]2C1=O)c4oc(cn4)c5sc(Cl)cc5; C[N+](C)( C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4ncc(o4)c 5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=O)[C@H]2[ C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4 )c5ccc(s5)Cl |
3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM |
| 24830 |  FJE |
1 | C14 H8 Cl F2 N3 O | InChI=1S/C14H8ClF2N3O/c15 -6-3-7-8(5-20-14(7)19-4-6 )13(21)11-9(16)1-2-10(18) 12(11)17/h1-5H,18H2,(H,19 ,20); MVKWDNQCWQPTST-UHFFFAOYSA-N |
c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl )F; Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl) cc23 |
[3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone |
| 24831 |  FJF CHEMBL3144027 ZINC000004095788 |
13 | C9 H12 N2 O6 | InChI=1S/C9H12N2O6/c12-2- 4-5(13)6(14)7(17-4)3-1-10 -9(16)11-8(3)15/h1,4-7,12 -14H,2H2,(H2,10,11,15,16) /t4-,5-,6-,7+/m1/s1; PTJWIQPHWPFNBW-GBNDHIKLSA-N |
OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2 =O; C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O ; C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H] ([C@H](O2)CO)O)O; OC[C@H]1O[C@H]([C@H](O )[C@@H]1O)C2=CNC(=O)NC2=O |
5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione |
| 24832 |  FJG |
1 | C30 H36 F3 N3 O4 S | InChI=1S/C30H36F3N3O4S/c1 -16(30(31,32)33)34-25(37) 19-11-18(12-21(13-19)29(2 )8-9-29)24-23(10-17-6-4-3 -5-7-17)36-27(41-24)26(38 )35-22-14-20(15-22)28(39) 40/h11-13,16-17,20,22H,3- 10,14-15H2,1-2H3,(H,34,37 )(H,35,38)(H,39,40)/t16-, 20-,22-/m1/s1; PSFPATVFAWGHAJ-BSLALVQMSA-N |
C[C@@H](NC(=O)c1cc(cc(c1)C2(C)CC2)c3sc(n c3CC4CCCCC4)C(=O)N[C@H]5C[C@@H](C5)C(O)= O)C(F)(F)F; CC(C(F)(F)F)NC(=O)c1cc(cc(c1 )C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O )CC5CCCCC5; C[CH](NC(=O)c1cc(cc(c1)C2(C) CC2)c3sc(nc3CC4CCCCC4)C(=O)N[CH]5C[CH](C 5)C(O)=O)C(F)(F)F; C[C@H](C(F)(F)F)NC(=O )c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4C C(C4)C(=O)O)CC5CCCCC5; c2(C1(C)CC1)cc(cc (C(NC(C)C(F)(F)F)=O)c2)c4c(nc(C(NC3CC(C3 )C(O)=O)=O)s4)CC5CCCCC5 |
trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid |
| 24833 |  FJH CHEMBL4070633 |
1 | C27 H23 N3 O4 | InChI=1S/C27H23N3O4/c1-16 -3-8-21(29-26(31)20-7-10- 24-25(14-20)34-12-11-33-2 4)15-23(16)30-27(32)19-6- 9-22-18(13-19)5-4-17(2)28 -22/h3-10,13-15H,11-12H2, 1-2H3,(H,29,31)(H,30,32); RZQWMJAOUJLEAM-UHFFFAOYSA-N |
Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(= O)c4ccc5c(c4)OCCO5; Cc1ccc2cc(ccc2n1)C(= O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C |
~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide |
| 24834 |  FJI CHEMBL4095093 |
1 | C34 H31 F N4 O5 | InChI=1S/C34H31FN4O5/c35- 29-11-9-25(19-30(29)38-34 (42)22-4-2-1-3-5-22)37-26 -8-10-27-31(20-26)44-21-2 4-7-6-23(18-28(24)32(27)4 0)33(41)36-12-13-39-14-16 -43-17-15-39/h1-11,18-20, 37H,12-17,21H2,(H,36,41)( H,38,42); KZWLZLUTYGMNBM-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)O Cc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6; Fc1ccc( Nc2ccc3C(=O)c4cc(ccc4COc3c2)C(=O)NCCN5CC OCC5)cc1NC(=O)c6ccccc6 |
3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide |
| 24835 |  FJJ |
2 | C32 H52 N2 O10 | InChI=1S/C32H52N2O10/c1-2 -3-4-5-9-17-27(38)34-23(2 1-43-32-31(42)30(41)29(40 )25(20-35)44-32)28(39)24( 36)16-12-18-26(37)33-19-1 1-10-15-22-13-7-6-8-14-22 /h6-8,13-14,19,23-25,28-3 2,35-36,39-42H,2-5,9-12,1 5-18,20-21H2,1H3,(H,34,38 )/b33-19+/t23-,24+,25+,28 -,29-,30-,31+,32-/m0/s1; KBQLDQWXUVXGEJ-XHVGTUSXSA-N |
CCCCCCCC(=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)CC CC(=O)N=CCCCc2ccccc2; C(COC1OC(CO)C(O)C( C1O)O)(C(O)C(CCCC(=O)N=[C@H]CCCc2ccccc2) O)NC(CCCCCCC)=O; CCCCCCCC(=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](CCCC(=O)/N=C/CCCc2ccccc 2)O)O; CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO) O)O)O)C(C(CCCC(=O)N=CCCCc2ccccc2)O)O; CC CCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[ CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)N=CCC Cc2ccccc2 |
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
| 24836 |  FJK |
2 | C37 H41 N9 O3 | InChI=1S/C37H41N9O3/c47-3 6-28-10-7-13-31(34(28)32- 14-5-6-18-46(32)36)41-37( 48)42-33-20-24(15-16-38-3 3)22-49-23-25-21-45(44-43 -25)19-17-39-35-26-8-1-3- 11-29(26)40-30-12-4-2-9-2 7(30)35/h1,3,7-8,10-11,13 ,15-16,20-21,27,30,32,39H ,2,4-6,9,12,14,17-19,22-2 3H2,(H2,38,41,42,48)/t27? ,30?,32-/m1/s1; UJAHYENXDKLQNE-TXKQGMEVSA-N |
c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4 )CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN 8C2=O; O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC 4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O )N8CCCC[CH]8c67; c1cc2c(c(c1)NC(=O)Nc3cc (ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5 CCCC7)C8CCCCN8C2=O; O=C(Nc1cc(COCc2cn(CC NC3=C4C=CC=CC4=N[C@@H]5CCCC[C@H]35)nn2)c cn1)Nc6cccc7C(=O)N8CCCC[C@@H]8c67 |
1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea |
| 24837 |  FJL ZINC000067915227 |
1 | C36 H54 O10 | InChI=1S/C36H54O10/c1-31( 2)21-8-11-36(7)27(34(21,5 )10-9-22(31)45-29-25(40)2 3(38)24(39)26(46-29)28(41 )42)20(37)16-18-19-17-33( 4,30(43)44)13-12-32(19,3) 14-15-35(18,36)6/h16,19,2 1-27,29,38-40H,8-15,17H2, 1-7H3,(H,41,42)(H,43,44)/ t19-,21-,22-,23-,24-,25+, 26-,27+,29+,32+,33-,34-,3 5+,36+/m0/s1; HLDYLAJAWSKPFZ-QDPIGISRSA-N |
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@ ]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2) C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H ](O6)C(=O)O)O)O)O)C)(C)C(=O)O; CC1(C)[C@ H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(= O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]3 4C)C(O)=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H] (O)[C@H]6O)C(O)=O; CC1(C2CCC3(C(C2(CCC1O C4C(C(C(C(O4)C(=O)O)O)O)O)C)C(=O)C=C5C3( CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C; CC1(C)[ CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C 4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O [CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O |
(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid |
| 24838 |  FJM |
2 | C36 H62 N2 O10 | InChI=1S/C36H62N2O10/c1-2 -3-4-7-14-21-31(42)38-27( 25-47-36-35(46)34(45)33(4 4)29(24-39)48-36)32(43)28 (40)20-16-22-30(41)37-23- 15-9-6-5-8-11-17-26-18-12 -10-13-19-26/h10,12-13,18 -19,27-29,32-36,39-40,43- 46H,2-9,11,14-17,20-25H2, 1H3,(H,37,41)(H,38,42)/t2 7-,28+,29+,32-,33-,34-,35 +,36-/m0/s1; YXTGPCVEWLUAKA-JGTBCGKBSA-N |
CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O )[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCC CCCCCCc2ccccc2; CCCCCCCC(=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)CCCC(=O)NCCCCCCCCc2ccccc2; CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O) C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O)O; CCCCC CCC(=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](CCCC( =O)NCCCCCCCCc2ccccc2)O)O; C1(O)C(OC(C(C1 O)O)OCC(C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O) O)NC(=O)CCCCCCC)CO |
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
| 24839 |  FJN |
2 | C38 H45 N10 O2 | InChI=1S/C38H44N10O2/c1-4 6(23-26-24-47(45-44-26)20 -18-40-36-27-9-2-4-12-30( 27)41-31-13-5-3-10-28(31) 36)22-25-16-17-39-34(21-2 5)43-38(50)42-32-14-8-11- 29-35(32)33-15-6-7-19-48( 33)37(29)49/h2,4,8-9,11-1 2,14,16-17,21,24,28,31,33 ,40H,3,5-7,10,13,15,18-20 ,22-23H2,1H3,(H2,39,42,43 ,50)/p+1/t28?,31?,33-/m0/ s1; FYSUEOXLAVKQLL-YVNFUZJASA-O |
C[NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC [C@H]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[C@ @H]8CCCC[C@H]68)nn5; C[NH+](Cc1ccnc(c1)N C(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(n n5)CCNC6=C7C=CC=CC7=NC8C6CCCC8; C[NH+](C c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCCN4C3=O)C c5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8; C[ NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC[C H]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[CH]8C CCC[CH]68)nn5 |
[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium |
| 24840 |  FJO |
3 | C3 H8 O4 | InChI=1S/C3H8O4/c4-2-1-3( 5,6)7/h4-7H,1-2H2; VQAQNRIKRHUZBR-UHFFFAOYSA-N |
C(CO)C(O)(O)O; OCCC(O)(O)O | propane-1,1,1,3-tetrol |
| 24841 |  FJP |
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-GNESMGCMSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O; CC (C)=CCCC(\C)=C/CCC(/C)=C/CO[P](O)(O)=O; O=P(OC/C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O ; CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C; CC (=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C |
(2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate |
| 24842 |  FJQ ZINC000000897385 |
2 | C16 H13 Cl3 N2 O S | InChI=1S/C16H13Cl3N2OS/c1 7-12-1-2-13(14(18)7-12)15 (8-21-5-4-20-10-21)22-9-1 1-3-6-23-16(11)19/h1-7,10 ,15H,8-9H2/t15-/m0/s1; QXHHHPZILQDDPS-HNNXBMFYSA-N |
c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl; c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3 Cl; Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c( Cl)c1; Clc1ccc([C@H](Cn2ccnc2)OCc3ccsc3C l)c(Cl)c1 |
Tioconazole |
| 24843 |  FJR |
2 | C17 H14 N2 O3 | InChI=1S/C17H14N2O3/c1-10 -5-7-12(8-6-10)19-17(21)1 3-9-11-3-2-4-14(20)15(11) 22-16(13)18/h2-9,18,20H,1 H3,(H,19,21)/b18-16-; SKZQOFVKMNLPBF-VLGSPTGOSA-N |
Cc1ccc(cc1)NC(=O)C2=Cc3cccc(c3OC2=N)O; [ H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(c c3)C; Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N) cc1 |
2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide; 8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide |
| 24844 |  FJS ZINC000584905578 |
1 | C29 H23 N3 O5 | InChI=1S/C29H23N3O5/c1-36 -19-10-8-16(9-11-19)26-27 (32-37-29(26)31-28(35)17- 6-7-17)22-12-21(24(33)13- 25(22)34)23-15-30-14-18-4 -2-3-5-20(18)23/h2-5,8-15 ,17,33-34H,6-7H2,1H3,(H,3 1,35); MNRGCENZNLYERC-UHFFFAOYSA-N |
c1cc(ccc1OC)c2c(onc2c5cc(c3c4c(cnc3)cccc 4)c(cc5O)O)NC(C6CC6)=O; COc1ccc(cc1)c2c( noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5c ccc6; COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4 cc(c(O)cc4O)c5cncc6ccccc56 |
N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide |
| 24845 |  FJT CHEMBL5415634 ZINC000013364070 |
28 | C18 H13 Cl F N3 O4 | InChI=1S/C18H13ClFN3O4/c1 9-13-7-12(20)3-2-11(13)6- 16-22-23-18(27-16)17(24)2 1-8-10-1-4-14-15(5-10)26- 9-25-14/h1-5,7H,6,8-9H2,( H,21,24); DDGOMXRMDQDHAN-UHFFFAOYSA-N |
Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c( Cl)c1; c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc( cc4Cl)F)OCO2 |
~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide |
| 24846 |  FJU |
2 | C18 H16 N2 O3 | InChI=1S/C18H16N2O3/c1-2- 11-5-3-7-13(9-11)20-18(22 )14-10-12-6-4-8-15(21)16( 12)23-17(14)19/h3-10,19,2 1H,2H2,1H3,(H,20,22)/b19- 17-; KJSIIAIZHJYKDK-ZPHPHTNESA-N |
CCc1cccc(c1)NC(=O)C2=Cc3cccc(c3OC2=N)O; CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1; [H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc (c3)CC |
2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide; N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide |
| 24847 |  FJV CHEMBL3980115 ZINC000000779464 |
2 | C20 H25 N7 O S | InChI=1S/C20H25N7OS/c1-2- 4-14-13(3-1)15-16-17(19(2 4-25-23-16)26-7-5-21-6-8- 26)29-20(15)22-18(14)27-9 -11-28-12-10-27/h21H,1-12 H2; ZPVQONCMKZBGTB-UHFFFAOYSA-N |
C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCN CC6; C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc 2N6CCOCC6)C1; C1CCc2c(C1)c(nc3sc4c(nnnc4 c23)N5CCNCC5)N6CCOCC6 |
4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine; 5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
| 24848 |  FJW CHEMBL353759 ZINC000000587604 |
1 | C20 H17 F N6 | InChI=1S/C20H17FN6/c21-16 -6-2-1-4-13(16)11-27-20-1 4(5-3-9-23-20)17(26-27)19 -24-10-15(12-7-8-12)18(22 )25-19/h1-6,9-10,12H,7-8, 11H2,(H2,22,24,25); ATOAHNRJAXSBOR-UHFFFAOYSA-N |
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ncc(c(n4) N)C5CC5)F; Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc 4F)c5ncccc35 |
5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine; BAY 41-2272 |
| 24849 |  FJX CHEMBL4869481 |
1 | C13 H9 Br Cl N5 O3 | InChI=1S/C13H9BrClN5O3/c1 4-6-2-8-7(22-4-23-8)1-5(6 )3-20-11-9(17-13(20)21)10 (15)18-12(16)19-11/h1-2H, 3-4H2,(H,17,21)(H2,16,18, 19); JGUUSDOBVPWHAQ-UHFFFAOYSA-N |
c1c(c(cc2c1OCO2)Br)Cn3c4c(c(nc(n4)N)Cl)n c3O; Nc1nc(Cl)c2nc(O)n(Cc3cc4OCOc4cc3Br) c2n1 |
2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol |
| 24850 |  FJY CHEMBL2171920 ZINC000095552713 |
1 | C29 H29 F N4 O | InChI=1S/C29H29FN4O/c1-19 -27(20-5-4-10-31-17-20)32 -25-15-21(30)6-8-23(25)28 (19)34-18-29(2,3)24-9-7-2 2(16-26(24)34)33-11-13-35 -14-12-33/h4-10,15-17H,11 -14,18H2,1-3H3; IGGNGGDYLDZKTR-UHFFFAOYSA-N |
Cc1c(c2ccc(cc2nc1c3cccnc3)F)N4CC(c5c4cc( cc5)N6CCOCC6)(C)C; Fc6ccc2c(nc(c1cccnc1) c(c2N5c4cc(N3CCOCC3)ccc4C(C)(C)C5)C)c6; Cc1c(nc2cc(F)ccc2c1N3CC(C)(C)c4ccc(cc34) N5CCOCC5)c6cccnc6 |
4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline |
| 24851 |  FJZ CHEMBL260374 ZINC000013108134 |
1 | C15 H24 N4 S | InChI=1S/C15H24N4S/c20-15 (18-13-4-2-1-3-5-13)19-8- 6-12(7-9-19)14-10-16-11-1 7-14/h10-13H,1-9H2,(H,16, 17)(H,18,20); QKDDJDBFONZGBW-UHFFFAOYSA-N |
c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3; S= C(NC1CCCCC1)N2CCC(CC2)c3[nH]cnc3; S=C(NC 1CCCCC1)N3CCC(c2cncn2)CC3 |
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide |
| 24852 |  FK0 CHEMBL4866705 |
1 | C12 H8 Br Cl F N5 O | InChI=1S/C12H8BrClFN5O/c1 3-6-2-1-5(7(15)3-6)4-20-1 0-8(17-12(20)21)9(14)18-1 1(16)19-10/h1-3H,4H2,(H,1 7,21)(H2,16,18,19); CCUHAWKQXDIYIR-UHFFFAOYSA-N |
Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1; c 1cc(c(cc1Br)F)Cn2c3c(c(nc(n3)N)Cl)nc2O |
2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol |
| 24853 |  FK1 CHEMBL3414692 ZINC000000039643 |
2 | C8 H6 Br N | InChI=1S/C8H6BrN/c9-7-2-1 -6-3-4-10-8(6)5-7/h1-5,10 H; MAWGHOPSCKCTPA-UHFFFAOYSA-N |
c1cc(cc2c1cc[nH]2)Br; Brc1ccc2c(c1)ncc2; Brc1ccc2cc[nH]c2c1 |
6-bromo-1H-indole |
| 24854 |  FK2 ZINC000000895126 |
6 | C3 H4 O3 | InChI=1S/C3H4O3/c4-2-1-3( 5)6/h2H,1H2,(H,5,6); OAKURXIZZOAYBC-UHFFFAOYSA-N |
C(C=O)C(=O)O; OC(=O)CC=O | 3-oxidanylidenepropanoic acid |
| 24855 |  FK3 |
0 | C18 H29 N3 O4 | InChI=1S/C18H29N3O4/c1-2- 4-14(16(23)18(25)19-12-7- 8-12)20-17(24)15-13-6-3-5 -11(13)9-21(15)10-22/h10- 16,23H,2-9H2,1H3,(H,19,25 )(H,20,24)/t11-,13-,14-,1 5-,16+/m0/s1; QNPKORKCVLMDCG-VLVIQNCWSA-N |
CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[ CH](O)C(=O)NC3CC3; CCC[C@H](NC(=O)[C@@H] 1[C@H]2CCC[C@H]2CN1C=O)[C@@H](O)C(=O)NC3 CC3; CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O )[C@@H]2[C@H]3CCC[C@H]3CN2C=O; CCCC(C(C( =O)NC1CC1)O)NC(=O)C2C3CCCC3CN2C=O |
(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide |
| 24856 |  FK4 |
1 | C16 H26 N3 O7 P S | InChI=1S/C16H26N3O7PS/c1- 16(2,10-26-27(24)25)13(21 )14(22)19-7-5-12(20)18-8- 9-28-15(23)11-4-3-6-17-11 /h3-4,6,13,17,21,27H,5,7- 10H2,1-2H3,(H,18,20)(H,19 ,22)(H,24,25)/t13-/m0/s1; IYPOXHCBZKSEJQ-ZDUSSCGKSA-N |
OP(OCC(C)(C)C(O)C(NCCC(=O)NCCSC(=O)c1ccc n1)=O)=O; CC(C)(COP(=O)O)C(C(=O)NCCC(=O) NCCSC(=O)c1ccc[nH]1)O; CC(C)(COP(=O)O)[C @H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O; CC(C)(CO[PH](O)=O)[CH](O)C(=O)NCCC(=O)NC CSC(=O)c1[nH]ccc1; CC(C)(CO[PH](O)=O)[C@ @H](O)C(=O)NCCC(=O)NCCSC(=O)c1[nH]ccc1 |
S-[2-({N-[(2R)-2-hydroxy-4-{[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] 1H-pyrrole-2-carbothioate |
| 24857 |  FK5 CHEMBL269732 DB00864 ZINC000169289411 |
84 | C44 H69 N O12 | InChI=1S/C44H69NO12/c1-10 -13-31-19-25(2)18-26(3)20 -37(54-8)40-38(55-9)22-28 (5)44(52,57-40)41(49)42(5 0)45-17-12-11-14-32(45)43 (51)56-39(29(6)34(47)24-3 5(31)48)27(4)21-30-15-16- 33(46)36(23-30)53-7/h10,1 9,21,26,28-34,36-40,46-47 ,52H,1,11-18,20,22-24H2,2 -9H3/b25-19+,27-21+/t26-, 28+,29+,30-,31+,32-,33+,3 4-,36+,37-,38-,39+,40+,44 +/m0/s1; QJJXYPPXXYFBGM-LFZNUXCKSA-N |
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(= O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC 4CCC(C(C4)OC)O)C)O)C)OC)OC; CO[C@@H]1C[C @@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H ]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C [C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H]( O)[C@H]2C)C)OC)[C@H](C[C@H]4C)OC; O=C3C( =O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O)C(OC)C2) /C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC)C4OC3(O) C(C)CC4OC)C)C)C\C=C; C[C@@H]1C[C@@H]([C@ @H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3C CCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O )[C@@H](\C=C(\C1)/C)CC=C)O)C)/C(=C/[C@@H ]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC; C O[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[C H]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[C H](C)CC(=C[CH](CC=C)C(=O)C[CH](O)[CH]2C) C)OC)[CH](C[CH]4C)OC |
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN; K506 |
| 24858 |  FK8 CHEMBL2259788 ZINC000000157187 |
1 | C8 H9 N O2 | InChI=1S/C8H9NO2/c9-8(10) 11-6-7-4-2-1-3-5-7/h1-5H, 6H2,(H2,9,10); PUJDIJCNWFYVJX-UHFFFAOYSA-N |
NC(=O)OCc1ccccc1; c1ccc(cc1)COC(=O)N | (phenylmethyl) carbamate |
| 24859 |  FK9 CHEMBL3092403 ZINC000098208892 |
2 | C12 H24 O6 S | InChI=1S/C12H24O6S/c1-2-5 -19-6-3-4-17-12-11(16)10( 15)9(14)8(7-13)18-12/h8-1 6H,2-7H2,1H3/t8-,9-,10+,1 1+,12+/m1/s1; VPHBOBPNUZWASC-GCHJQGSQSA-N |
CCCSCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O )[C@@H]1O; CCCSCCCO[CH]1O[CH](CO)[CH](O) [CH](O)[CH]1O; O(CCCSCCC)C1OC(C(O)C(O)C1 O)CO; CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]( [C@H](O1)CO)O)O)O; CCCSCCCOC1C(C(C(C(O1) CO)O)O)O |
3-(propylsulfanyl)propyl alpha-D-mannopyranoside; PROPYL THIOPROPYL ALPHA-D-MANNOPYRANOSIDE; 3-(propylsulfanyl)propyl alpha-D-mannoside; 3-(propylsulfanyl)propyl D-mannoside; 3-(propylsulfanyl)propyl mannoside |
| 24860 |  FKA ZINC000263620596 |
2 | C51 H76 N2 O14 | InChI=1S/C51H76N2O14/c1-3 0-22-31(2)24-43(63-7)46-4 4(64-8)26-33(4)51(61,67-4 6)47(57)48(58)53-20-13-12 -16-38(53)49(59)66-45(32( 3)25-36-17-18-39(54)42(27 -36)62-6)34(5)40(55)28-41 (56)37(23-30)19-21-65-50( 60)52-29-35-14-10-9-11-15 -35/h9-11,14-15,23,25,31, 33-34,36-40,42-46,54-55,6 1H,12-13,16-22,24,26-29H2 ,1-8H3,(H,52,60)/b30-23+, 32-25+/t31-,33+,34+,36-,3 7+,38-,39+,40-,42+,43-,44 -,45+,46+,51+/m0/s1; JEQCTALUECDHLT-VQBDMAPKSA-N |
CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(= O)OC(C(C(CC(=O)C(C=C(C1)C)CCOC(=O)NCc4cc ccc4)O)C)C(=CC5CCC(C(C5)OC)O)C)O)C)OC)OC ; O=C3C(=O)N1CCCCC1C(=O)OC(C(=C/C2CCC(O) C(OC)C2)/C)C(C)C(O)CC(=O)C(C=C(CC(CC(OC) C4OC3(O)C(C)CC4OC)C)C)CCOC(=O)NCc5ccccc5 ; CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O )[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH]( C[CH](C)CC(=C[CH](CCOC(=O)NCc5ccccc5)C(= O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC; C O[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2 OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C @H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CCOC(= O)NCc5ccccc5)C(=O)C[C@H](O)[C@H]2C)C)OC) [C@H](C[C@H]4C)OC; C[C@@H]1C[C@@H]([C@@H ]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCC C[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[ C@@H](\C=C(\C1)/C)CCOC(=O)NCc4ccccc4)O)C )/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C) O)C)OC)OC |
BENZYL-CARBAMIC ACID [8-DEETHYL-ASCOMYCIN-8-YL]ETHYL ESTER |
| 24861 |  FKB |
2 | C14 H19 N9 O | InChI=1S/C14H19N9O/c15-7- 8(11(16)24)6-10-19-14-21- 13(20-12(17)23(14)22-10)1 8-9-4-2-1-3-5-9/h8-9H,1-6 H2,(H2,16,24)(H3,17,18,19 ,20,21,22)/t8-/m1/s1; PQPBZNWOHODPRV-MRVPVSSYSA-N |
C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)CC(C#N)C(=O )N)N; C1CCC(CC1)Nc2nc(n3c(n2)nc(n3)C[C@H ](C#N)C(=O)N)N; NC(=O)[CH](Cc1nn2c(N)nc( NC3CCCCC3)nc2n1)C#N; NC(=O)[C@H](Cc1nn2c (N)nc(NC3CCCCC3)nc2n1)C#N |
(2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide |
| 24862 |  FKC CHEMBL4776651 |
2 | C28 H48 O3 | InChI=1S/C28H48O3/c1-18(6 -11-25(29)30)22-9-10-23-2 1-8-7-20-16-19(17-26(2,3) 31)12-14-27(20,4)24(21)13 -15-28(22,23)5/h18-24,31H ,6-17H2,1-5H3,(H,29,30)/t 18-,19-,20-,21+,22-,23+,2 4+,27+,28-/m1/s1; YEJWIEPCSOSHIJ-CUYCEIPOSA-N |
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC [C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC (C)(C)O)C)C; C[CH](CCC(O)=O)[CH]1CC[CH]2 [CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C )CC(C)(C)O; CC(CCC(=O)O)C1CCC2C1(CCC3C2C CC4C3(CCC(C4)CC(C)(C)O)C)C; C[C@H](CCC(O )=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H ](CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)(C)O |
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 24863 |  FKD DB04694 ZINC000033836617 |
8 | C9 H15 F O9 | InChI=1S/C9H15FO9/c10-7-5 (15)4(14)6(3(13)2(12)1-11 )19-9(7,18)8(16)17/h2-7,1 1-15,18H,1H2,(H,16,17)/t2 -,3-,4-,5-,6+,7-,9+/m1/s1; KOWJBKIDVGQXJZ-QMFVTVPYSA-N |
C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O ; OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([ C@H](F)[C@H](O)[C@H]1O)C(O)=O; O=C(O)C1( O)OC(C(O)C(O)C1F)C(O)C(O)CO; C([C@H]([C@ H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(= O)O)O)F)O)O)O)O)O; OC[CH](O)[CH](O)[CH]1 O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O |
3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid; 3-deoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid |
| 24864 |  FKE CHEMBL4437968 |
2 | C18 H20 N2 O3 S | InChI=1S/C18H20N2O3S/c19- 24(22,23)17-8-6-16(7-9-17 )18(21)20-12-10-15(11-13- 20)14-4-2-1-3-5-14/h1-9,1 5H,10-13H2,(H2,19,22,23); JYNGEJUBPGKEKV-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCC(CC2)c3c cccc3; c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc 3)S(=O)(=O)N |
4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide |
| 24865 |  FKF CHEMBL4794075 |
1 | C28 H48 O3 | InChI=1S/C28H48O3/c1-18(6 -11-25(29)30)22-9-10-23-2 1-8-7-20-16-19(17-26(2,3) 31)12-14-27(20,4)24(21)13 -15-28(22,23)5/h18-24,31H ,6-17H2,1-5H3,(H,29,30)/t 18-,19+,20-,21+,22-,23+,2 4+,27+,28-/m1/s1; YEJWIEPCSOSHIJ-WDGWKBJASA-N |
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC [C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)C C(C)(C)O)C)C; C[CH](CCC(O)=O)[CH]1CC[CH] 2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12 C)CC(C)(C)O; CC(CCC(=O)O)C1CCC2C1(CCC3C2 CCC4C3(CCC(C4)CC(C)(C)O)C)C; C[C@H](CCC( O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H ](CC[C@]4(C)[C@H]3CC[C@]12C)CC(C)(C)O |
(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 24866 |  FKG CHEMBL4211122 |
2 | C16 H15 F3 N4 O2 | InChI=1S/C16H15F3N4O2/c1- 8(10-3-5-11(6-4-10)16(17, 18)19)23-14-13(12(7-24)22 -23)15(25)21-9(2)20-14/h3 -6,8,24H,7H2,1-2H3,(H,20, 21,25)/t8-/m0/s1; WOPONWMJGIDXSF-QMMMGPOBSA-N |
CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F) F)CO)C(=O)N1; C[C@H](n1nc(CO)c2C(=O)NC(= Nc12)C)c3ccc(cc3)C(F)(F)F; c2(nn(C(c1ccc (C(F)(F)F)cc1)C)c3c2C(=O)NC(C)=N3)CO; C[ CH](n1nc(CO)c2C(=O)NC(=Nc12)C)c3ccc(cc3) C(F)(F)F; CC1=Nc2c(c(nn2C(C)c3ccc(cc3)C( F)(F)F)CO)C(=O)N1 |
3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| 24867 |  FKH ZINC000584905582 |
4 | C19 H20 N4 O4 S | InChI=1S/C19H20N4O4S/c1-1 3-7-6-8-14(11-13)12-23-17 (20)16(18(24)21-19(23)25) 22(2)28(26,27)15-9-4-3-5- 10-15/h3-11H,12,20H2,1-2H 3,(H,21,24,25); RDABNCDTRJGKTF-UHFFFAOYSA-N |
Cc1cccc(c1)CN2C(=C(C(=O)NC2=O)N(C)S(=O)( =O)c3ccccc3)N; CN(C1=C(N)N(Cc2cccc(C)c2) C(=O)NC1=O)[S](=O)(=O)c3ccccc3 |
N-(6-AMINO-1-(3-METHYLBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYLBENZENESULFONAMIDE |
| 24868 |  FKI ZINC000006360487 |
0 | C5 H7 F2 N O3 | InChI=1S/C5H7F2NO3/c6-3(7 )1-2(8)4(9)5(10)11/h2-3H, 1,8H2,(H,10,11)/t2-/m0/s1; SIDURDZMYAFRSX-REOHCLBHSA-N |
C([C@@H](C(=O)C(=O)O)N)C(F)F; O=C(C(=O)O )C(N)CC(F)F; N[C@@H](CC(F)F)C(=O)C(O)=O; C(C(C(=O)C(=O)O)N)C(F)F; N[CH](CC(F)F)C (=O)C(O)=O |
5,5-DI-FLUORO-2-KETO-3-AMINOPENTANOIC ACID |
| 24869 |  FKJ CHEMBL4205666 |
2 | C15 H13 F3 N4 O3 | InChI=1S/C15H13F3N4O3/c1- 7(8-2-4-9(5-3-8)15(16,17) 18)22-12-11(10(6-23)21-22 )13(24)20-14(25)19-12/h2- 5,7,23H,6H2,1H3,(H2,19,20 ,24,25)/t7-/m0/s1; JEDQNPRRXOGFJA-ZETCQYMHSA-N |
c2(nn(C(c1ccc(C(F)(F)F)cc1)C)c3c2C(=O)NC (N3)=O)CO; C[CH](n1nc(CO)c2C(=O)NC(=O)Nc 12)c3ccc(cc3)C(F)(F)F; CC(c1ccc(cc1)C(F) (F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3; C[C@H] (n1nc(CO)c2C(=O)NC(=O)Nc12)c3ccc(cc3)C(F )(F)F; C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c( c(n2)CO)C(=O)NC(=O)N3 |
3-(hydroxymethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
| 24870 |  FKK CHEMBL4453778 |
2 | C18 H20 F N3 O3 S | InChI=1S/C18H20FN3O3S/c19 -16-5-1-14(2-6-16)13-21-9 -11-22(12-10-21)18(23)15- 3-7-17(8-4-15)26(20,24)25 /h1-8H,9-13H2,(H2,20,24,2 5); XFZDOSQYWUGODS-UHFFFAOYSA-N |
c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O) (=O)N)F; N[S](=O)(=O)c1ccc(cc1)C(=O)N2CC N(CC2)Cc3ccc(F)cc3 |
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide |
| 24871 |  FKL CHEMBL1232751 ZINC000058632370 |
1 | C24 H27 N5 O3 | InChI=1S/C24H27N5O3/c1-14 -3-4-15(22(30)26-17-5-6-1 7)11-19(14)20-12-16-13-25 -24(27-18-7-9-32-10-8-18) 28-21(16)29(2)23(20)31/h3 -4,11-13,17-18H,5-10H2,1- 2H3,(H,26,30)(H,25,27,28); HYTAHRCKAXESOF-UHFFFAOYSA-N |
Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)NC4CCOCC 4)C(=O)NC5CC5; CN1C(=O)C(=Cc2cnc(NC3CCOC C3)nc12)c4cc(ccc4C)C(=O)NC5CC5; O=C(NC1C C1)c2cc(c(cc2)C)C=4C(=O)N(c3nc(ncc3C=4)N C5CCOCC5)C |
N-cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-2H-pyran-4-ylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]benzamide |
| 24872 |  FKM CHEMBL3659894 ZINC000116099733 |
1 | C21 H29 N3 O6 S | InChI=1S/C21H29N3O6S/c1-1 6(17-6-4-9-19(14-17)30-18 -7-2-3-8-18)23-31(27,28)1 3-5-12-29-15-24-11-10-20( 25)22-21(24)26/h4,6,9-11, 14,16,18,23H,2-3,5,7-8,12 -13,15H2,1H3,(H,22,25,26) /t16-/m1/s1; AMCGLRWKUQPNKD-MRXNPFEDSA-N |
CC(c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C =CC(=O)NC3=O; C[C@H](c1cccc(c1)OC2CCCC2) NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O; C[C@@H]( N[S](=O)(=O)CCCOCN1C=CC(=O)NC1=O)c2cccc( OC3CCCC3)c2; C[CH](N[S](=O)(=O)CCCOCN1C= CC(=O)NC1=O)c2cccc(OC3CCCC3)c2 |
N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide |
| 24873 |  FKN ZINC000034891899 |
1 | C18 H11 Cl F2 N4 O3 S | InChI=1S/C18H11ClF2N4O3S/ c1-29(26,27)10-3-4-13(19) 11(7-10)16-12-8-22-18(23- 17(12)25-24-16)28-15-5-2- 9(20)6-14(15)21/h2-8H,1H3 ,(H,22,23,24,25); UZKJZUHMKHFCAD-UHFFFAOYSA-N |
C[S](=O)(=O)c1ccc(Cl)c(c1)c2n[nH]c3nc(Oc 4ccc(F)cc4F)ncc23; O=S(=O)(c4cc(c2nnc1nc (ncc12)Oc3ccc(F)cc3F)c(Cl)cc4)C; CS(=O)( =O)c1ccc(c(c1)c2c3cnc(nc3[nH]n2)Oc4ccc(c c4F)F)Cl |
3-[2-chloro-5-(methylsulfonyl)phenyl]-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidine |
| 24874 |  FKO ZINC000036423067 |
1 | C19 H12 Cl F N2 O | InChI=1S/C19H12ClFN2O/c20 -15-6-2-1-5-13(15)19-14-1 0-9-12(11-17(14)22-23-19) 24-18-8-4-3-7-16(18)21/h1 -11H,(H,22,23); QDPZIIDGFJHLRY-UHFFFAOYSA-N |
c1ccc(c(c1)c2c3ccc(cc3n[nH]2)Oc4ccccc4F) Cl; Fc4ccccc4Oc3ccc1c(nnc1c2ccccc2Cl)c3; Fc1ccccc1Oc2ccc3c([nH]nc3c2)c4ccccc4Cl |
3-(2-chlorophenyl)-6-(2-fluorophenoxy)-2H-indazole |
| 24875 |  FKP ZINC000058631693 |
7 | C30 H50 N2 O7 | InChI=1S/C30H50N2O7/c1-8- 27(4)19-21(34)30(37)28(5) 20(33)12-13-26(2,3)24(28) 23(36)25(29(30,6)39-27)38 -22(35)11-9-10-14-32-17-1 5-31(7)16-18-32/h8,20,23- 25,33,36-37H,1,9-19H2,2-7 H3/t20-,23-,24-,25-,27-,2 8-,29+,30-/m0/s1; UNNWBVSRDSMIDQ-QAMJDCALSA-N |
O=C3CC(OC4(C(OC(=O)CCCCN1CCN(C)CC1)C(O)C 2C(CCC(O)C2(C)C34O)(C)C)C)(\C=C)C; CC1(C C[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3 ([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)C CCCN4CCN(CC4)C)O)C)O)C; CN1CCN(CCCCC(=O) O[C@H]2[C@@H](O)[C@H]3C(C)(C)CC[C@H](O)[ C@]3(C)[C@@]4(O)C(=O)C[C@@](C)(O[C@]24C) C=C)CC1; CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC( O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C) O)C; CN1CCN(CCCCC(=O)O[CH]2[CH](O)[CH]3C (C)(C)CC[CH](O)[C]3(C)[C]4(O)C(=O)C[C](C )(O[C]24C)C=C)CC1 |
METHYLPIPERAZINOFORSKOLIN |
| 24876 |  FKQ CHEMBL4547604 |
2 | C18 H20 N2 O4 S | InChI=1S/C18H20N2O4S/c19- 25(23,24)16-8-6-14(7-9-16 )17(21)20-12-10-18(22,11- 13-20)15-4-2-1-3-5-15/h1- 9,22H,10-13H2,(H2,19,23,2 4); XEMCUUOBNNOBLG-UHFFFAOYSA-N |
c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O )(=O)N)O; N[S](=O)(=O)c1ccc(cc1)C(=O)N2C CC(O)(CC2)c3ccccc3 |
4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide |
| 24877 |  FKR CHEMBL4764566 |
1 | C18 H14 F N3 O4 | InChI=1S/C18H14FN3O4/c1-2 0-14-8-11(19)6-10-7-13(17 (24)22-15(10)14)16(23)21- 12-4-2-9(3-5-12)18(25)26/ h2-8,20H,1H3,(H,21,23)(H, 22,24)(H,25,26); DFAPUBLMKMWKJW-UHFFFAOYSA-N |
CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3) C(=O)O)F; CNc1cc(F)cc2C=C(C(=O)Nc3ccc(cc 3)C(O)=O)C(=O)Nc12 |
4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
| 24878 |  FKS ZINC000263620577 |
8 | C10 H21 F3 N2 O2 | InChI=1S/C10H21F3N2O2/c11 -10(12,13)9(16,17)5-2-1-3 -7-15-8-4-6-14/h15-17H,1- 8,14H2; IVRAKANOVJJYCX-UHFFFAOYSA-N |
C(CCC(C(F)(F)F)(O)O)CCNCCCN; NCCCNCCCCCC (O)(O)C(F)(F)F; C(N)CCNCCCCCC(C(F)(F)F)( O)O |
7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol |
| 24879 |  FKT CHEMBL5195469 |
1 | C35 H33 F3 N8 O3 | InChI=1S/C35H33F3N8O3/c1- 22-20-45(21-41-22)28-16-2 5(35(36,37)38)15-26(17-28 )42-34(48)30-18-29-14-24( 23(30)2)7-8-27-19-40-31-9 -10-32(43-46(27)31)44(3)1 2-11-39-33(47)6-4-5-13-49 -29/h9-10,14-21H,4-6,11-1 3H2,1-3H3,(H,39,47)(H,42, 48); BGQOUQWQPRPBKN-UHFFFAOYSA-N |
CN1CCNC(=O)CCCCOc2cc(C#Cc3cnc4C=CC1=Nn34 )c(C)c(c2)C(=O)Nc5cc(cc(c5)C(F)(F)F)n6cn c(C)c6; Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4 cc(c3C)C#Cc5cnc6n5nc(cc6)N(CCNC(=O)CCCCO 4)C)C(F)(F)F |
4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide |
| 24880 |  FKU CHEMBL4804007 |
1 | C21 H22 F N5 O4 | InChI=1S/C21H22FN5O4/c1-2 4-15-10-12(22)9-14-17(15) 27-20(29)16(18(14)25-8-2- 7-23)19(28)26-13-5-3-11(4 -6-13)21(30)31/h3-6,9-10, 24H,2,7-8,23H2,1H3,(H,26, 28)(H,30,31)(H2,25,27,29); RNUUNKSRXQMFEG-UHFFFAOYSA-N |
CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc (cc3)C(=O)O)F; CNc1cc(F)cc2c1NC(=O)C(=C2 NCCCN)C(=O)Nc3ccc(cc3)C(O)=O |
4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid |
| 24881 |  FKV CHEMBL4217892 |
2 | C16 H12 F6 N4 O2 | InChI=1S/C16H12F6N4O2/c1- 7(8-2-4-9(5-3-8)16(20,21) 22)26-12-11(13(27)24-14(2 8)23-12)10(25-26)6-15(17, 18)19/h2-5,7H,6H2,1H3,(H2 ,23,24,27,28)/t7-/m0/s1; OQMRFLKHFNZIRH-ZETCQYMHSA-N |
C[CH](n1nc(CC(F)(F)F)c2C(=O)NC(=O)Nc12)c 3ccc(cc3)C(F)(F)F; c2(nn(C(c1ccc(C(F)(F) F)cc1)C)c3c2C(=O)NC(N3)=O)CC(F)(F)F; CC( c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F) C(=O)NC(=O)N3; C[C@@H](c1ccc(cc1)C(F)(F) F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3; C[ C@H](n1nc(CC(F)(F)F)c2C(=O)NC(=O)Nc12)c3 ccc(cc3)C(F)(F)F |
3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione |
| 24882 |  FKW |
1 | C17 H14 N4 O4 | InChI=1S/C17H14N4O4/c22-1 6-7-11(5-6-15(16)21(24)25 )9-19-20-17(23)8-12-10-18 -14-4-2-1-3-13(12)14/h1-7 ,9-10,18,22H,8H2,(H,20,23 )/b19-9+; BTUGCKBHIRLBIC-DJKKODMXSA-N |
Oc1cc(ccc1[N+]([O-])=O)C=NNC(=O)Cc2c[nH] c3ccccc23; c1ccc2c(c1)c(c[nH]2)CC(=O)N/N =C/c3ccc(c(c3)O)[N+](=O)[O-]; c1ccc2c(c1 )c(c[nH]2)CC(=O)NN=Cc3ccc(c(c3)O)[N+](=O )[O-]; Oc1cc(ccc1[N+]([O-])=O)/C=N/NC(=O )Cc2c[nH]c3ccccc23 |
2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide |
| 24883 |  FKX CHEMBL5423813 |
4 | C12 H14 N2 O3 | InChI=1S/C12H14N2O3/c1-7( 2)6-14-10-5-8(11(15)16)3- 4-9(10)13-12(14)17/h3-5,7 H,6H2,1-2H3,(H,13,17)(H,1 5,16); LBPMNHWGWCEKQH-UHFFFAOYSA-N |
CC(C)CN1C(=O)Nc2ccc(cc12)C(O)=O; CC(C)CN 1c2cc(ccc2NC1=O)C(=O)O; O=C(O)c1ccc2NC(= O)N(CC(C)C)c2c1 |
3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
| 24884 |  FKY CHEMBL4210892 ZINC000526061589 |
2 | C24 H23 F4 N5 O4 | InChI=1S/C24H23F4N5O4/c1- 32-12-19(31-13-32)15-9-17 (22(29)35)23(30-10-15)36- 20-6-7-33(11-18(20)25)21( 34)8-14-2-4-16(5-3-14)37- 24(26,27)28/h2-5,9-10,12- 13,18,20H,6-8,11H2,1H3,(H 2,29,35)/t18-,20+/m1/s1; XJIIVPVOGYFVME-QUCCMNQESA-N |
Cn1cnc(c1)c2cnc(O[CH]3CCN(C[CH]3F)C(=O)C c4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O; Cn1cc(n c1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)C c4ccc(cc4)OC(F)(F)F)C(=O)N; c1n(C)cnc1c2 cc(c(nc2)OC4C(CN(C(=O)Cc3ccc(OC(F)(F)F)c c3)CC4)F)C(=O)N; Cn1cc(nc1)c2cc(c(nc2)OC 3CCN(CC3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O )N; Cn1cnc(c1)c2cnc(O[C@H]3CCN(C[C@H]3F) C(=O)Cc4ccc(OC(F)(F)F)cc4)c(c2)C(N)=O |
2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide |
| 24885 |  FKZ CHEMBL1160509 ZINC000001529275 |
0 | C8 H19 N | InChI=1S/C8H19N/c1-2-3-4- 5-6-7-8-9/h2-9H2,1H3; IOQPZZOEVPZRBK-UHFFFAOYSA-N |
CCCCCCCCN | octan-1-amine |
| 24886 |  FL0 CHEMBL102953 ZINC000000331704 |
16 | C8 H7 Br O | InChI=1S/C8H7BrO/c9-6-8(1 0)7-4-2-1-3-5-7/h1-5H,6H2; LIGACIXOYTUXAW-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)CBr; BrCC(=O)c1ccccc1 | 2-bromanyl-1-phenyl-ethanone |
| 24887 |  FL1 CHEMBL1232755 ZINC000102389797 |
1 | C29 H23 N3 O7 S2 | InChI=1S/C29H23N3O7S2/c30 -41(37,38)20-6-1-16(2-7-2 0)11-12-31-29(40)32-17-3- 8-21(24(13-17)28(35)36)27 -22-9-4-18(33)14-25(22)39 -26-15-19(34)5-10-23(26)2 7/h1-10,13-15,33H,11-12H2 ,(H,35,36)(H2,30,37,38)(H 2,31,32,40); ZXJGFVGTIKDQMI-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)CCNC(=S)Nc5ccc(C=2c4 c(OC=3C=2C=CC(=O)C=3)cc(O)cc4)c(C(=O)O)c 5; N[S](=O)(=O)c1ccc(CCNC(=S)Nc2ccc(c(c2 )C(O)=O)C3=C4C=CC(=O)C=C4Oc5cc(O)ccc35)c c1; c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O) C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O) N |
5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID; (4-SULFAMOYLPHENYLETHYLTHIOUREIDO)FLUORESCEIN |
| 24888 |  FL2 DB03753 ZINC000003581273 |
2 | C16 H15 F O2 | InChI=1S/C16H15FO2/c1-11( 16(18)19-2)13-8-9-14(15(1 7)10-13)12-6-4-3-5-7-12/h 3-11H,1-2H3/t11-/m0/s1; CPJBKHZROFMSQM-NSHDSACASA-N |
Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C; CC(c1ccc (c(c1)F)c2ccccc2)C(=O)OC; COC(=O)[CH](C) c1ccc(c(F)c1)c2ccccc2; COC(=O)[C@@H](C)c 1ccc(c(F)c1)c2ccccc2; C[C@@H](c1ccc(c(c1 )F)c2ccccc2)C(=O)OC |
FLURBIPROFEN METHYL ESTER |
| 24889 |  FL3 CHEMBL3183700 ZINC000000967335 |
39 | C12 H10 O | InChI=1S/C12H10O/c1-9(13) 11-7-6-10-4-2-3-5-12(10)8 -11/h2-8H,1H3; XSAYZAUNJMRRIR-UHFFFAOYSA-N |
CC(=O)c1ccc2ccccc2c1 | 1-naphthalen-2-ylethanone |
| 24890 |  FL4 ZINC000058633489 |
1 | C18 H12 F2 N4 O | InChI=1S/C18H12F2N4O/c1-1 0-4-2-3-5-12(10)16-13-9-2 1-18(22-17(13)24-23-16)25 -15-7-6-11(19)8-14(15)20/ h2-9H,1H3,(H,21,22,23,24); MWRHZZFHXSJLGY-UHFFFAOYSA-N |
Fc4ccc(Oc1ncc2c(n1)nnc2c3ccccc3C)c(F)c4; Cc1ccccc1c2c3cnc(nc3[nH]n2)Oc4ccc(cc4F) F; Cc1ccccc1c2n[nH]c3nc(Oc4ccc(F)cc4F)nc c23 |
6-(2,4-difluorophenoxy)-3-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine |
| 24891 |  FL5 |
2 | C25 H31 N8 | InChI=1S/C25H31N8/c1-8-31 -24-20-14-16(30(3)4)10-12 -18(20)22-25(32(9-2)29-26 -22)21-15-17(33(5,6)7)11- 13-19(21)23(24)27-28-31/h 10-15H,8-9H2,1-7H3/q+1/b2 2-18+,23-19+,24-20+,25-21 +; QOPAGBBAMAJINO-MOBSCGTJSA-N |
CCn1c-2c(nn1)-c3ccc(cc3-c4c(nnn4CC)-c5c2 cc(cc5)N(C)C)[N+](C)(C)C; CCn1nnc2c3ccc( cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C) (C)C |
12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium |
| 24892 |  FL6 ZINC000001708458 |
0 | C5 H9 N O4 | InChI=1S/C5H9NO4/c1-10-4( 7)2-3(6)5(8)9/h3H,2,6H2,1 H3,(H,8,9)/t3-/m0/s1; SBRYFUVVWOMLLP-VKHMYHEASA-N |
COC(=O)C[CH](N)C(O)=O; COC(=O)C[C@H](N)C (O)=O; COC(=O)CC(C(=O)O)N; COC(=O)C[C@@H ](C(=O)O)N |
(2S)-2-azanyl-4-methoxy-4-oxidanylidene-butanoic acid |
| 24893 |  FL7 CHEMBL968 DB00690 ZINC000000537752 |
2 | C21 H23 Cl F N3 O | InChI=1S/C21H23ClFN3O/c1- 3-25(4-2)11-12-26-19-10-9 -15(22)13-17(19)21(24-14- 20(26)27)16-7-5-6-8-18(16 )23/h5-10,13H,3-4,11-12,1 4H2,1-2H3; SAADBVWGJQAEFS-UHFFFAOYSA-N |
CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(Cl)c cc13; CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3cc ccc3F)Cl; Fc3ccccc3C2=NCC(=O)N(c1ccc(Cl) cc12)CCN(CC)CC |
Flurazepam |
| 24894 |  FL8 DB01838 |
4 | C16 H10 Br2 O4 | InChI=1S/C16H10Br2O4/c1-7 -14(20)10-6-9(19)2-3-13(1 0)22-16(7)8-4-11(17)15(21 )12(18)5-8/h2-6,19,21H,1H 3; GKDYOXMZSXVKPP-UHFFFAOYSA-N |
CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O) Br; CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c (Br)c3; Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C) cc(Br)c3O |
6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE |
| 24895 |  FL9 DB07775 |
2 | C15 H8 Br2 O6 | InChI=1S/C15H8Br2O6/c16-7 -1-5(13(20)12(17)14(7)21) 2-10-15(22)11-8(19)3-6(18 )4-9(11)23-10/h1-4,18-21H /b10-2-; BRPKBUNFOZFULQ-SGAXSIHGSA-N |
Oc1cc(O)c2C(=O)C(Oc2c1)=Cc3cc(Br)c(O)c(B r)c3O; Brc1cc(c(O)c(Br)c1O)\C=C3/Oc2cc(O )cc(O)c2C3=O; c1c(cc2c(c1O)C(=O)C(=Cc3cc (c(c(c3O)Br)O)Br)O2)O; Oc1cc(O)c2C(=O)\C (Oc2c1)=C\c3cc(Br)c(O)c(Br)c3O |
3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE |
| 24896 |  FLA DB03794 ZINC000002047325 |
1 | C3 H4 F3 N O2 | InChI=1S/C3H4F3NO2/c4-3(5 ,6)1(7)2(8)9/h1H,7H2,(H,8 ,9)/t1-/m0/s1; HMJQKIDUCWWIBW-SFOWXEAESA-N |
FC(F)(F)C(N)C(=O)O; N[C@@H](C(O)=O)C(F)( F)F; C(C(=O)O)(C(F)(F)F)N; N[CH](C(O)=O) C(F)(F)F; [C@H](C(=O)O)(C(F)(F)F)N |
TRIFLUOROALANINE |
| 24897 |  FLB |
6 | C12 H12 F6 O2 | InChI=1S/C12H12F6O2/c1-2- 19-3-4-20-10-6-8(11(13,14 )15)5-9(7-10)12(16,17)18/ h5-7H,2-4H2,1H3; GWAJLKXPMOKZEL-UHFFFAOYSA-N |
CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F; FC(F )(F)c1cc(OCCOCC)cc(c1)C(F)(F)F |
1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene |
| 24898 |  FLC |
245 | C6 H5 O7 | InChI=1S/C6H8O7/c7-3(8)1- 6(13,5(11)12)2-4(9)10/h13 H,1-2H2,(H,7,8)(H,9,10)(H ,11,12)/p-3; KRKNYBCHXYNGOX-UHFFFAOYSA-K |
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O; C(C (=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O; O=C( [O-])CC(O)(C([O-])=O)CC(=O)[O-] |
CITRATE ANION |
| 24899 |  FLD |
0 | C42 H48 N6 O2 | InChI=1S/C42H44N6O2/c1-49 -31-9-13-37-33(25-31)41-3 5-27-47(21-15-29(35)7-11- 39(41)45-37)23-19-43-17-5 -3-4-6-18-44-20-24-48-22- 16-30-8-12-40-42(36(30)28 -48)34-26-32(50-2)10-14-3 8(34)46-40/h7-16,21-22,25 -28,43-44H,3-6,17-20,23-2 4H2,1-2H3/p+4; VJZICIMRPZDSEJ-UHFFFAOYSA-R |
COc1ccc2[nH]c3ccc4cc[n+](CC[NH2+]CCCCCC[ NH2+]CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6 c5)cc4c3c2c1; O(c3cc4c2c1c[n+](ccc1ccc2n c4cc3)CC[NH2+]CCCCCC[NH2+]CC[n+]5cc8c(cc 5)ccc7c8c6c(ccc(OC)c6)n7)C; COc1ccc2c(c1 )c3c([nH]2)ccc4c3c[n+](cc4)CC[NH2+]CCCCC C[NH2+]CC[n+]5ccc6ccc7c(c6c5)c8cc(ccc8[n H]7)OC |
BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE; FLEXI-DI |
| 24900 |  FLE DB02215 ZINC000000260476 |
2 | C11 H15 N O4 | InChI=1S/C11H15NO4/c1-7(2 )6-8(11(14)15)12-10(13)9- 4-3-5-16-9/h3-5,7-8H,6H2, 1-2H3,(H,12,13)(H,14,15)/ t8-/m0/s1; LXBURZIESWDWIV-QMMMGPOBSA-N |
CC(C)C[C@@H](C(=O)O)NC(=O)c1ccco1; CC(C) C[CH](NC(=O)c1occc1)C(O)=O; CC(C)C[C@H]( NC(=O)c1occc1)C(O)=O; O=C(NC(C(=O)O)CC(C )C)c1occc1; CC(C)CC(C(=O)O)NC(=O)c1ccco1 |
FUROYL-LEUCINE |
| 24901 |  FLF CHEMBL23588 DB02266 ZINC000000086535 |
19 | C14 H10 F3 N O2 | InChI=1S/C14H10F3NO2/c15- 14(16,17)9-4-3-5-10(8-9)1 8-12-7-2-1-6-11(12)13(19) 20/h1-8,18H,(H,19,20); LPEPZBJOKDYZAD-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F; O C(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F; FC(F)( F)c1cc(ccc1)Nc2ccccc2C(=O)O |
2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID; FLUFENAMIC ACID |
| 24902 |  FLG DB02455 ZINC000058631695 |
1 | C23 H18 N2 O5 S | InChI=1S/C23H18N2O5S/c1-2 -24-23(31)25-12-3-6-15(18 (9-12)22(28)29)21-16-7-4- 13(26)10-19(16)30-20-11-1 4(27)5-8-17(20)21/h3-11,2 6H,2H2,1H3,(H,28,29)(H2,2 4,25,31); VHJFQSRUDVDTEO-UHFFFAOYSA-N |
CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O) C=C3Oc4c2ccc(c4)O; CCNC(=S)Nc1ccc(c(c1)C (O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24; S= C(NCC)Nc4ccc(C=1c3c(OC=2C=1C=CC(=O)C=2)c c(O)cc3)c(C(=O)O)c4 |
FLUORESCEINYLTHIOUREIDO |
| 24903 |  FLH CHEMBL1255 DB03843 |
0 | C H2 O | InChI=1/CH2O/c1-2/h1H2; WSFSSNUMVMOOMR-UHFFFAOYAT |
O=C; C=O | FORMALDEHYDE; METHANAL; OXOMETHANE; OXYMETHYLENE; METHYLENE OXIDE; FORMIC ALDEHYDE; METHYL ALDEHYDE |
| 24904 |  FLI ZINC000098208893 |
1 | C35 H58 O9 | InChI=1S/C35H58O9/c1-4-5- 6-15-18-32-34(42)24-31(40 )22-29(38)20-27(36)19-28( 37)21-30(39)23-33(41)25(2 )16-13-11-9-7-8-10-12-14- 17-26(3)44-35(32)43/h7-14 ,16,26-34,36-42H,4-6,15,1 7-24H2,1-3H3/b9-7+,10-8+, 13-11+,14-12+,25-16+/t26- ,27+,28-,29+,30-,31+,32-, 33+,34+/m1/s1; FODXYXCKUOAJAV-XHDOTJGXSA-N |
CCCCCC[CH]1[CH](O)C[CH](O)C[CH](O)C[CH]( O)C[CH](O)C[CH](O)C[CH](O)C(=CC=CC=CC=CC =CC[CH](C)OC1=O)C; CCCCCCC1C(CC(CC(CC(CC (CC(CC(C(=CC=CC=CC=CC=CCC(OC1=O)C)C)O)O) O)O)O)O)O; CCCCCC[C@@H]1[C@@H](O)C[C@@H] (O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H] (O)C[C@H](O)\C(=C\C=C\C=C\C=C\C=C\C[C@@H ](C)OC1=O)C; CCCCCC[C@@H]1[C@H](C[C@H](C [C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C /C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O )O)O)O)O |
(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,28R)-3-hexyl-4,6,8,10,12,14,16-heptahydroxy-17,28-dimethyloxacyclooctacosa-17,19,21,23,25-pentaen-2-one; Filipin I |
| 24905 |  FLJ CHEMBL1836855 ZINC000072123421 |
1 | C21 H20 F N7 O2 | InChI=1S/C21H20FN7O2/c1-1 3-12-29-18(15-9-24-25-10- 15)11-23-20(29)19(26-13)2 7-17-3-2-14(8-16(17)22)21 (30)28-4-6-31-7-5-28/h2-3 ,8-12H,4-7H2,1H3,(H,24,25 )(H,26,27); FVUJKLFPRPTFJK-UHFFFAOYSA-N |
Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOC C4)c5c[nH]nc5; n5c(Nc1c(cc(cc1)C(N2CCOCC 2)=O)F)c4ncc(c3cnnc3)n4cc5C; Cc1cn2c(cnc 2c(Nc3ccc(cc3F)C(=O)N4CCOCC4)n1)c5c[nH]n c5 |
(3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone |
| 24906 |  FLK |
1 | C6 H12 Cl N4 O | InChI=1S/C6H11ClN4O/c7-2- 1-5(12)10-11-6-8-3-4-9-6/ h1-4H2,(H,10,12)(H2,8,9,1 1)/p+1; KIPZHINDKFZDKZ-UHFFFAOYSA-O |
C1C[NH+]=C(N1)NNC(=O)CCCl; ClCCC(=O)NNC1 =[NH+]CCN1 |
3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide |
| 24907 |  FLL |
1 | C30 H18 Cl F N5 O4 Ru | InChI=1S/C17H8FN3O3.C12H1 1N2.CO.ClH.Ru/c18-6-3-9-1 2-13(17(24)21-16(12)23)11 -8-4-7(22)1-2-10(8)20-15( 11)14(9)19-5-6;1-2-6-11(7 -3-1)14-10-12-8-4-5-9-13- 12;1-2;;/h1-5H,(H3,19,20, 21,22,23,24);1-9H,10H2;;1 H;/q;-1;;;+3/p-2; CKLLNPJPVSFCGU-UHFFFAOYSA-L |
c1ccc(cc1)N2CC3=[N]([Ru]24(N5C=C(C=C6C5= C7[N]4=C8C=CC(=CC8=C7C9=C6C(=O)NC9=O)O)F )(C#O)Cl)C=CC=C3; OC1=CC2=C3C(=C4N(C=C(F )C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6 )c7ccccc7)N=C2C=C1.[C-]#[O+] |
OCTAHEDRAL RU-PYRIDOCARBAZOLE |
| 24908 |  FLM DB01986 ZINC000000407040 |
1 | C7 H8 F N | InChI=1S/C7H8FN/c1-5-6(8) 3-2-4-7(5)9/h2-4H,9H2,1H3; SLDLVGFPFFLYBM-UHFFFAOYSA-N |
Cc1c(N)cccc1F; Cc1c(cccc1F)N; Fc1cccc(N) c1C |
3-FLUORO-2-METHYL-ANILINE |
| 24909 |  FLN CHEMBL275638 DB07776 ZINC000000057674 |
3 | C15 H10 O2 | InChI=1S/C15H10O2/c16-13- 10-15(11-6-2-1-3-7-11)17- 14-9-5-4-8-12(13)14/h1-10 H; VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
O=C1c3c(OC(=C1)c2ccccc2)cccc3; c1ccc(cc1 )C2=CC(=O)c3ccccc3O2; O=C1C=C(Oc2ccccc12 )c3ccccc3 |
2-PHENYL-4H-CHROMEN-4-ONE; FLAVONE |
| 24910 |  FLO CHEMBL1232767 DB11072 |
0 | F | InChI=1/FH/h1H; KRHYYFGTRYWZRS-UHFFFAOYAC |
[F]; F; [F-] | FLUORO GROUP |
| 24911 |  FLP CHEMBL435298 DB16159 ZINC000000000323 |
20 | C15 H13 F O2 | InChI=1S/C15H13FO2/c1-10( 15(17)18)12-7-8-13(14(16) 9-12)11-5-3-2-4-6-11/h2-1 0H,1H3,(H,17,18)/t10-/m0/ s1; SYTBZMRGLBWNTM-JTQLQIEISA-N |
C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O; C[ C@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2; C[CH] (C(O)=O)c1ccc(c(F)c1)c2ccccc2; CC(c1ccc( c(c1)F)c2ccccc2)C(=O)O; Fc2cc(ccc2c1cccc c1)C(C(=O)O)C |
FLURBIPROFEN |
| 24912 |  FLQ ZINC000058661154 |
1 | C29 H28 N2 O7 | InChI=1S/C29H28N2O7/c1-17 (32)30-12-4-2-3-5-13-31-2 7(35)18-6-9-21-24(14-18)2 9(38-28(21)36)22-10-7-19( 33)15-25(22)37-26-16-20(3 4)8-11-23(26)29/h6-11,14- 16,33-34H,2-5,12-13H2,1H3 ,(H,30,32)(H,31,35); NYDPRVGMTFCAQC-UHFFFAOYSA-N |
CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(c c4Oc5c3ccc(c5)O)O)OC2=O; CC(=O)NCCCCCCNC (=O)c1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)cc c35)c2c1; O=C(NCCCCCCNC(=O)c5cc1c(C(=O)O C13c4ccc(O)cc4Oc2cc(O)ccc23)cc5)C |
N-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE; FLUORESCEIN ADDUCT |
| 24913 |  FLR CHEMBL190083 DB05289 ZINC000000008667 |
7 | C15 H13 F O2 | InChI=1S/C15H13FO2/c1-10( 15(17)18)12-7-8-13(14(16) 9-12)11-5-3-2-4-6-11/h2-1 0H,1H3,(H,17,18)/t10-/m1/ s1; SYTBZMRGLBWNTM-SNVBAGLBSA-N |
C[C@@H](C(O)=O)c1ccc(c(F)c1)c2ccccc2; C[ CH](C(O)=O)c1ccc(c(F)c1)c2ccccc2; CC(c1c cc(c(c1)F)c2ccccc2)C(=O)O; C[C@H](c1ccc( c(c1)F)c2ccccc2)C(=O)O |
(2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid; Flurbirprofen, R-form |
| 24914 |  FLS CHEMBL1232769 ZINC000058633497 |
1 | C18 H18 F2 N4 O4 S | InChI=1S/C18H18F2N4O4S/c1 -10(9-29(3,26)27)22-18-21 -8-11-6-15(17(25)24(2)16( 11)23-18)28-14-5-4-12(19) 7-13(14)20/h4-8,10H,9H2,1 -3H3,(H,21,22,23)/t10-/m1 /s1; DVEYHFXOGUYFBU-SNVBAGLBSA-N |
CC(CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2) Oc3ccc(cc3F)F)C; O=S(=O)(C)CC(Nc1ncc3c(n 1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C; C[C@H] (CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc 3ccc(cc3F)F)C; C[CH](C[S](C)(=O)=O)Nc1nc c2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1; C[C@H ](C[S](C)(=O)=O)Nc1ncc2C=C(Oc3ccc(F)cc3F )C(=O)N(C)c2n1 |
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
| 24915 |  FLT CHEMBL431555 ZINC000008378982 |
0 | C12 H12 F N O7 | InChI=1S/C12H12FNO7/c13-1 2(10(17)18,11(19)20)21-7- 3-1-6(2-4-7)5-8(14)9(15)1 6/h1-4,8H,5,14H2,(H,15,16 )(H,17,18)(H,19,20)/t8-/m 0/s1; AXIAXCQZCZMCQW-QMMMGPOBSA-N |
N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C (O)=O; c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O )O)(C(=O)O)F; N[CH](Cc1ccc(OC(F)(C(O)=O) C(O)=O)cc1)C(O)=O; c1cc(ccc1CC(C(=O)O)N) OC(C(=O)O)(C(=O)O)F; FC(Oc1ccc(cc1)CC(C( =O)O)N)(C(=O)O)C(=O)O |
FLUOROMALONYL TYROSINE |
| 24916 |  FLU CHEMBL177756 ZINC000003872582 |
26 | C20 H12 O5 | InChI=1S/C20H12O5/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- 10,21H,(H,23,24); YKGGGCXBWXHKIZ-UHFFFAOYSA-N |
O=C(O)c4ccccc4C=1c3c(OC=2C=1C=CC(=O)C=2) cc(O)cc3; OC(=O)c1ccccc1C2=C3C=CC(=O)C=C 3Oc4cc(O)ccc24; c1ccc(c(c1)C2=C3C=CC(=O) C=C3Oc4c2ccc(c4)O)C(=O)O |
2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-BENZOIC ACID; FLUORESCEIN |
| 24917 |  FLV CHEMBL1232770 DB02521 |
13 | C10 H6 O5 | InChI=1S/C10H6O5/c11-4-1- 5-9(6(12)2-4)7(13)3-8(14) 10(5)15/h1-3,11-12,14H; RROPNRTUMVVUED-UHFFFAOYSA-N |
Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1; O=C2c1c( O)cc(O)cc1C(=O)C(O)=C2; c1c(cc(c2c1C(=O) C(=CC2=O)O)O)O |
FLAVIOLIN; 2,5,7-TRIHYDROXYNAPHTHOQUINONE |
| 24918 |  FLW CHEMBL1090089 DB19169 ZINC000030691792 |
1 | C19 H20 F2 N4 O4 | InChI=1S/C19H20F2N4O4/c1- 25-17-11(10-22-19(24-17)2 3-13(4-6-26)5-7-27)8-16(1 8(25)28)29-15-3-2-12(20)9 -14(15)21/h2-3,8-10,13,26 -27H,4-7H2,1H3,(H,22,23,2 4); JYYLVUFNAHSSFE-UHFFFAOYSA-N |
CN1C(=O)C(=Cc2cnc(NC(CCO)CCO)nc12)Oc3ccc (F)cc3F; CN1c2c(cnc(n2)NC(CCO)CCO)C=C(C1 =O)Oc3ccc(cc3F)F; Fc3ccc(OC2=Cc1c(nc(nc1 )NC(CCO)CCO)N(C2=O)C)c(F)c3 |
6-(2,4-difluorophenoxy)-2-{[3-hydroxy-1-(2-hydroxyethyl)propyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one |
| 24919 |  FLX DB02046 ZINC000024985889 |
1 | C21 H26 N3 O6 P | InChI=1S/C21H26N3O6P/c1-1 3(2)10-17(23-21(26)18-8-5 -9-30-18)20(25)24-19(31(2 7,28)29)11-14-12-22-16-7- 4-3-6-15(14)16/h3-9,12-13 ,17,19,22H,10-11H2,1-2H3, (H,23,26)(H,24,25)(H2,27, 28,29)/t17-,19+/m0/s1; WHPKSASOSKNDPY-PKOBYXMFSA-N |
CC(C)CC(C(=O)NC(Cc1c[nH]c2c1cccc2)P(=O)( O)O)NC(=O)c3ccco3; CC(C)C[C@@H](C(=O)N[C @@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c 3ccco3; CC(C)C[CH](NC(=O)c1occc1)C(=O)N[ CH](Cc2c[nH]c3ccccc23)[P](O)(O)=O; CC(C) C[C@H](NC(=O)c1occc1)C(=O)N[C@@H](Cc2c[n H]c3ccccc23)[P](O)(O)=O; O=C(NC(C(=O)NC( Cc2c1ccccc1nc2)P(=O)(O)O)CC(C)C)c3occc3 |
N-[(FURAN-2-YL)CARBONYL]-(S)-LEUCYL-(R)-[1-AMINO-2(1H-INDOL-3-YL)ETHYL]-PHOSPHONIC ACID |
| 24920 |  FLY CHEMBL1232772 ZINC000058633207 |
1 | C17 H16 F2 N4 O2 | InChI=1S/C17H16F2N4O2/c1- 9(2)21-17-20-8-10-6-14(16 (24)23(3)15(10)22-17)25-1 3-5-4-11(18)7-12(13)19/h4 -9H,1-3H3,(H,20,21,22); HAVJVJFXQRMACG-UHFFFAOYSA-N |
CC(C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3 F)F)C; Fc3ccc(OC2=Cc1c(nc(nc1)NC(C)C)N(C 2=O)C)c(F)c3; CC(C)Nc1ncc2C=C(Oc3ccc(F)c c3F)C(=O)N(C)c2n1 |
6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one |
| 24921 |  FLZ CHEMBL1232773 ZINC000058633214 |
1 | C19 H20 N4 O3 | InChI=1S/C19H20N4O3/c1-23 -17-13(11-16(18(23)24)26- 15-5-3-2-4-6-15)12-20-19( 22-17)21-14-7-9-25-10-8-1 4/h2-6,11-12,14H,7-10H2,1 H3,(H,20,21,22); MQCPQHIQHJWGCZ-UHFFFAOYSA-N |
O=C3N(c1nc(ncc1C=C3Oc2ccccc2)NC4CCOCC4)C ; CN1c2c(cnc(n2)NC3CCOCC3)C=C(C1=O)Oc4cc ccc4; CN1C(=O)C(=Cc2cnc(NC3CCOCC3)nc12)O c4ccccc4 |
8-methyl-6-phenoxy-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
| 24922 |  FM0 CHEMBL1160328 |
7 | C6 H13 F O10 P2 | InChI=1S/C6H13FO10P2/c7-4 -6(10,3-5(8)9)1-2-16-19(1 4,15)17-18(11,12)13/h10H, 1-4H2,(H,8,9)(H,14,15)(H2 ,11,12,13)/t6-/m1/s1; YIGLDWRZXXHIGZ-ZCFIWIBFSA-N |
O=P(O)(O)OP(=O)(OCCC(O)(CC(=O)O)CF)O; C( COP(=O)(O)OP(=O)(O)O)C(CC(=O)O)(CF)O; C( CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(C F)O; OC(=O)C[C](O)(CF)CCO[P](O)(=O)O[P]( O)(O)=O; OC(=O)C[C@@](O)(CF)CCO[P](O)(=O )O[P](O)(O)=O |
(3R)-3-(fluoromethyl)-3-hydroxy-5-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}pentanoic acid; 6-fluoromevalonate 5-diphosphate |
| 24923 |  FM1 CHEMBL1232774 DB02066 ZINC000005888080 |
3 | C11 H15 N5 O4 | InChI=1S/C11H15N5O4/c1-12 -11-7-5(13-3-14-11)6(15-1 6-7)10-9(19)8(18)4(2-17)2 0-10/h3-4,8-10,17-19H,2H2 ,1H3,(H,15,16)(H,12,13,14 )/t4-,8-,9-,10+/m1/s1; JRRNRCMIBCSOIH-LFAOKBQASA-N |
CNc1c2c(c(n[nH]2)C3C(C(C(O3)CO)O)O)ncn1; OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC; CNc1ncn c2c1[nH]nc2[CH]3O[CH](CO)[CH](O)[CH]3O; CNc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H ](O)[C@H]3O; CNc1c2c(c(n[nH]2)[C@H]3[C@@ H]([C@@H]([C@H](O3)CO)O)O)ncn1 |
2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL; N7-METHYL-FORMYCIN A |
| 24924 |  FM2 DB03986 ZINC000004617929 |
6 | C11 H16 N5 O4 | InChI=1S/C11H15N5O4/c1-16 -3-13-5-6(14-15-7(5)11(16 )12)10-9(19)8(18)4(2-17)2 0-10/h3-4,8-10,17-19H,2H2 ,1H3,(H2,12,14,15)/p+1/t4 -,8-,9-,10+/m1/s1; UHYKIYIKTWEXSX-LFAOKBQASA-O |
C[n+]1cnc2c(c1N)[nH]nc2C3C(C(C(O3)CO)O)O ; C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C @@H]([C@H](O3)CO)O)O; OC1C(OC(CO)C1O)c3n nc2c(N)[n+](cnc23)C; C[n+]1cnc2c([nH]nc2 [CH]3O[CH](CO)[CH](O)[CH]3O)c1N; C[n+]1c nc2c([nH]nc2[C@@H]3O[C@H](CO)[C@@H](O)[C @H]3O)c1N |
2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL; 6-METHYL-FORMYCIN A |
| 24925 |  FM4 ZINC000039169775 |
1 | C3 H8 O7 P2 | InChI=1S/C3H8O7P2/c1-2-3( 9-2)11(4,5)10-12(6,7)8/h2 -3H,1H3,(H,4,5)(H2,6,7,8) /t2-,3+/m0/s1; WODGUJUDEVOKET-STHAYSLISA-N |
CC1C(O1)P(=O)(O)OP(=O)(O)O; C[C@H]1[C@H] (O1)[P@@](=O)(O)OP(=O)(O)O; C[C@@H]1O[C@ @H]1[P](O)(=O)O[P](O)(O)=O; C[CH]1O[CH]1 [P](O)(=O)O[P](O)(O)=O |
[(2R,3S)-3-methyloxiran-2-yl]-phosphonooxy-phosphinic acid |
| 24926 |  FM5 ZINC000028572273 |
3 | C11 H14 Cl2 N O5 P | InChI=1S/C11H14Cl2NO5P/c1 -7(15)14(16)5-4-11(20(17, 18)19)8-2-3-9(12)10(13)6- 8/h2-3,6,11,16H,4-5H2,1H3 ,(H2,17,18,19)/t11-/m0/s1; ABGCTQYLJZGMBM-NSHDSACASA-N |
CC(=O)N(CCC(c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O ; CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O )(O)O)O; CC(=O)N(O)CC[C@@H](c1ccc(Cl)c(C l)c1)[P](O)(O)=O; CC(=O)N(O)CC[CH](c1ccc (Cl)c(Cl)c1)[P](O)(O)=O |
3-(N-HYDROXYACETAMIDO)-1-(3,4-DICHLOROPHENYL)PROPYLPHOSPHONIC ACID |
| 24927 |  FM6 ZINC000096273640 |
3 | C16 H16 Cl2 N O5 P | InChI=1S/C16H16Cl2NO5P/c1 7-13-7-6-12(10-14(13)18)1 5(25(22,23)24)8-9-19(21)1 6(20)11-4-2-1-3-5-11/h1-7 ,10,15,21H,8-9H2,(H2,22,2 3,24)/t15-/m0/s1; ZQCVCGYWPNFEAH-HNNXBMFYSA-N |
c1ccc(cc1)C(=O)N(CCC(c2ccc(c(c2)Cl)Cl)P( =O)(O)O)O; c1ccc(cc1)C(=O)N(CC[C@@H](c2c cc(c(c2)Cl)Cl)P(=O)(O)O)O; ON(CC[C@@H](c 1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C(=O)c2ccccc 2; ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)= O)C(=O)c2ccccc2; Clc1ccc(cc1Cl)C(CCN(O)C (=O)c2ccccc2)P(=O)(O)O |
[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl(phenylcarbonyl)amino]propyl]phosphonic acid; [3-[benzoyl(hydroxy)amino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid |
| 24928 |  FM7 ZINC000096273636 |
1 | C23 H20 Cl2 F3 N2 O5 P | InChI=1S/C23H20Cl2F3N2O5P /c24-18-9-8-14(12-19(18)2 5)21(36(33,34)35)10-11-30 (32)22(31)17-6-1-2-7-20(1 7)29-16-5-3-4-15(13-16)23 (26,27)28/h1-9,12-13,21,2 9,32H,10-11H2,(H2,33,34,3 5)/t21-/m0/s1; UCTDTGFTTGTERG-NRFANRHFSA-N |
Clc1ccc(cc1Cl)C(CCN(O)C(=O)c3ccccc3Nc2cc (ccc2)C(F)(F)F)P(=O)(O)O; c1ccc(c(c1)C(= O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O) O)Nc3cccc(c3)C(F)(F)F; c1ccc(c(c1)C(=O)N (CCC(c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3ccc c(c3)C(F)(F)F; ON(CC[C@@H](c1ccc(Cl)c(Cl )c1)[P](O)(O)=O)C(=O)c2ccccc2Nc3cccc(c3) C(F)(F)F; ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P] (O)(O)=O)C(=O)c2ccccc2Nc3cccc(c3)C(F)(F) F |
[(1S)-1-(3,4-dichlorophenyl)-3-[oxidanyl-[2-[[3-(trifluoromethyl)phenyl]amino]phenyl]carbonyl-amino]propyl]phosphonic acid |
| 24929 |  FM8 ZINC000096273634 |
1 | C19 H19 Cl2 N4 O5 P | InChI=1S/C19H19Cl2N4O5P/c 20-16-6-5-13(9-17(16)21)1 8(31(28,29)30)7-8-25(27)1 9(26)15-4-2-1-3-14(15)10- 24-12-22-11-23-24/h1-6,9, 11-12,18,27H,7-8,10H2,(H2 ,28,29,30)/t18-/m0/s1; CGKYBZFXVQNZBL-SFHVURJKSA-N |
ON(CC[CH](c1ccc(Cl)c(Cl)c1)[P](O)(O)=O)C (=O)c2ccccc2Cn3cncn3; c1ccc(c(c1)Cn2cncn 2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O) (O)O)O; ON(CC[C@@H](c1ccc(Cl)c(Cl)c1)[P] (O)(O)=O)C(=O)c2ccccc2Cn3cncn3; Clc1ccc( cc1Cl)C(P(=O)(O)O)CCN(O)C(=O)c2ccccc2Cn3 ncnc3; c1ccc(c(c1)Cn2cncn2)C(=O)N(CCC(c3 ccc(c(c3)Cl)Cl)P(=O)(O)O)O |
[(1S)-1-(3,4-dichlorophenyl)-3-{hydroxy[2-(1H-1,2,4-triazol-1-ylmethyl)benzoyl]amino}propyl]phosphonic acid |
| 24930 |  FM9 CHEMBL566581 ZINC000045245958 |
2 | C18 H18 F N5 O S | InChI=1S/C18H18FN5OS/c1-1 1(2)22-16-8-14(20-10-21-1 6)15-9-26-18(23-15)24(3)1 7(25)12-4-6-13(19)7-5-12/ h4-11H,1-3H3,(H,20,21,22); WIVGIKIKQHUFOD-UHFFFAOYSA-N |
CC(C)Nc1cc(ncn1)c2csc(n2)N(C)C(=O)c3ccc( cc3)F; Fc1ccc(cc1)C(=O)N(c3nc(c2ncnc(NC( C)C)c2)cs3)C; CC(C)Nc1cc(ncn1)c2csc(n2)N (C)C(=O)c3ccc(F)cc3 |
4-fluoro-N-methyl-N-{4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl}benzamide |
| 24931 |  FMA ZINC000058631698 |
7 | C31 H47 N4 O11 P | InChI=1S/C31H47N4O11P/c1- 4-5-6-7-8-9-10-11-12-13-2 0(15-24(38)39)25-19(3)18( 2)14-21-26(25)32-27-29(33 -31(42)34-30(27)41)35(21) 16-22(36)28(40)23(37)17-4 6-47(43,44)45/h14,20,22-2 3,28,36-37,40H,4-13,15-17 H2,1-3H3,(H,38,39)(H,34,4 1,42)(H2,43,44,45)/t20-,2 2+,23-,28+/m1/s1; ZMESPPGIOMLBCU-QPLRPWAESA-N |
O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(c(c3N=C 1C2=NC(=O)NC1=O)C(CC(=O)O)CCCCCCCCCCC)C) C; CCCCCCCCCCC[C@H](CC(O)=O)c1c(C)c(C)cc 2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)= O)C3=NC(=O)NC(=O)C3=Nc12; CCCCCCCCCCC[C@ H](CC(=O)O)c1c(c(cc2c1N=C3C(=O)NC(=O)N=C 3N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O )O)C)C; CCCCCCCCCCCC(CC(=O)O)c1c(c(cc2c1 N=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O) O)O)O)C)C; CCCCCCCCCCC[CH](CC(O)=O)c1c(C )c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O) (O)=O)C3=NC(=O)NC(=O)C3=Nc12 |
6-(3-TETRADECANOIC ACID) FLAVINE MONONUCLEOTIDE |
| 24932 |  FMB CHEMBL1232777 DB04198 ZINC000008577182 |
12 | C10 H12 N4 O5 | InChI=1S/C10H12N4O5/c15-1 -3-7(16)8(17)9(19-3)5-4-6 (14-13-5)10(18)12-2-11-4/ h2-3,7-9,15-17H,1H2,(H,13 ,14)(H,11,12,18)/t3-,7-,8 -,9+/m1/s1; MTCJZZBQNCXKAP-KSYZLYKTSA-N |
C1=Nc2c(n[nH]c2C(=O)N1)C3C(C(C(O3)CO)O)O ; OC[CH]1O[CH]([CH](O)[CH]1O)c2n[nH]c3C( =O)NC=Nc23; O=C1NC=Nc2c1nnc2C3OC(CO)C(O) C3O; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c2n [nH]c3C(=O)NC=Nc23; C1=Nc2c(n[nH]c2C(=O) N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
FORMYCIN B |
| 24933 |  FMC CHEMBL471524 DB02281 ZINC000018275505 |
63 | C10 H13 N5 O4 | InChI=1S/C10H13N5O4/c11-1 0-6-4(12-2-13-10)5(14-15- 6)9-8(18)7(17)3(1-16)19-9 /h2-3,7-9,16-18H,1H2,(H,1 4,15)(H2,11,12,13)/t3-,7- ,8-,9+/m1/s1; KBHMEHLJSZMEMI-KSYZLYKTSA-N |
Nc1ncnc2c1[nH]nc2[C@@H]3O[C@H](CO)[C@@H] (O)[C@H]3O; Nc1ncnc2c1[nH]nc2[CH]3O[CH]( CO)[CH](O)[CH]3O; OC1C(OC(CO)C1O)c3nnc2c 3ncnc2N; c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3 )CO)O)O; c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@ H]([C@@H]([C@H](O3)CO)O)O |
(1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol |
| 24934 |  FMD CHEMBL354634 DB03737 ZINC000014947116 |
1 | C20 H20 F N3 O4 | InChI=1S/C20H20FN3O4/c1-1 0(25)19(22)16(26)6-3-11-1 3(21)4-5-14-18(11)12(20(2 7)24-14)9-15-17(28-2)7-8- 23-15/h4-5,7-10,16,19,23, 25-26H,22H2,1-2H3,(H,24,2 7)/b12-9-/t10-,16-,19+/m1 /s1; RAKYKJWUUUKCCW-MPLBGYFPSA-N |
COc1cc[nH]c1/C=C/2C(=O)Nc3ccc(F)c(C#C[C@ @H](O)[C@@H](N)[C@@H](C)O)c/23; C[C@H]([ C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[n H]3)OC)/C(=O)N2)F)O)N)O; COc1cc[nH]c1C=C 2C(=O)Nc3ccc(F)c(C#C[CH](O)[CH](N)[CH](C )O)c23; Fc1c(C#CC(O)C(N)C(O)C)c\2c(cc1)N C(=O)C/2=C/c3c(OC)ccn3; CC(C(C(C#Cc1c(cc c2c1C(=Cc3c(cc[nH]3)OC)C(=O)N2)F)O)N)O |
4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE |
| 24935 |  FME DB04464 ZINC000001529464 |
23 | C6 H11 N O3 S | InChI=1S/C6H11NO3S/c1-11- 3-2-5(6(9)10)7-4-8/h4-5H, 2-3H2,1H3,(H,7,8)(H,9,10) /t5-/m0/s1; PYUSHNKNPOHWEZ-YFKPBYRVSA-N |
CSCC[C@H](NC=O)C(O)=O; CSCC[CH](NC=O)C(O )=O; O=CNC(C(=O)O)CCSC; CSCCC(C(=O)O)NC= O; CSCC[C@@H](C(=O)O)NC=O |
N-FORMYLMETHIONINE |
| 24936 |  FMF |
1 | C6 H10 F2 O4 | InChI=1S/C6H10F2O4/c7-3-5 (11)4(10)2(1-9)12-6(3)8/h 2-6,9-11H,1H2/t2-,3+,4-,5 -,6?/m1/s1; YZRDPODBASCWCK-CBPJZXOFSA-N |
OC[CH]1O[CH](F)[CH](F)[CH](O)[CH]1O; C([ C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)F)F) O)O)O; OC[C@H]1O[C@@H](F)[C@@H](F)[C@@H] (O)[C@@H]1O; FC1C(O)C(O)C(OC1F)CO; C(C1C (C(C(C(O1)F)F)O)O)O |
2-deoxy-2-fluoro-beta-D-mannopyranosyl fluoride; 2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE; 2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE; 2-deoxy-2-fluoro-beta-D-mannosyl fluoride; 2-deoxy-2-fluoro-D-mannosyl fluoride; 2-deoxy-2-fluoro-mannosyl fluoride |
| 24937 |  FMG ZINC000058638644 |
0 | C11 H16 F N5 O7 P | InChI=1S/C11H15FN5O7P/c1- 16-3-17(8-6(16)9(19)15-11 (13)14-8)10-5(12)7(18)4(2 4-10)2-23-25(20,21)22/h3- 5,7,10,18H,2H2,1H3,(H4-,1 3,14,15,19,20,21,22)/p+1/ t4-,5+,7-,10-/m1/s1; JUZJEHBSRYAJTC-GQTRHBFLSA-O |
C[n+]1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O )[CH]2F)c3N=C(N)NC(=O)c13; C[n+]1cn(c2c1 C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O)F ; C[n+]1cn([C@@H]2O[C@H](CO[P](O)(O)=O)[ C@@H](O)[C@@H]2F)c3N=C(N)NC(=O)c13; C[n+ ]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@H]([C@@H ]([C@H](O3)COP(=O)(O)O)O)F; O=C1c2[n+](c n(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O)C |
2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium |
| 24938 |  FMH CHEMBL4283364 |
1 | C10 H9 Cl N2 O2 S Se | InChI=1S/C10H9ClN2O2SSe/c 11-5-9-6-13-10(17-9)7-1-3 -8(4-2-7)16(12,14)15/h1-4 ,6H,5H2,(H2,12,14,15); UUSUUFIKTNRGKD-UHFFFAOYSA-N |
c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N; N[S ](=O)(=O)c1ccc(cc1)c2[se]c(CCl)cn2 |
4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide |
| 24939 |  FMI |
3 | C34 H36 Fe N4 O5 | InChI=1S/C34H38N4O5.Fe/c1 -7-20-17(3)24-14-29-33(43 )34(6,8-2)30(38-29)16-25- 19(5)22(10-12-32(41)42)28 (37-25)15-27-21(9-11-31(3 9)40)18(4)23(36-27)13-26( 20)35-24;/h13-16H,7-12H2, 1-6H3,(H4,35,36,37,38,39, 40,41,42,43);/q;+4/p-2/t3 4-;/m1./s1; RRFOXEHBNIETRO-MDYNBEAQSA-L |
CCC1=C(C)C2=CC3=[N+]4C(=Cc5n6c(C=C7[N]8C (=CC1=[N+]2[Fe]468)C(=C7CCC(O)=O)C)c(CCC (O)=O)c5C)[C](C)(CC)C3=O; CCC1=C(C)C2=CC 3=[N@+]4C(=Cc5n6c(C=C7[N@]8C(=CC1=[N@@+] 2[Fe@]468)C(=C7CCC(O)=O)C)c(CCC(O)=O)c5C )[C@@](C)(CC)C3=O; O=C(O)CCC=1C2=Cc3c(CC C(=O)O)c(C)c4C=C5[N+]6=C(C=C7[N+]8=C(C=C (C=1C)N2[Fe]86n43)C(CC)=C7C)C(=O)C5(C)CC ; CCC1=C(c2cc3[n+]4c(cc5c(c(c6n5[Fe]47[n +]2c1cc8n7c(c6)c(c8C)CCC(=O)O)CCC(=O)O)C )C(C3=O)(C)CC)C |
FE-(4-MESOPORPHYRINONE)-R-ISOMER |
| 24940 |  FMJ CHEMBL1232783 ZINC000000124065 |
1 | C14 H12 N4 O | InChI=1S/C14H12N4O/c1-9-1 2(11-7-8-16-14(15)17-11)1 3(18-19-9)10-5-3-2-4-6-10 /h2-8H,1H3,(H2,15,16,17); XWMBSXFOZPVNQH-UHFFFAOYSA-N |
Cc1c(c(no1)c2ccccc2)c3ccnc(n3)N; n1oc(c( c1c2ccccc2)c3nc(ncc3)N)C; Cc1onc(c2ccccc 2)c1c3ccnc(N)n3 |
4-(5-methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine |
| 24941 |  FMK CHEMBL1232784 ZINC000058638645 |
1 | C18 H16 F2 N8 O2 | InChI=1S/C18H16F2N8O2/c1- 10(8-28-23-9-22-26-28)24- 18-21-7-11-5-15(17(29)27( 2)16(11)25-18)30-14-4-3-1 2(19)6-13(14)20/h3-7,9-10 H,8H2,1-2H3,(H,21,24,25)/ t10-/m0/s1; WIGNNIARPGHXFO-JTQLQIEISA-N |
C[C@@H](Cn1ncnn1)Nc2ncc3C=C(Oc4ccc(F)cc4 F)C(=O)N(C)c3n2; CC(Cn1ncnn1)Nc2ncc3c(n2 )N(C(=O)C(=C3)Oc4ccc(cc4F)F)C; C[C@@H](C n1ncnn1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc( cc4F)F)C; C[CH](Cn1ncnn1)Nc2ncc3C=C(Oc4c cc(F)cc4F)C(=O)N(C)c3n2; Fc4ccc(OC=2C(=O )N(c1nc(ncc1C=2)NC(Cn3ncnn3)C)C)c(F)c4 |
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(2H-tetrazol-2-yl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one |
| 24942 |  FML CHEMBL1232785 ZINC000058638353 |
1 | C15 H15 F2 N5 O3 S | InChI=1S/C15H15F2N5O3S/c1 -8(7-26(2,23)24)19-13-10- 6-18-15(20-14(10)22-21-13 )25-12-4-3-9(16)5-11(12)1 7/h3-6,8H,7H2,1-2H3,(H2,1 8,19,20,21,22)/t8-/m0/s1; BIWWSRSPBBUSCN-QMMMGPOBSA-N |
Fc3ccc(Oc1ncc2c(n1)nnc2NC(C)CS(=O)(=O)C) c(F)c3; CC(CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n 1)Oc3ccc(cc3F)F; C[CH](C[S](C)(=O)=O)Nc1 n[nH]c2nc(Oc3ccc(F)cc3F)ncc12; C[C@@H](C S(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3 F)F; C[C@@H](C[S](C)(=O)=O)Nc1n[nH]c2nc( Oc3ccc(F)cc3F)ncc12 |
6-(2,4-difluorophenoxy)-N-[(1S)-1-methyl-2-(methylsulfonyl)ethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-amine |
| 24943 |  FMM CHEMBL554 DB01259 ZINC000001550477 |
4 | C29 H26 Cl F N4 O4 S | InChI=1S/C29H26ClFN4O4S/c 1-40(36,37)12-11-32-16-23 -7-10-27(39-23)20-5-8-26- 24(14-20)29(34-18-33-26)3 5-22-6-9-28(25(30)15-22)3 8-17-19-3-2-4-21(31)13-19 /h2-10,13-15,18,32H,11-12 ,16-17H2,1H3,(H,33,34,35); BCFGMOOMADDAQU-UHFFFAOYSA-N |
Fc1cccc(c1)COc2ccc(cc2Cl)Nc5ncnc4c5cc(c3 oc(cc3)CNCCS(=O)(=O)C)cc4; C[S](=O)(=O)C CNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F )c5)c(Cl)c4)c3c2; CS(=O)(=O)CCNCc1ccc(o1 )c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cc cc(c5)F |
N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE |
| 24944 |  FMN CHEMBL1201794 DB03247 ZINC000003831425 |
4610 | C17 H21 N4 O9 P | InChI=1S/C17H21N4O9P/c1-7 -3-9-10(4-8(7)2)21(15-13( 18-9)16(25)20-17(26)19-15 )5-11(22)14(24)12(23)6-30 -31(27,28)29/h3-4,11-12,1 4,22-24H,5-6H2,1-2H3,(H,2 0,25,26)(H2,27,28,29)/t11 -,12+,14-/m0/s1; FVTCRASFADXXNN-SCRDCRAPSA-N |
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C (C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C)N(C3= NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H]( COP(=O)(O)O)O)O)O; N=2C(=O)NC(=O)C3=Nc1c c(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O )O; Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[ CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C; Cc1cc 2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[ C@H](O)CO[P](O)(O)=O)c2cc1C |
FLAVIN MONONUCLEOTIDE; RIBOFLAVIN MONOPHOSPHATE |
| 24945 |  FMO |
0 | C12 H19 F3 O9 | InChI=1S/C12H19F3O9/c13-1 1-12(14,15)9(21)8(4(2-17) 23-11)24-10-7(20)6(19)5(1 8)3(1-16)22-10/h3-11,16-2 1H,1-2H2/t3-,4-,5-,6+,7-, 8-,9+,10-,11+/m1/s1; XXSHXGUAEVMBMC-DEIBAFIGSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C @@H]2[C@H](O[C@@H](C([C@H]2O)(F)F)F)CO)O )O)O)O; OC[CH]1O[CH](O[CH]2[CH](O)C(F)(F )[CH](F)O[CH]2CO)[CH](O)[CH](O)[CH]1O; C (C1C(C(C(C(O1)OC2C(OC(C(C2O)(F)F)F)CO)O) O)O)O; FC2(F)C(O)C(OC1OC(C(O)C(O)C1O)CO) C(OC2F)CO; OC[C@H]1O[C@H](O[C@H]2[C@H](O )C(F)(F)[C@@H](F)O[C@@H]2CO)[C@H](O)[C@@ H](O)[C@@H]1O |
2-deoxy-2,2-difluoro-4-O-alpha-D-glucopyranosyl-alpha-D-arabino-hexopyranosyl fluoride; 1,2,2-trifluoromaltose |
| 24946 |  FMP DB03464 ZINC000013507295 |
15 | C10 H14 N5 O7 P | InChI=1S/C10H14N5O7P/c11- 10-6-4(12-2-13-10)5(14-15 -6)9-8(17)7(16)3(22-9)1-2 1-23(18,19)20/h2-3,7-9,16 -17H,1H2,(H,14,15)(H2,11, 12,13)(H2,18,19,20)/t3-,7 -,8-,9+/m1/s1; PBAHXXBYQACZMA-KSYZLYKTSA-N |
c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)( O)O)O)O; Nc1ncnc2c1[nH]nc2[CH]3O[CH](CO[ P](O)(O)=O)[CH](O)[CH]3O; Nc1ncnc2c1[nH] nc2[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O) [C@H]3O; O=P(OCC3OC(c2nnc1c2ncnc1N)C(O)C 3O)(O)O; c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@ H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O |
FORMYCIN-5'-MONOPHOSPHATE |
| 24947 |  FMQ CHEMBL2326883 ZINC000000161957 |
9 | C11 H11 F N2 O | InChI=1S/C11H11FN2O/c1-8- 9(7-15)6-13-14(8)11-4-2-1 0(12)3-5-11/h2-6,15H,7H2, 1H3; QJPGMVFNIWHOIY-UHFFFAOYSA-N |
Cc1c(cnn1c2ccc(cc2)F)CO; Cc1n(ncc1CO)c2c cc(F)cc2; Fc1ccc(cc1)n2ncc(c2C)CO |
[1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol |
| 24948 |  FMR |
0 | C4 H2 O4 | InChI=1S/C4H4O4/c5-3(6)1- 2-4(7)8/h1-2H,(H,5,6)(H,7 ,8)/p-2/b2-1+; VZCYOOQTPOCHFL-OWOJBTEDSA-L |
C(=CC(=O)[O-])C(=O)[O-]; [O-]C(=O)\C=C\C ([O-])=O; [O-]C(=O)C=CC([O-])=O; C(=C/C( =O)[O-])\C(=O)[O-] |
FUMARATE |
| 24949 |  FMS CHEMBL67511 ZINC000014277885 |
1 | C H2 F3 N O2 S | InChI=1S/CH2F3NO2S/c2-1(3 ,4)8(5,6)7/h(H2,5,6,7); KAKQVSNHTBLJCH-UHFFFAOYSA-N |
FC(F)(F)S(=O)(=O)N; N[S](=O)(=O)C(F)(F)F ; C(F)(F)(F)S(=O)(=O)N |
TRIFLUOROMETHANE SULFONAMIDE |
| 24950 |  FMT CHEMBL116736 DB01942 |
15 | C H2 O2 | InChI=1S/CH2O2/c2-1-3/h1H ,(H,2,3); BDAGIHXWWSANSR-UHFFFAOYSA-N |
C(=O)O; OC=O; O=CO | FORMIC ACID |
| 24951 |  FMU ZINC000058638354 |
0 | C10 H16 F N2 O9 P | InChI=1S/C10H16FN2O9P/c1- 10(11)3-13(9(17)12-8(10)1 6)7-6(15)5(14)4(22-7)2-21 -23(18,19)20/h4-7,14-15H, 2-3H2,1H3,(H,12,16,17)(H2 ,18,19,20)/t4-,5-,6-,7-,1 0+/m1/s1; MVSQIWGOIJYVSH-NVABTJCQSA-N |
O=C1N(CC(F)(C(=O)N1)C)C2OC(C(O)C2O)COP(= O)(O)O; CC1(CN(C(=O)NC1=O)C2C(C(C(O2)COP (=O)(O)O)O)O)F; C[C@]1(F)CN([C@@H]2O[C@H ](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)NC 1=O; C[C@@]1(CN(C(=O)NC1=O)[C@H]2[C@@H]( [C@@H]([C@H](O2)COP(=O)(O)O)O)O)F; C[C]1 (F)CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C H]2O)C(=O)NC1=O |
5-FLUORO-5-METHYLURIDINE-5'-MONOPHOSPHATE |
| 24952 |  FMV ZINC000098208894 |
2 | C28 H40 O4 | InChI=1S/C28H40O4/c1-17-2 0(15-21(29)16-24(17)30)9- 8-19-7-6-14-28(5)22(10-11 -23(19)28)18(2)25-12-13-2 6(32-25)27(3,4)31/h8-9,12 -13,18,21-24,29-31H,1,6-7 ,10-11,14-16H2,2-5H3/b19- 8+,20-9-/t18-,21+,22+,23- ,24-,28+/m0/s1; LQSIVELXOQAADQ-YQCVTLPCSA-N |
C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]\ 3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4 =C)O)O)C; CC(c1ccc(o1)C(C)(C)O)C2CCC3C2( CCCC3=CC=C4CC(CC(C4=C)O)O)C; C[CH]([CH]1 CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O )C3=C)c4oc(cc4)C(C)(C)O; C[C@@H]([C@H]1C C[C@H]2C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)C [C@H](O)C3=C)c4oc(cc4)C(C)(C)O; OC(c1oc( cc1)C(C3CCC4C(=C\C=C2/C(=C)C(O)CC(O)C2)\ CCCC34C)C)(C)C |
(1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol |
| 24953 |  FMW CHEMBL3924132 DB15498 |
1 | C24 H30 N8 O | InChI=1S/C24H30N8O/c1-7-3 3-19-11-16(22-31-27-14-32 (22)6)8-9-18(19)29-23-25- 12-17-10-15(2)28-21(20(17 )30-23)26-13-24(3,4)5/h8- 12,14H,7,13H2,1-6H3,(H,26 ,28)(H,25,29,30); SGWLRDAOCLITOM-UHFFFAOYSA-N |
CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C )C)c4nncn4C; CCOc1cc(ccc1Nc2ncc3cc(C)nc( NCC(C)(C)C)c3n2)c4nncn4C |
~{N}8-(2,2-dimethylpropyl)-~{N}2-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-methyl-pyrido[3,4-d]pyrimidine-2,8-diamine |
| 24954 |  FMX CHEMBL10118 DB07778 ZINC000006491064 |
7 | C22 H18 N2 O4 | InChI=1S/C22H18N2O4/c1-22 (16-12-14-19(15-13-16)27- 18-10-6-3-7-11-18)20(25)2 4(21(26)28-22)23-17-8-4-2 -5-9-17/h2-15,23H,1H3/t22 -/m0/s1; PCCSBWNGDMYFCW-QFIPXVFZSA-N |
C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(c c3)Oc4ccccc4; C[C]1(OC(=O)N(Nc2ccccc2)C1 =O)c3ccc(Oc4ccccc4)cc3; C[C@]1(OC(=O)N(N c2ccccc2)C1=O)c3ccc(Oc4ccccc4)cc3; CC1(C (=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccc cc4; O=C2OC(C(=O)N2Nc1ccccc1)(c4ccc(Oc3c cccc3)cc4)C |
FAMOXADONE; 5-METHYL-5-(4-PHENOXYPHENYL)-3-(PHENYLAMINO)-2,4-OXAZOLIDINEDIONE |
| 24955 |  FMY CHEMBL585951 ZINC000044460355 |
1 | C26 H27 F N8 O2 | InChI=1S/C26H27FN8O2/c27- 20-15-19(16-23(17-20)33-7 -11-36-12-8-33)24-5-6-28- 25(31-24)30-21-1-3-22(4-2 -21)35-18-29-26(32-35)34- 9-13-37-14-10-34/h1-6,15- 18H,7-14H2,(H,28,30,31); AHMHIFXJPSHHPH-UHFFFAOYSA-N |
c1cc(ccc1/N=C\2/NC=CC(=N2)c3cc(cc(c3)F)N 4CCOCC4)n5cnc(n5)N6CCOCC6; Fc1cc(cc(c1)C 2=NC(NC=C2)=Nc3ccc(cc3)n4cnc(n4)N5CCOCC5 )N6CCOCC6; c1cc(ccc1N=C2NC=CC(=N2)c3cc(c c(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6 |
N-[(2Z)-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2(1H)-ylidene]-4-(3-morpholin-4-yl-1H-1,2,4-triazol-1-yl)aniline |
| 24956 |  FMZ ZINC000058638355 |
2 | C19 H25 N5 O5 S | InChI=1S/C19H25N5O5S/c1-1 9(2)14(17(27)28)22-16(30- 19)12(10-25)21-15(26)13(1 1-6-4-3-5-7-11)23-24-9-8- 20-18(24)29/h3-7,10,12-14 ,16,22-23H,8-9H2,1-2H3,(H ,20,29)(H,21,26)(H,27,28) /t12-,13-,14+,16-/m1/s1; RSQZNYWGVGFVHY-HGTKMLMNSA-N |
CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O) [C@H](NN2CCNC2=O)c3ccccc3)C=O; O=C(NC(C= O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NN3C( =O)NCC3; CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccc cc2)NN3CCNC3=O)C(=O)O)C; CC1(C)S[CH](N[C H]1C(O)=O)[CH](NC(=O)[CH](NN2CCNC2=O)c3c cccc3)C=O; CC1([C@@H](N[C@H](S1)[C@@H](C =O)NC(=O)[C@@H](c2ccccc2)NN3CCNC3=O)C(=O )O)C |
(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxo-1-({(2R)-2-[(2-oxoimidazolidin-1-yl)amino]-2-phenylacetyl}amino)ethyl]-1,3-thiazolidine-4-carboxylic acid |
| 24957 |  FN0 CHEMBL3600959 ZINC000002601326 |
6 | C17 H21 F3 O3 | InChI=1S/C17H21F3O3/c1-14 (2,3)9-7-10(15(4,5)6)12-1 1(8-9)16(22,13(21)23-12)1 7(18,19)20/h7-8,22H,1-6H3 /t16-/m0/s1; RVNOANDLZIIFHB-INIZCTEOSA-N |
CC(C)(C)c1cc2c(c(c1)C(C)(C)C)OC(=O)C2(C( F)(F)F)O; CC(C)(C)c1cc(c2OC(=O)[C](O)(c2 c1)C(F)(F)F)C(C)(C)C; CC(C)(C)c1cc2c(c(c 1)C(C)(C)C)OC(=O)[C@@]2(C(F)(F)F)O; CC(C )(C)c1cc(c2OC(=O)[C@@](O)(c2c1)C(F)(F)F) C(C)(C)C |
(3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one |
| 24958 |  FN1 ZINC000003633880 |
14 | C10 H13 F N2 | InChI=1S/C10H13FN2/c1-13- 4-2-3-10(13)8-5-9(11)7-12 -6-8/h5-7,10H,2-4H2,1H3/t 10-/m0/s1; WEACEDDYURLEPK-JTQLQIEISA-N |
CN1CCC[C@H]1c2cncc(F)c2; CN1CCC[CH]1c2cn cc(F)c2; Fc1cncc(c1)C2CCCN2C; CN1CCCC1c2 cc(cnc2)F; CN1CCC[C@H]1c2cc(cnc2)F |
5-fluoronicotine; 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine |
| 24959 |  FN2 |
2 | C28 H40 N4 O9 S | InChI=1S/C28H40N4O9S/c1-1 7(2)10-21(25(35)30-22(26( 36)42(38,39)40)12-19-8-9- 29-24(19)34)31-27(37)41-2 0-13-28(14-20)15-32(16-28 )23(33)11-18-6-4-3-5-7-18 /h3-7,17,19-22,26,36H,8-1 6H2,1-2H3,(H,29,34)(H,30, 35)(H,31,37)(H,38,39,40)/ t19-,21-,22-,26-/m0/s1; BUKWXURASAKBCJ-IFXCNKOCSA-N |
CC(C)C[C@H](NC(=O)OC1CC2(C1)CN(C2)C(=O)C c3ccccc3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C @@H](O)[S](O)(=O)=O; CC(C)C[CH](NC(=O)OC 1CC2(C1)CN(C2)C(=O)Cc3ccccc3)C(=O)N[CH]( C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O; O=C(C c1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(= O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C) CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC( =O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4; CC(C) C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@ @H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C (=O)Cc4ccccc4 |
(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 24960 |  FN3 CHEMBL524664 ZINC000169897614 |
14 | C19 H25 B N4 O4 | InChI=1S/C19H25BN4O4/c1-1 3(2)10-17(20(27)28)24-18( 25)15(11-14-6-4-3-5-7-14) 23-19(26)16-12-21-8-9-22- 16/h3-9,12-13,15,17,27-28 H,10-11H2,1-2H3,(H,23,26) (H,24,25)/t15-,17+/m0/s1; GXJABQQUPOEUTA-DOTOQJQBSA-N |
CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2 cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc c1)NC(=O)c2cnccn2)(O)O; B([C@@H](CC(C)C) NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O) O; CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC (=O)c2cnccn2)B(O)O |
[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid |
| 24961 |  FN5 ZINC000098208895 |
1 | C19 H30 F N4 O14 P | InChI=1S/C19H30FN4O14P/c1 -6(26)22-11-14(30)10(20)1 8(37-16(11)12(28)7(27)4-2 5)38-39(33,34)35-5-8-13(2 9)15(31)17(36-8)24-3-2-9( 21)23-19(24)32/h2-3,7-8,1 0-18,25,27-31H,4-5H2,1H3, (H,22,26)(H,33,34)(H2,21, 23,32)/t7-,8-,10-,11-,12- ,13-,14+,15-,16-,17-,18+/ m1/s1; DLSXHRIQCIXYOE-DOSPZCANSA-N |
CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@H](O [C@H]1[C@H](O)[C@H](O)CO)O[P](O)(=O)OC[C @H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3= O)N; CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[ C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)O C[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC 3=O)N)O)O)F)O; O=C1N=C(N)C=CN1C2OC(C(O)C 2O)COP(=O)(O)OC3OC(C(NC(=O)C)C(O)C3F)C(O )C(O)CO; CC(=O)N[CH]1[CH](O)[CH](F)[CH]( O[CH]1[CH](O)[CH](O)CO)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N; CC (=O)NC1C(C(C(OC1C(C(CO)O)O)OP(=O)(O)OCC2 C(C(C(O2)N3C=CC(=NC3=O)N)O)O)F)O |
CMP-3F(a)-Neu5Ac |
| 24962 |  FN6 |
4 | C10 H16 N4 O4 | InChI=1S/C10H16N4O4/c11-7 (9(15)16)1-2-13-8(10(17)1 8)3-6-4-12-5-14-6/h4-5,7- 8,13H,1-3,11H2,(H,12,14)( H,15,16)(H,17,18)/t7-,8+/ m0/s1; PQUPEWJRDBYFHU-JGVFFNPUSA-N |
N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(O)=O)C(O) =O; c1c(nc[nH]1)CC(C(=O)O)NCCC(C(=O)O)N; c1c(nc[nH]1)C[C@H](C(=O)O)NCC[C@@H](C(= O)O)N; N[CH](CCN[CH](Cc1c[nH]cn1)C(O)=O) C(O)=O |
(2S)-2-azanyl-4-[[(2R)-3-(1H-imidazol-4-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid |
| 24963 |  FN7 ZINC000024717888 |
1 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-5-4- 6(2)10-7(3)8(5)9(11)12/h4 H,1-3H3,(H,11,12); YUGIEZXMHZFOFD-UHFFFAOYSA-N |
Cc1cc(nc(c1C(=O)O)C)C; Cc1cc(C)c(C(O)=O) c(C)n1; OC(=O)c1c(C)cc(C)nc1C |
2,4,6-trimethylpyridine-3-carboxylic acid |
| 24964 |  FN8 |
2 | C17 H31 N3 O7 | InChI=1S/C17H31N3O7/c1-5- 15(22)20(26)9-6-7-14(18-1 3(3)21)17(24)27-10-8-12(2 )11-16(23)19(4)25/h11,14, 17,24-26H,5-10H2,1-4H3,(H ,18,21)/b12-11-/t14-,17-/ m0/s1; RTBUQAUWUAENOT-KGZSOMBESA-N |
CCC(=O)N(O)CCC[CH](NC(C)=O)[CH](O)OCCC(C )=CC(=O)N(C)O; CCC(=O)N(CCC[C@@H]([C@@H] (O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O; CCC (=O)N(CCCC(C(O)OCCC(=CC(=O)N(C)O)C)NC(=O )C)O; CCC(=O)N(O)CCC[C@H](NC(C)=O)[C@@H] (O)OCC\C(C)=C/C(=O)N(C)O |
(~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide |
| 24965 |  FN9 CHEMBL4471746 |
2 | C20 H25 N5 O | InChI=1S/C20H25N5O/c1-23- 12-15(14-7-5-4-6-8-14)11- 16(13-23)21-20-22-17-9-10 -24(2)18(17)19(26)25(20)3 /h4-10,15-16H,11-13H2,1-3 H3,(H,21,22)/t15-,16+/m0/ s1; FAOILJOQEQTGLJ-JKSUJKDBSA-N |
CN1C[C@@H](C[C@@H](C1)c2ccccc2)NC3=Nc4cc n(C)c4C(=O)N3C; CN1C[CH](C[CH](C1)c2cccc c2)NC3=Nc4ccn(C)c4C(=O)N3C; Cn1ccc2c1C(= O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4cccc c4)C; Cn1ccc2c1C(=O)N(C(=N2)NC3CC(CN(C3) C)c4ccccc4)C |
3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one |
| 24966 |  FNA CHEMBL170408 ZINC000001513833 |
1 | C16 H13 N | InChI=1S/C16H13N/c1-2-9-1 4(10-3-1)17-16-12-6-8-13- 7-4-5-11-15(13)16/h1-12,1 7H; XQVWYOYUZDUNRW-UHFFFAOYSA-N |
N(c1ccccc1)c2cccc3ccccc23; c1ccc(cc1)Nc2 cccc3c2cccc3; c3c(Nc1ccccc1)c2ccccc2cc3 |
N-phenylnaphthalen-1-amine |
| 24967 |  FNB CHEMBL5947679 |
1 | C19 H19 Cl2 N9 O3 | InChI=1S/C19H19Cl2N9O3/c1 -10(32-2)17(33-3)16-13(9- 22-15-7-14(21)28-29(15)16 )27-19(31)26-11-6-12(20)1 8(23-8-11)30-24-4-5-25-30 /h4-10,17H,1-3H3,(H2,26,2 7,31)/t10-,17+/m1/s1; XKQLNDPUQSZBJW-QGHHPUGFSA-N |
CO[CH](C)[CH](OC)c1n2nc(Cl)cc2ncc1NC(=O) Nc3cnc(n4nccn4)c(Cl)c3; C[C@H]([C@@H](c1 c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3)n4ncc n4)Cl)OC)OC; CO[C@H](C)[C@H](OC)c1n2nc(C l)cc2ncc1NC(=O)Nc3cnc(n4nccn4)c(Cl)c3; C C(C(c1c(cnc2n1nc(c2)Cl)NC(=O)Nc3cc(c(nc3 )n4nccn4)Cl)OC)OC |
1-[2-chloranyl-7-[(1~{R},2~{R})-1,2-dimethoxypropyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-[5-chloranyl-6-(1,2,3-triazol-2-yl)pyridin-3-yl]urea |
| 24968 |  FNC CHEMBL4471748 |
2 | C19 H23 N5 O | InChI=1S/C19H23N5O/c1-23- 11-14(13-6-4-3-5-7-13)10- 15(12-23)21-19-22-16-8-9- 20-17(16)18(25)24(19)2/h3 -9,14-15,20H,10-12H2,1-2H 3,(H,21,22)/t14-,15+/m0/s 1; JRIBEBYKWORBGC-LSDHHAIUSA-N |
CN1C[C@@H](C[C@@H](C1)c2ccccc2)NC3=Nc4cc [nH]c4C(=O)N3C; CN1CC(CC(C1)NC2=Nc3cc[nH ]c3C(=O)N2C)c4ccccc4; CN1C[C@H](C[C@H](C 1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4; CN1C [CH](C[CH](C1)c2ccccc2)NC3=Nc4cc[nH]c4C( =O)N3C |
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one |
| 24969 |  FND |
1 | C34 H44 N8 O3 | InChI=1S/C34H44N8O3/c1-6- 23(2)42-28-10-8-7-9-26(28 )33(44)39(4)29-22-35-34(3 7-31(29)42)36-27-12-11-24 (21-30(27)45-5)32(43)41-1 5-13-25(14-16-41)40-19-17 -38(3)18-20-40/h7-12,21-2 3,25H,6,13-20H2,1-5H3,(H, 35,36,37)/t23-/m0/s1; ACWOMSOYIIVIRV-QHCPKHFHSA-N |
CC[CH](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc (cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13; CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc 4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C; CCC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4cc c(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C; CC [C@H](C)N1c2ccccc2C(=O)N(C)c3cnc(Nc4ccc( cc4OC)C(=O)N5CCC(CC5)N6CCN(C)CC6)nc13; c 3(C(N1CCC(CC1)N2CCN(CC2)C)=O)ccc(c(c3)OC )Nc6ncc5N(C(=O)c4c(cccc4)N(C(CC)C)c5n6)C |
11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
| 24970 |  FNE |
11 | C3 Fe Ni O3 S | InChI=1S/3CO.Fe.Ni.S/c3*1 -2;;;; RSNJUOPWNIKDNA-UHFFFAOYSA-N |
C(#O)[Fe]1(S[Ni]1)(C#O)C#O; [Fe]S[Ni].[C -]#[O+].[C-]#[O+].[C-]#[O+] |
(MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI) |
| 24971 |  FNF ZINC000098208896 |
2 | C17 H27 N3 O15 P2 | InChI=1S/C17H27N3O15P2/c1 -7-4-20(17(26)19-15(7)25) 11-3-9(22)10(33-11)5-31-3 6(27,28)35-37(29,30)34-16 -14(24)12(18-6-21)13(23)8 (2)32-16/h4,6,8-14,16,22- 24H,3,5H2,1-2H3,(H,18,21) (H,27,28)(H,29,30)(H,19,2 5,26)/t8-,9+,10-,11-,12+, 13+,14-,16-/m1/s1; XDTNOGIJZRWAPO-KYQZRJCOSA-N |
O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP (=O)(OC3OC(C(O)C(NC=O)C3O)C)O)O)C; C[C@@ H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O )OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C= C(C(=O)NC3=O)C)O)O)NC=O)O; CC1C(C(C(C(O1 )OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(= O)NC3=O)C)O)O)NC=O)O; C[CH]1O[CH](O[P](O )(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C =C(C)C(=O)NC3=O)[CH](O)[CH](NC=O)[CH]1O; C[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[ C@H]2O[C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O )[C@H](O)[C@@H](NC=O)[C@H]1O |
|
| 24972 |  FNG DB02802 ZINC000016051393 |
5 | C13 H16 N2 O9 | InChI=1S/C13H16N2O9/c14-1 2(20)5-1-6(15(21)22)3-7(2 -5)23-13-11(19)10(18)9(17 )8(4-16)24-13/h1-3,8-11,1 3,16-19H,4H2,(H2,14,20)/t 8-,9+,10+,11-,13+/m1/s1; BYSXBFJVGIOFBO-LNSPPBFMSA-N |
NC(=O)c1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@H ](O)[C@H]2O)cc(c1)[N+]([O-])=O; [O-][N+] (=O)c2cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)N) c2; c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H ]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)N; c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO) O)O)O)C(=O)N; NC(=O)c1cc(O[CH]2O[CH](CO) [CH](O)[CH](O)[CH]2O)cc(c1)[N+]([O-])=O |
5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside; 5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-D-GALACTOPYRANOSE; 5-aminocarbonyl-3-nitrophenyl alpha-D-galactoside; 5-aminocarbonyl-3-nitrophenyl D-galactoside; 5-aminocarbonyl-3-nitrophenyl galactoside |
| 24973 |  FNH ZINC000058633216 |
1 | C41 H55 N5 O8 | InChI=1S/C41H55N5O8/c1-2- 15-31(37(49)40(52)42-26-3 4(48)46-36(41(53)54)30-21 -11-7-12-22-30)43-38(50)3 2-25-28-18-14-17-27(24-28 )16-8-4-3-5-13-23-33(47)4 5-35(39(51)44-32)29-19-9- 6-10-20-29/h7,11-12,14,17 -18,21-22,24,29,31-32,35- 36H,2-6,8-10,13,15-16,19- 20,23,25-26H2,1H3,(H,42,5 2)(H,43,50)(H,44,51)(H,45 ,47)(H,46,48)(H,53,54)/t3 1-,32-,35-,36+/m0/s1; MRGBFMHIJSOQIX-IMJQVECRSA-N |
CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O )NC(=O)C2Cc3cccc(c3)CCCCCCCC(=O)NC(C(=O) N2)C4CCCCC4; CCC[C@@H](C(=O)C(=O)NCC(=O) N[C@H](c1ccccc1)C(=O)O)NC(=O)[C@@H]2Cc3c ccc(c3)CCCCCCCC(=O)N[C@H](C(=O)N2)C4CCCC C4; CCC[CH](NC(=O)[CH]1Cc2cccc(CCCCCCCC( =O)N[CH](C3CCCCC3)C(=O)N1)c2)C(=O)C(=O)N CC(=O)N[CH](C(O)=O)c4ccccc4; CCC[C@H](NC (=O)[C@@H]1Cc2cccc(CCCCCCCC(=O)N[C@@H](C 3CCCCC3)C(=O)N1)c2)C(=O)C(=O)NCC(=O)N[C@ @H](C(O)=O)c4ccccc4; O=C(O)C(c1ccccc1)NC (=O)CNC(=O)C(=O)C(NC(=O)C3NC(=O)C(NC(=O) CCCCCCCc2cccc(c2)C3)C4CCCCC4)CCC |
(2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID |
| 24974 |  FNI CHEMBL1614960 ZINC000034891276 |
2 | C22 H15 N5 O3 | InChI=1S/C22H15N5O3/c28-1 7-3-1-2-13-10-14(4-5-15(1 3)17)26-20-16-6-8-23-11-1 8(16)30-21(20)22(29)27-19 -7-9-24-12-25-19/h1-12,26 ,28H,(H,24,25,27,29); AHLQDZCJPCLDJM-UHFFFAOYSA-N |
c1cc2cc(ccc2c(c1)O)Nc3c4ccncc4oc3C(=O)Nc 5ccncn5; O=C(Nc1ncncc1)c3oc2cnccc2c3Nc5c c4cccc(O)c4cc5; Oc1cccc2cc(Nc3c(oc4cnccc 34)C(=O)Nc5ccncn5)ccc12 |
3-[(5-hydroxynaphthalen-2-yl)amino]-N-(pyrimidin-4-yl)furo[2,3-c]pyridine-2-carboxamide |
| 24975 |  FNJ |
2 | C22 H22 O2 | InChI=1S/C22H22O2/c1-2-21 (16-8-12-19(23)13-9-16)22 (17-6-4-3-5-7-17)18-10-14 -20(24)15-11-18/h3-15,21- 24H,2H2,1H3/t21-,22+/m0/s 1; KTDYSTOLKGILFR-FCHUYYIVSA-N |
CCC(c1ccc(cc1)O)C(c2ccccc2)c3ccc(cc3)O; CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3cc c(cc3)O; CC[C@H]([C@H](c1ccccc1)c2ccc(O) cc2)c3ccc(O)cc3; CC[CH]([CH](c1ccccc1)c2 ccc(O)cc2)c3ccc(O)cc3; c1c(ccc(c1)O)C(CC )C(c2ccc(O)cc2)c3ccccc3 |
4,4'-[(1R,2R)-1-phenylbutane-1,2-diyl]diphenol |
| 24976 |  FNK ZINC000198683920 |
1 | C32 H43 N9 O16 P2 | InChI=1S/C32H43N9O16P2/c1 -13(2)5-21(44)41-17-7-15( 4)14(3)6-16(17)39(29-23(4 1)30(48)38-32(49)37-29)8- 18(42)24(45)19(43)9-54-58 (50,51)57-59(52,53)55-10- 20-25(46)26(47)31(56-20)4 0-12-36-22-27(33)34-11-35 -28(22)40/h6-7,11-13,18-2 0,24-26,31,42-43,45-47H,5 ,8-10H2,1-4H3,(H,50,51)(H ,52,53)(H2,33,34,35)(H2,3 7,38,48,49)/t18-,19+,20+, 24-,25+,26+,31+/m0/s1; CXENQOVRLDMZEP-KQGUAMSLSA-N |
CC(C)CC(=O)N1c2cc(C)c(C)cc2N(C[CH](O)[CH ](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6 =C1C(=O)NC(=O)N6; O=C(N2c1cc(c(cc1N(C3=C 2C(=O)NC(=O)N3)CC(O)C(O)C(O)COP(=O)(O)OP (=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C )C)CC(C)C; Cc1cc2c(cc1C)N(C3=C(N2CC(C(C( COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5 ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C ; Cc1cc2c(cc1C)N(C3=C(N2C[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)NC(=O)NC3=O)C(=O)CC(C)C; CC(C)C C(=O)N1c2cc(C)c(C)cc2N(C[C@H](O)[C@H](O) [C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O [C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45) C6=C1C(=O)NC(=O)N6 |
|
| 24977 |  FNM CHEMBL1232792 ZINC000013827994 |
3 | C17 H17 N3 O S | InChI=1S/C17H17N3OS/c1-17 (13-9-5-3-6-10-13)15(21)2 0(16(18-17)22-2)19-14-11- 7-4-8-12-14/h3-12,19H,1-2 H3/t17-/m0/s1; LMVPQMGRYSRMIW-KRWDZBQOSA-N |
CSC1=N[C@](C)(C(=O)N1Nc2ccccc2)c3ccccc3; CC1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccccc3; C[C@@]1(C(=O)N(C(=N1)SC)Nc2ccccc2)c3ccc cc3; CSC1=N[C](C)(C(=O)N1Nc2ccccc2)c3ccc cc3 |
(5S)-5-methyl-2-(methylsulfanyl)-5-phenyl-3-(phenylamino)-3,5-dihydro-4H-imidazol-4-one |
| 24978 |  FNN ZINC000036047178 |
2 | C6 H4 F N O3 | InChI=1S/C6H4FNO3/c7-5-3- 4(9)1-2-6(5)8(10)11/h1-3, 9H; CSSGKHVRDGATJL-UHFFFAOYSA-N |
c1cc(c(cc1O)F)[N+](=O)[O-]; Fc1c([N+]([O -])=O)ccc(O)c1; Oc1ccc(c(F)c1)[N+]([O-]) =O |
3-fluoro-4-nitrophenol |
| 24979 |  FNO CHEMBL9470 ZINC000002015152 |
5 | C16 H16 O5 | InChI=1S/C16H16O5/c1-8(2) 3-4-10(17)9-7-13(20)14-11 (18)5-6-12(19)15(14)16(9) 21/h3,5-7,10,17-19H,4H2,1 -2H3/t10-/m1/s1; NEZONWMXZKDMKF-SNVBAGLBSA-N |
CC(=CCC(C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C; CC(=CC[C@H](C1=CC(=O)c2c(ccc(c2C1=O)O)O )O)C; CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)cc c(O)c2C1=O; CC(C)=CC[CH](O)C1=CC(=O)c2c( O)ccc(O)c2C1=O |
2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione; shikonin |
| 24980 |  FNP CHEMBL1161221 DB03154 ZINC000002043452 |
1 | C12 H10 F4 O6 P2 | InChI=1S/C12H10F4O6P2/c13 -11(14,23(17,18)19)9-3-1- 7-2-4-10(6-8(7)5-9)12(15, 16)24(20,21)22/h1-6H,(H2, 17,18,19)(H2,20,21,22); VHKBLEYUHBIBNR-UHFFFAOYSA-N |
c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F )P(=O)(O)O; O[P](O)(=O)C(F)(F)c1ccc2ccc( cc2c1)C(F)(F)[P](O)(O)=O; FC(F)(c1cc2c(c c1)ccc(c2)C(F)(F)P(=O)(O)O)P(=O)(O)O |
{[7-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALEN-2-YL]-DIFLUORO-METHYL}-PHOSPHONIC ACID |
| 24981 |  FNQ CHEMBL4559561 |
4 | C28 H27 N7 O | InChI=1S/C28H27N7O/c36-28 -25-7-12-30-27(26(25)31-1 9-32-28)35-18-20(16-33-35 )8-13-34-14-9-23(10-15-34 )21-3-5-22(6-4-21)24-2-1- 11-29-17-24/h1-7,11-12,16 -19,23H,8-10,13-15H2,(H,3 1,32,36); JRDMCDIQZVMPPB-UHFFFAOYSA-N |
c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4 )c5c6c(ccn5)C(=O)NC=N6; O=C1NC=Nc2c1ccnc 2n3cc(CCN4CCC(CC4)c5ccc(cc5)c6cccnc6)cn3 |
8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 24982 |  FNR |
174 | C17 H23 N4 O9 P | InChI=1S/C17H23N4O9P/c1-7 -3-9-10(4-8(7)2)21(15-13( 18-9)16(25)20-17(26)19-15 )5-11(22)14(24)12(23)6-30 -31(27,28)29/h3-4,11-12,1 4,18,22-24H,5-6H2,1-2H3,( H2,27,28,29)(H2,19,20,25, 26)/t11-,12+,14-/m0/s1; YTNIXZGTHTVJBW-SCRDCRAPSA-N |
Cc1cc2NC3=C(NC(=O)NC3=O)N(C[C@H](O)[C@H] (O)[C@H](O)CO[P](O)(O)=O)c2cc1C; Cc1cc2c (cc1C)N(C3=C(N2)C(=O)NC(=O)N3)CC(C(C(COP (=O)(O)O)O)O)O; Cc1cc2c(cc1C)N(C3=C(N2)C (=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(= O)(O)O)O)O)O; Cc1cc2NC3=C(NC(=O)NC3=O)N( C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc 1C; c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c 3)CC(O)C(O)C(O)COP(O)(=O)O |
1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL; TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE |
| 24983 |  FNS DB02164 |
4 | C17 H21 N4 O12 P S | InChI=1S/C17H21N4O12PS/c1 -7-3-9-10(4-8(7)2)21(35(3 0,31)32)13-15(18-17(26)19 -16(13)25)20(9)5-11(22)14 (24)12(23)6-33-34(27,28)2 9/h3-4,11-12,14,22-24H,5- 6H2,1-2H3,(H3-,19,25,26,2 7,28,29,30,31,32)/t11-,12 +,14-/m0/s1; ZLPUGFBBLGQWBS-SCRDCRAPSA-N |
Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[ C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)S( =O)(=O)[O-]; Cc1cc2N(C[CH](O)[CH](O)[CH] (O)CO[P](O)(O)=O)C3=NC(=O)NC(=O)C3=[N+]( c2cc1C)[S]([O-])(=O)=O; Cc1cc2c(cc1C)[N+ ](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)(O)O )O)O)O)S(=O)(=O)[O-]; N=2C(=O)NC(=O)C3=[ N+](S([O-])(=O)=O)c1cc(C)c(C)cc1N(C=23)C C(O)C(O)C(O)COP(=O)(O)O; Cc1cc2N(C[C@H]( O)[C@H](O)[C@H](O)CO[P](O)(O)=O)C3=NC(=O )NC(=O)C3=[N+](c2cc1C)[S]([O-])(=O)=O |
N-SULFO-FLAVIN MONONUCLEOTIDE |
| 24984 |  FNT CHEMBL485022 |
1 | C13 H11 Cl N2 O4 | InChI=1S/C13H11ClN2O4/c1- 6(13(19)20)15-12(18)9-10( 17)7-4-2-3-5-8(7)11(14)16 -9/h2-6,17H,1H3,(H,15,18) (H,19,20)/p-1/t6-/m0/s1; QJWFWOUODUTVCE-LURJTMIESA-M |
C[CH](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O; CC(C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O; C [C@H](NC(=O)c1nc(Cl)c2ccccc2c1O)C(O)=O; C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl )O; [O-]C(=O)C(NC(=O)c1nc(Cl)c2c(c1O)ccc c2)C |
(2S)-2-{[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]amino}propanoic acid |
| 24985 |  FNU CHEMBL474165 ZINC000040406933 |
17 | C9 H13 F N3 O9 P | InChI=1S/C9H13FN3O9P/c10- 3-6(11)13(9(17)12-7(3)16) 8-5(15)4(14)2(22-8)1-21-2 3(18,19)20/h2,4-5,8,14-15 H,1,11H2,(H,12,16,17)(H2, 18,19,20)/t2-,4-,5-,8-/m1 /s1; OLBMCLUPWOAIRA-UMMCILCDSA-N |
O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(F)=C1N)C( O)C2O; NC1=C(F)C(=O)NC(=O)N1[CH]2O[CH](C O[P](O)(O)=O)[CH](O)[CH]2O; NC1=C(F)C(=O )NC(=O)N1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@ @H](O)[C@H]2O; C(C1C(C(C(O1)N2C(=C(C(=O) NC2=O)F)N)O)O)OP(=O)(O)O; C([C@@H]1[C@H] ([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O )O)OP(=O)(O)O |
6-amino-5-fluorouridine 5'-(dihydrogen phosphate) |
| 24986 |  FNV CHEMBL4210580 |
1 | C29 H30 F3 N7 O2 S | InChI=1S/C29H30F3N7O2S/c1 -17-18(2-3-25-23(17)8-20( 11-33)39(25)14-21-12-34-2 6(40)15-41-21)13-38-6-4-1 9(5-7-38)37-27-24-9-22(10 -29(30,31)32)42-28(24)36- 16-35-27/h2-3,8-9,16,19,2 1H,4-7,10,12-15H2,1H3,(H, 34,40)(H,35,36,37)/t21-/m 1/s1; JTUOGOXWKQAKOR-OAQYLSRUSA-N |
Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc3 4)ccc5n(C[C@H]6CNC(=O)CO6)c(cc15)C#N; c1 2sc(cc1c(ncn2)NC3CCN(CC3)Cc6ccc5c(cc(C#N )n5CC4CNC(CO4)=O)c6C)CC(F)(F)F; Cc1c(ccc 2c1cc(n2CC3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5 c6cc(sc6ncn5)CC(F)(F)F; Cc1c(ccc2c1cc(n2 C[C@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc5c6cc (sc6ncn5)CC(F)(F)F; Cc1c(CN2CCC(CC2)Nc3n cnc4sc(CC(F)(F)F)cc34)ccc5n(C[CH]6CNC(=O )CO6)c(cc15)C#N |
4-methyl-1-{[(2R)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
| 24987 |  FNW CHEMBL5173563 |
1 | C10 H6 Cl2 F3 N3 O | InChI=1S/C10H6Cl2F3N3O/c1 1-6-1-2-7(9(12)8(6)10(13, 14)15)18-3-5(4-19)16-17-1 8/h1-3,19H,4H2; KVIREHNULVZQCY-UHFFFAOYSA-N |
OCc1cn(nn1)c2ccc(Cl)c(c2Cl)C(F)(F)F; c1c c(c(c(c1n2cc(nn2)CO)Cl)C(F)(F)F)Cl |
[1-[2,4-bis(chloranyl)-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol |
| 24988 |  FNX |
4 | C15 H16 N6 O2 | InChI=1S/C15H16N6O2/c1-9- 2-4-10(5-3-9)17-6-11-7-18 -13-12(21(11)8-22)14(23)2 0-15(16)19-13/h2-6,8,11-1 2H,7H2,1H3,(H3,16,18,19,2 0,23)/b17-6+/t11-,12+/m1/ s1; UDYJDSNAUDQZNM-RMTXVELISA-N |
Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2 C=O)N; Cc1ccc(cc1)N=C[CH]2CNC3=NC(=NC(=O )[CH]3N2C=O)N; Cc1ccc(cc1)N=CC2CNC3=NC(= NC(=O)C3N2C=O)N; O=CN1C3C(NCC1[C@H]=Nc2c cc(cc2)C)=NC(=NC3=O)N; Cc1ccc(cc1)N=C[C@ @H]2CNC3=NC(=NC(=O)[C@H]3N2C=O)N |
(4aS,6S)-2-amino-6-{(E)-[(4-methylphenyl)imino]methyl}-4-oxo-4,6,7,8-tetrahydropteridine-5(4aH)-carbaldehyde |
| 24989 |  FNY |
0 | C30 H52 O26 | InChI=1S/C30H52O26/c31-1- 10-15(37)20(42)21(43)26(5 1-10)56-30(25(47)19(41)14 (5-35)55-30)9-50-29(24(46 )18(40)13(4-34)54-29)8-49 -28(23(45)17(39)12(3-33)5 3-28)7-48-27(6-36)22(44)1 6(38)11(2-32)52-27/h10-26 ,31-47H,1-9H2/t10-,11+,12 +,13+,14+,15+,16+,17+,18+ ,19-,20+,21+,22-,23-,24-, 25+,26+,27+,28+,29+,30-/m 0/s1; QNTKVQQLMHZOKP-OZEFEZCKSA-N |
C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@] 2([C@@H]([C@H]([C@H](O2)CO)O)O)CO[C@]3([ C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H ]([C@@H]([C@H](O4)CO)O)O)CO[C@]5([C@H]([ C@@H]([C@H](O5)CO)O)O)CO)O)O)O)O; OC[CH] 1O[CH](O[C]2(CO[C]3(CO[C]4(CO[C]5(CO)O[C H](CO)[CH](O)[CH]5O)O[CH](CO)[CH](O)[CH] 4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH]( O)[CH]2O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1 O[C@H](O[C@]2(CO[C@]3(CO[C@]4(CO[C@]5(CO )O[C@H](CO)[C@@H](O)[C@@H]5O)O[C@H](CO)[ C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@ H]3O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[ C@H](O)[C@@H]1O; C(C1C(C(C(C(O1)OC2(C(C( C(O2)CO)O)O)COC3(C(C(C(O3)CO)O)O)COC4(C( C(C(O4)CO)O)O)COC5(C(C(C(O5)CO)O)O)CO)O) O)O)O |
1-FRUCTOFURANOSYL-D-NYSTOSE |
| 24990 |  FNZ ZINC000003604395 |
4 | C18 H15 F N4 O | InChI=1S/C18H15FN4O/c19-1 6-7-3-13(4-8-16)9-17(24)1 8(23-12-21-11-22-23)15-5- 1-14(10-20)2-6-15/h1-8,11 -12,17-18,24H,9H2/t17-,18 +/m1/s1; SLJZVZKQYSKYNV-MSOLQXFVSA-N |
c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cn cn3)O)F; Fc1ccc(cc1)CC(O)C(c2ccc(C#N)cc2 )n3ncnc3; c1cc(ccc1CC(C(c2ccc(cc2)C#N)n3 cncn3)O)F; O[C@H](Cc1ccc(F)cc1)[C@@H](n2 cncn2)c3ccc(cc3)C#N; O[CH](Cc1ccc(F)cc1) [CH](n2cncn2)c3ccc(cc3)C#N |
4-[(1S,2R)-3-(4-FLUOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)PROPYL]BENZONITRILE |
| 24991 |  FO0 |
3 | C20 H18 N6 O2 | InChI=1S/C20H18N6O2/c1-11 -5-4-8-26-18(11)25-17-15( 20(26)28)9-14(16(21)24-17 )19(27)23-12(2)13-6-3-7-2 2-10-13/h3-10,12H,1-2H3,( H2,21,24)(H,23,27)/t12-/m 0/s1; FHRKZGQIKPGLAU-LBPRGKRZSA-N |
C[C@H](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2 nc1N)c4cccnc4; CC1=CC=CN2C1=Nc3c(cc(c(n3 )N)C(=O)N[C@@H](C)c4cccnc4)C2=O; C[CH](N C(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4c ccnc4; CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O) NC(C)c4cccnc4)C2=O |
6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide |
| 24992 |  FO1 ZINC000100069844 |
15 | C16 H17 N3 O7 | InChI=1S/C16H17N3O7/c20-6 -12(23)13(24)11(22)5-19-1 0-4-8(21)2-1-7(10)3-9-14( 19)17-16(26)18-15(9)25/h1 -4,11-13,20-24H,5-6H2,(H, 18,25,26)/t11-,12+,13-/m0 /s1; AUEILLWDYUBWCM-XQQFMLRXSA-N |
c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@ H]([C@@H]([C@@H](CO)O)O)O; O=C1C=3C(=NC( =O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO ; OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C =C3C(=O)NC(=O)N=C13; OC[C@@H](O)[C@@H](O )[C@@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N =C13; c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2 )CC(C(C(CO)O)O)O |
1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol; 7,8-didemethyl-8-hydroxy-5-deazariboflavin |
| 24993 |  FO2 CHEMBL4483780 |
9 | C16 H18 N6 O | InChI=1S/C16H18N6O/c1-21- 6-3-11(4-7-21)12-8-20-22( 9-12)15-14-13(2-5-17-15)1 6(23)19-10-18-14/h2,5,8-1 1H,3-4,6-7H2,1H3,(H,18,19 ,23); WDLBUONJQGHSKT-UHFFFAOYSA-N |
CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N 4; CN1CCC(CC1)c2cnn(c2)c3nccc4C(=O)NC=Nc 34 |
8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 24994 |  FO4 |
162 | C47 H94 N2 O6 P | InChI=1S/C47H93N2O6P/c1-6 -8-10-12-14-16-18-20-21-2 2-23-24-25-26-27-29-31-33 -35-37-39-41-47(51)48-45( 44-55-56(52,53)54-43-42-4 9(3,4)5)46(50)40-38-36-34 -32-30-28-19-17-15-13-11- 9-7-2/h20-21,38,40,45-46, 50,52H,6-19,22-37,39,41-4 4H2,1-5H3/q-1/p+1/b21-20- ,40-38+/t45-,46+/m0/s1; NHYQHBPEJLFFSO-QYKFWSDSSA-O |
CCCCCCCCCCCCCC=CC(C(COP(=O)([OH-])OCC[N+ ](C)(C)C)NC(=O)CCCCCCCCCCCCCC=CCCCCCCCC) O; CCCCCCCCCCCCCC=C[CH](O)[CH](CO[P]([OH -])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCC CC=CCCCCCCCC; CCCCCCCCCCCCC/C=C/[C@H]([C @H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)C CCCCCCCCCCCC/C=C\CCCCCCCC)O; CCCCCCCCCCC CC/C=C/[C@@H](O)[C@H](CO[P]([OH-])(=O)OC C[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCC CCCCC |
sphingomyelin |
| 24995 |  FO5 CHEMBL1773781 ZINC000043199600 |
1 | C14 H14 N4 O2 S | InChI=1S/C14H14N4O2S/c15- 6-3-12(19)18-7-4-10(5-8-1 8)14-16-13(17-20-14)11-2- 1-9-21-11/h1-2,9-10H,3-5, 7-8H2; SSTGJZVDCOEUFG-UHFFFAOYSA-N |
c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N; O =C(CC#N)N1CCC(CC1)c2onc(n2)c3sccc3; N#CC C(=O)N3CCC(c1onc(n1)c2sccc2)CC3 |
3-oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile |
| 24996 |  FO6 |
1 | C27 H36 O3 | InChI=1S/C27H36O3/c1-19-2 1(17-22(28)18-24(19)29)11 -10-20-9-8-15-27(5)23(20) 12-16-26(27,4)14-7-6-13-2 5(2,3)30/h10-11,22-24,28- 30H,1,8-9,12,15-18H2,2-5H 3/b20-10+,21-11-/t22-,23+ ,24+,26+,27+/m1/s1; PDMZSGSAGZTHDO-ZDIXCSTHSA-N |
CC1(CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)C #CC#CC(C)(C)O; C[C@@]1(CC[C@@H]\2[C@@]1( CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C )C#CC#CC(C)(C)O; CC(C)(O)C#CC#C[C]1(C)CC [CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C 3=C; CC(C)(O)C#CC#C[C@@]1(C)CC[C@H]2\C(C CC[C@]12C)=C\C=C/3C[C@@H](O)C[C@H](O)C/3 =C |
(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-1,7~{a}-dimethyl-1-(5-methyl-5-oxidanyl-hexa-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
| 24997 |  FO7 CHEMBL4172344 |
1 | C14 H9 Br Cl F3 O4 S | InChI=1S/C14H9BrClF3O4S/c 15-13-10(6-20)12(24(21,22 )14(18)19)2-1-11(13)23-9- 4-7(16)3-8(17)5-9/h1-5,14 ,20H,6H2; GREQBABHNZHCOV-UHFFFAOYSA-N |
OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1[S](=O)( =O)C(F)F; c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br )CO)S(=O)(=O)C(F)F; Brc1c(CO)c(ccc1Oc2cc (Cl)cc(c2)F)S(=O)(=O)C(F)F |
{2-bromo-3-(3-chloro-5-fluorophenoxy)-6-[(difluoromethyl)sulfonyl]phenyl}methanol |
| 24998 |  FO8 CHEMBL4466130 |
4 | C29 H35 N7 O2 | InChI=1S/C29H35N7O2/c37-2 9-26-5-10-30-28(27(26)31- 21-32-29)36-20-23(19-33-3 6)7-12-34-13-8-25(9-14-34 )24-3-1-22(2-4-24)6-11-35 -15-17-38-18-16-35/h1-5,1 0,19-21,25H,6-9,11-18H2,( H,31,32,37); NLYFSJWBMSCWSU-UHFFFAOYSA-N |
c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4 )c5c6c(ccn5)C(=O)NC=N6; O=C1NC=Nc2c(nccc 12)n3cc(CCN4CCC(CC4)c5ccc(CCN6CCOCC6)cc5 )cn3 |
8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 24999 |  FO9 |
5 | C8 H17 N7 O2 S3 | InChI=1S/C8H17N7O2S3/c9-6 (15-20(12,16)17)1-2-18-3- 5-4-19-8(13-5)14-7(10)11/ h19H,1-4H2,(H2,9,15)(H4,1 0,11,14)(H2,12,16,17); YFGRAZUYIUBWJO-UHFFFAOYSA-N |
C1C(=NC(=S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N ; NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)( =O)=O; C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(= O)(=O)N)/N |
famotidine |
| 25000 |  FOA CHEMBL1232797 ZINC000000158555 |
13 | C5 H4 O3 | InChI=1S/C5H4O3/c6-5(7)4- 2-1-3-8-4/h1-3H,(H,6,7); SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
O=C(O)c1occc1; c1cc(oc1)C(=O)O; OC(=O)c1 occc1 |
2-FUROIC ACID |