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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 24401 |  F72 ZINC000096174938 |
2 | C31 H35 N3 O5 S2 | InChI=1S/C31H35N3O5S2/c35 -25-13-7-12-24(17-25)31(3 7)33-28(16-22-8-3-1-4-9-2 2)29(36)20-34(19-23-10-5- 2-6-11-23)41(38,39)26-14- 15-27-30(18-26)40-21-32-2 7/h1,3-4,7-9,12-15,17-18, 21,23,28-29,35-36H,2,5-6, 10-11,16,19-20H2,(H,33,37 )/t28-,29+/m0/s1; ZALSSBYFYBCJII-URLMMPGGSA-N |
c1ccc(cc1)C[C@@H]([C@@H](C[N@](CC2CCCCC2 )S(=O)(=O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc (c5)O; O[C@H](CN(CC1CCCCC1)[S](=O)(=O)c2 ccc3ncsc3c2)[C@H](Cc4ccccc4)NC(=O)c5cccc (O)c5; O[CH](CN(CC1CCCCC1)[S](=O)(=O)c2c cc3ncsc3c2)[CH](Cc4ccccc4)NC(=O)c5cccc(O )c5; c1ccc(cc1)CC(C(CN(CC2CCCCC2)S(=O)(= O)c3ccc4c(c3)scn4)O)NC(=O)c5cccc(c5)O; O =C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC3CC CCC3)S(=O)(=O)c4ccc5ncsc5c4 |
N-{(2S,3R)-4-[(1,3-benzothiazol-6-ylsulfonyl)(cyclohexylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-3-hydroxybenzamide |
| 24402 |  F73 |
0 | C11 H17 N6 O7 P | InChI=1S/C11H17N6O7P/c1-5 (24-25(21,22)23)6(3-18)14 -7(19)2-17-4-13-8-9(17)15 -11(12)16-10(8)20/h4-6,18 H,2-3H2,1H3,(H,14,19)(H2, 21,22,23)(H3,12,15,16,20) /t5-,6-/m1/s1; WFAAGLMOJNVWOI-PHDIDXHHSA-N |
C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2= O)N)OP(=O)(O)O; CC(C(CO)NC(=O)Cn1cnc2c1N =C(NC2=O)N)OP(=O)(O)O; C[CH](O[P](O)(O)= O)[CH](CO)NC(=O)Cn1cnc2C(=O)NC(=Nc12)N; C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1 cnc2C(=O)NC(=Nc12)N |
[(2R,3R)-3-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-4-oxidanyl-butan-2-yl] dihydrogen phosphate |
| 24403 |  F74 |
0 | C10 H13 Cl N5 O7 P | InChI=1S/C10H13ClN5O7P/c1 1-9-13-6-7(14-10(12)15-8( 6)18)16(9)5-1-3(17)4(23-5 )2-22-24(19,20)21/h3-5,17 H,1-2H2,(H2,19,20,21)(H3, 12,14,15,18)/t3-,4+,5+/m0 /s1; GZEVWLMEFXMNBR-VPENINKCSA-N |
C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Cl)C(=O)N =C(N3)N)COP(=O)(O)O)O; C1C(C(OC1n2c3c(nc 2Cl)C(=O)N=C(N3)N)COP(=O)(O)O)O; C1(=O)c 2c(NC(=N1)N)n(c(n2)Cl)C3CC(C(COP(O)(O)=O )O3)O; NC1=NC(=O)c2nc(Cl)n([CH]3C[CH](O) [CH](CO[P](O)(O)=O)O3)c2N1; NC1=NC(=O)c2 nc(Cl)n([C@H]3C[C@H](O)[C@@H](CO[P](O)(O )=O)O3)c2N1 |
8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate) |
| 24404 |  F75 ZINC000001727106 |
0 | C5 H6 N2 O2 S | InChI=1S/C5H6N2O2S/c6-1-4 -7-3(2-10-4)5(8)9/h2H,1,6 H2,(H,8,9); DOIRUXCDSGNCMX-UHFFFAOYSA-N |
NCc1scc(n1)C(O)=O; c1c(nc(s1)CN)C(=O)O | 2-(aminomethyl)-1,3-thiazole-4-carboxylic acid |
| 24405 |  F76 ZINC000009631042 |
1 | C23 H23 N3 O5 S | InChI=1S/C23H23N3O5S/c24- 32(29,30)16-12-10-15(11-1 3-16)25-21(27)14-31-23(28 )22-17-6-2-1-3-8-19(17)26 -20-9-5-4-7-18(20)22/h4-5 ,7,9-13H,1-3,6,8,14H2,(H, 25,27)(H2,24,29,30); CZNAHALNBRNZRG-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)NC(=O)COC(=O)c2c4c(n c3ccccc23)CCCCC4; c1ccc2c(c1)c(c3c(n2)CC CCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC(=O)COC(=O)c2c3CCCCC c3nc4ccccc24)cc1 |
2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate |
| 24406 |  F77 CHEMBL230172 DB07746 ZINC000014965037 |
1 | C16 H16 F N O4 S | InChI=1S/C16H16FNO4S/c1-3 -11-4-9-14(15(10(11)2)16( 19)20)18-23(21,22)13-7-5- 12(17)6-8-13/h4-9,18H,3H2 ,1-2H3,(H,19,20); MGUQWAOYPINSIT-UHFFFAOYSA-N |
CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2 )F; CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C( O)=O)c1C; O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC )c2ccc(F)cc2 |
3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID; 3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID |
| 24407 |  F78 ZINC000096174943 |
2 | C33 H36 N2 O6 S | InChI=1S/C33H36N2O6S/c1-4 1-29-17-19-30(20-18-29)42 (39,40)35(21-9-14-25-10-4 -2-5-11-25)24-32(37)31(22 -26-12-6-3-7-13-26)34-33( 38)27-15-8-16-28(36)23-27 /h2-8,10-13,15-20,23,31-3 2,36-37H,9,14,21-22,24H2, 1H3,(H,34,38)/t31-,32+/m0 /s1; SBQRBWXDIRCEEU-AJQTZOPKSA-N |
COc1ccc(cc1)S(=O)(=O)[N@@](CCCc2ccccc2)C [C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4)O) O; O=S(=O)(N(CCCc1ccccc1)CC(O)C(NC(=O)c2 cccc(O)c2)Cc3ccccc3)c4ccc(OC)cc4; COc1cc c(cc1)S(=O)(=O)N(CCCc2ccccc2)CC(C(Cc3ccc cc3)NC(=O)c4cccc(c4)O)O; COc1ccc(cc1)[S] (=O)(=O)N(CCCc2ccccc2)C[C@@H](O)[C@H](Cc 3ccccc3)NC(=O)c4cccc(O)c4; COc1ccc(cc1)[ S](=O)(=O)N(CCCc2ccccc2)C[CH](O)[CH](Cc3 ccccc3)NC(=O)c4cccc(O)c4 |
3-hydroxy-N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino}-1-phenylbutan-2-yl]benzamide |
| 24408 |  F79 CHEMBL230492 ZINC000014965095 |
1 | C17 H19 F N2 O5 S | InChI=1S/C17H19FN2O5S/c1- 2-11-3-8-14(15(17(21)22)1 6(11)25-10-9-19)20-26(23, 24)13-6-4-12(18)5-7-13/h3 -8,20H,2,9-10,19H2,1H3,(H ,21,22); YLNWNNUWISTBAA-UHFFFAOYSA-N |
CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O )c1OCCN; Fc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)O )c(OCCN)c(cc2)CC; CCc1ccc(c(c1OCCN)C(=O) O)NS(=O)(=O)c2ccc(cc2)F |
2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID |
| 24409 |  F7A ZINC000064746614 |
2 | C20 H14 F3 N O2 | InChI=1S/C20H14F3NO2/c21- 20(22,23)18-12-5-4-11-17( 18)19(25)24-14-7-6-10-16( 13-14)26-15-8-2-1-3-9-15/ h1-13H,(H,24,25); DPQMGAHMROSIOB-UHFFFAOYSA-N |
FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c 2; c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C( F)(F)F |
N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide |
| 24410 |  F7B CHEMBL4241500 ZINC000000106039 |
2 | C9 H7 Cl O S | InChI=1S/C9H7ClOS/c10-6-1 -2-9-7(5-6)8(11)3-4-12-9/ h1-2,5H,3-4H2; OKHUUKHZUNKSQA-UHFFFAOYSA-N |
c1cc2c(cc1Cl)C(=O)CCS2; Clc1ccc2SCCC(=O) c2c1 |
6-chloranyl-2,3-dihydrothiochromen-4-one |
| 24411 |  F7C ZINC000001529657 |
1 | C4 H4 O6 | InChI=1S/C4H4O6/c5-1(3(7) 8)2(6)4(9)10/h1,5H,(H,7,8 )(H,9,10)/t1-/m0/s1; RMHHUKGVZFVHED-SFOWXEAESA-N |
C(C(=O)C(=O)O)(C(=O)O)O; O[C@H](C(O)=O)C (=O)C(O)=O; [C@H](C(=O)C(=O)O)(C(=O)O)O; O[CH](C(O)=O)C(=O)C(O)=O |
(2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid |
| 24412 |  F7D CHEMBL5542657 |
3 | C19 H15 F2 N5 O2 | InChI=1S/C19H15F2N5O2/c1- 4-6-25-11(3)18(28)26(7-5- 2)15-10-22-19(24-17(15)25 )23-12-8-13(20)16(27)14(2 1)9-12/h1-2,8-11,27H,6-7H 2,3H3,(H,22,23,24)/t11-/m 1/s1; KDZIESJUFYBJGD-LLVKDONJSA-N |
CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F )O)F)CC#C; c12N(CC#C)C(=O)C(C)N(CC#C)c1n c(nc2)Nc3cc(F)c(O)c(c3)F; C[CH]1N(CC#C)c 2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#C)C1=O; C[C@H]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)nc c2N(CC#C)C1=O; C[C@@H]1C(=O)N(c2cnc(nc2N 1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C |
(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
| 24413 |  F7E ZINC000008217042 |
4 | C16 H23 N5 O15 P2 | InChI=1S/C16H23N5O15P2/c1 -4-7(22)9(24)11(26)15(33- 4)35-38(30,31)36-37(28,29 )32-2-5-8(23)10(25)14(34- 5)21-3-18-6-12(21)19-16(1 7)20-13(6)27/h3-5,8-11,14 -15,23-26H,2H2,1H3,(H,28, 29)(H,30,31)(H3,17,19,20, 27)/t4-,5-,8-,9+,10-,11+, 14-,15-/m1/s1; PNHLMHWWFOPQLK-BKUUWRAGSA-N |
CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C (C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O; C[C H]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[ CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N) [CH](O)[CH](O)C1=O; C[C@H]1O[C@H](O[P](O )(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[ C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[ C@@H](O)C1=O; C[C@@H]1C(=O)[C@@H]([C@@H] ([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@ H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O )O)O)O |
|
| 24414 |  F7F |
1 | C17 H21 N4 O10 P | InChI=1S/C17H21N4O10P/c1- 7-3-9-10(4-8(7)2)21-17(31 -21)14(18-16(26)19-15(17) 25)20(9)5-11(22)13(24)12( 23)6-30-32(27,28)29/h3-4, 11-13,22-24H,5-6H2,1-2H3, (H,19,25,26)(H2,27,28,29) /t11-,12+,13-,17+,21+/m1/ s1; SBINLJVNHAXUDP-YRTJRJKOSA-N |
Cc1cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P ](O)(O)=O)C3=NC(=O)NC(=O)[C@@]34ON4c2cc1 C; Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N 2CC(C(C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C) N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H ]([C@H](COP(=O)(O)O)O)O)O; Cc1cc2N(C[CH] (O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O) NC(=O)[C]34ON4c2cc1C |
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| 24415 |  F7H |
0 | C13 H17 N3 O4 | InChI=1S/C13H17N3O4/c1-6- 5-16(11(17)15-9(6)14)8-4- 12(18)2-7-3-13(7,19)10(12 )20-8/h5,7-8,10,18-19H,2- 4H2,1H3,(H2,14,15,17)/t7- ,8-,10+,12+,13-/m1/s1; GKRDGXCEGWQOOW-ZIDZYHNGSA-N |
CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O; CC1=CN([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O )[C@H]3O2)C(=O)N=C1N; CC1=CN([CH]2C[C]3( O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N; CC1= CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@ ]4([C@H]3O2)O)O |
4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
| 24416 |  F7I CHEMBL5204528 |
4 | C24 H23 N5 O3 | InChI=1S/C24H23N5O3/c30-2 4(26-15-17-4-2-1-3-5-17)1 9-7-6-18-14-21(19)32-13-1 2-31-11-9-25-22-8-10-29-2 3(28-22)20(18)16-27-29/h1 -8,10,14,16H,9,11-13,15H2 ,(H,25,28)(H,26,30); QUXWMXHXYXTBRA-UHFFFAOYSA-N |
c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5 c(c3cn5)n4; O=C(NCc1ccccc1)c2ccc3cc2OCCO CCNc4ccn5ncc3c5n4 |
~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide |
| 24417 |  F7J CHEMBL4290728 |
1 | C29 H32 N4 O2 | InChI=1S/C29H32N4O2/c1-19 -25(31-28(34)23-9-5-6-20( 16-23)17-30)10-11-26-27(1 9)24(18-32(26)2)21-12-14- 33(15-13-21)29(35)22-7-3- 4-8-22/h5-6,9-11,16,18,21 -22H,3-4,7-8,12-15H2,1-2H 3,(H,31,34); HQKLWNNRWVVUSC-UHFFFAOYSA-N |
N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CC N(C(C3CCCC3)=O)CC4)c5C; Cc1c(ccc2c1c(cn2 C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5 )C#N; Cn1cc(C2CCN(CC2)C(=O)C3CCCC3)c4c(C )c(NC(=O)c5cccc(c5)C#N)ccc14 |
3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide |
| 24418 |  F7K |
0 | C13 H15 N5 O4 | InChI=1S/C13H15N5O4/c14-1 1-16-8-7(9(19)17-11)15-4- 18(8)6-3-12(20)1-5-2-13(5 ,21)10(12)22-6/h4-6,10,20 -21H,1-3H2,(H3,14,16,17,1 9)/t5-,6-,10+,12+,13-/m1/ s1; AFXULUSIHCQUMJ-CFFIBIDHSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5 C[C]5(O)[CH]4O3; c1nc2c(n1[C@H]3C[C@]4(C [C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@@]4(O)C[ C@@H]5C[C@]5(O)[C@H]4O3; c1nc2c(n1C3CC4( CC5CC5(C4O3)O)O)N=C(NC2=O)N |
2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one |
| 24419 |  F7L |
1 | C14 H20 F N O2 | InChI=1S/C14H20FNO2/c15-1 4-6-2-1-5-12(14)10-18-11- 13(17)9-16-7-3-4-8-16/h1- 2,5-6,13,17H,3-4,7-11H2/t 13-/m0/s1; HWPXULNASVXWSB-ZDUSSCGKSA-N |
O[C@H](COCc1ccccc1F)CN2CCCC2; Fc1ccccc1C OCC(O)CN2CCCC2; c1ccc(c(c1)COC[C@H](CN2C CCC2)O)F; c1ccc(c(c1)COCC(CN2CCCC2)O)F; O[CH](COCc1ccccc1F)CN2CCCC2 |
(2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol |
| 24420 |  F7M CHEMBL4281109 |
2 | C28 H31 N5 O2 | InChI=1S/C28H31N5O2/c1-32 -18-24(20-10-13-33(14-11- 20)28(35)21-5-3-2-4-6-21) 23-16-22(7-8-26(23)32)31- 27(34)25-15-19(17-29)9-12 -30-25/h7-9,12,15-16,18,2 0-21H,2-6,10-11,13-14H2,1 H3,(H,31,34); LRJCIDHTWFKTMZ-UHFFFAOYSA-N |
c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4 )NC(=O)c5cc(ccn5)C#N)C; Cn1cc(c2c1ccc(c2 )NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CC CCC5; Cn1cc(C2CCN(CC2)C(=O)C3CCCCC3)c4cc (NC(=O)c5cc(ccn5)C#N)ccc14 |
4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide |
| 24421 |  F7N |
3 | C24 H35 F3 N3 O3 | InChI=1S/C24H34F3N3O3/c1- 15(2)23(7-4-18(11-23)29-2 0-6-9-33-14-21(20)32-3)22 (31)30-8-5-19-16(13-30)10 -17(12-28-19)24(25,26)27/ h10,12,15,18,20-21,29H,4- 9,11,13-14H2,1-3H3/p+1/t1 8-,20+,21-,23+/m1/s1; MTMDXAIUENDNDL-RJSMDTJLSA-O |
CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3C Cc4c(cc(cn4)C(F)(F)F)C3; CO[CH]1COCC[CH] 1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4n cc(cc4C3)C(F)(F)F; CC(C)[C@@]1(CC[C@H](C 1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c( cc(cn4)C(F)(F)F)C3; CO[C@@H]1COCC[C@@H]1 [NH2+][C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCc 4ncc(cc4C3)C(F)(F)F |
[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium |
| 24422 |  F7O |
0 | C10 H15 N6 O6 P | InChI=1S/C10H15N6O6P/c11- 9-8-10(13-4-12-9)16(5-14- 8)1-7(18)15-6(2-17)3-22-2 3(19,20)21/h4-6,17H,1-3H2 ,(H,15,18)(H2,11,12,13)(H 2,19,20,21)/t6-/m1/s1; QTPOROPTULPLNT-ZCFIWIBFSA-N |
c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O )(O)O)N; Nc1ncnc2n(CC(=O)N[CH](CO)CO[P]( O)(O)=O)cnc12; c1nc(c2c(n1)n(cn2)CC(=O)N C(CO)COP(=O)(O)O)N; Nc1ncnc2n(CC(=O)N[C@ H](CO)CO[P](O)(O)=O)cnc12 |
[(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| 24423 |  F7P |
0 | C16 H22 N2 O3 | InChI=1S/C16H22N2O3/c1-10 (19)16(2,3)18-9-11(8-13(1 7)15(20)21)12-6-4-5-7-14( 12)18/h4-7,9-10,13,19H,8, 17H2,1-3H3,(H,20,21)/t10- ,13+/m1/s1; AMVINRFZGUCXTO-MFKMUULPSA-N |
C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(= O)O)N)O; C[C@@H](O)C(C)(C)n1cc(C[C@H](N) C(O)=O)c2ccccc12; C(C(N)C(O)=O)c2c1ccccc 1n(c2)C(C(C)O)(C)C; C[CH](O)C(C)(C)n1cc( C[CH](N)C(O)=O)c2ccccc12; CC(C(C)(C)n1cc (c2c1cccc2)CC(C(=O)O)N)O |
1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan |
| 24424 |  F7Q |
0 | C9 H11 N O5 | InChI=1S/C9H11NO5/c10-7(8 (12)13)5-9(15-14)3-1-6(11 )2-4-9/h1-4,7,14H,5,10H2, (H,12,13)/t7-/m0/s1; ASMCASJKXVEEBU-ZETCQYMHSA-N |
C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO; N[C@ @H](CC1(OO)C=CC(=O)C=C1)C(O)=O; C1=CC(C= CC1=O)(CC(C(=O)O)N)OO; N[CH](CC1(OO)C=CC (=O)C=C1)C(O)=O |
(2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid |
| 24425 |  F7R |
0 | C9 H15 N4 O7 P | InChI=1S/C9H15N4O7P/c10-7 -1-2-13(9(16)12-7)3-8(15) 11-6(4-14)5-20-21(17,18)1 9/h1-2,6,14H,3-5H2,(H,11, 15)(H2,10,12,16)(H2,17,18 ,19)/t6-/m1/s1; WZINKHQUEQYIEP-ZCFIWIBFSA-N |
C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O) (O)O; NC1=NC(=O)N(CC(=O)N[C@H](CO)CO[P]( O)(O)=O)C=C1; C1=CN(C(=O)N=C1N)CC(=O)NC( CO)COP(=O)(O)O; NC1=NC(=O)N(CC(=O)N[CH]( CO)CO[P](O)(O)=O)C=C1 |
[(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| 24426 |  F7S |
0 | C7 H15 N O3 | InChI=1S/C7H15NO3/c1-5(4- 9)3-6(8-2)7(10)11/h5-6,8- 9H,3-4H2,1-2H3,(H,10,11)/ t5-,6-/m0/s1; CVXBLRFZEQMDMI-WDSKDSINSA-N |
CN[CH](C[CH](C)CO)C(O)=O; CNC(CC(C)CO)C( O)=O; C[C@@H](C[C@@H](C(=O)O)NC)CO; CN[C @@H](C[C@H](C)CO)C(O)=O; CC(CC(C(=O)O)NC )CO |
(4S)-5-hydroxy-N-methyl-L-leucine |
| 24427 |  F7T |
1 | C15 H15 Cl2 N3 O3 Pt S | InChI=1S/C15H15N3O3S.2ClH .Pt/c19-22(20,21)11-5-10- 18-14-8-2-1-6-12(14)17-15 (18)13-7-3-4-9-16-13;;;/h 1-4,6-9H,5,10-11H2,(H,19, 20,21);2*1H;/q;;;+4/p-2; IZMHGJJPSRRFIR-UHFFFAOYSA-L |
c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)( Cl)Cl)CCCS(=O)(=O)O; O[S](=O)(=O)CCCn1c2 ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl; O=S (=O)(O)CCCn1c2ccccc2[n+]2c1c1cccc[n+]1[P t]2(Cl)Cl |
alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex |
| 24428 |  F7U |
0 | C10 H14 N6 O4 | InChI=1S/C10H14N6O4/c11-1 0-14-8-7(9(20)15-10)12-4- 16(8)1-6(19)13-5(2-17)3-1 8/h4-5,17-18H,1-3H2,(H,13 ,19)(H3,11,14,15,20); WJAFTVKFSUWOIX-UHFFFAOYSA-N |
NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1; c1n c2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N |
2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide |
| 24429 |  F7V ZINC000005132862 |
0 | C6 H11 N O2 | InChI=1S/C6H11NO2/c1-2-3- 4-5(7)6(8)9/h2-3,5H,4,7H2 ,1H3,(H,8,9)/b3-2+/t5-/m0 /s1; OPOBBDXDRHKTJF-HRJJCQLASA-N |
C/C=C/C[C@@H](C(=O)O)N; CC=CC[CH](N)C(O) =O; CC=CCC(C(=O)O)N; NC(C(O)=O)C\C=C\C; C/C=C/C[C@H](N)C(O)=O |
(2S,4E)-2-aminohex-4-enoic acid |
| 24430 |  F7W CHEMBL145559 |
0 | C11 H11 F N2 O2 | InChI=1S/C11H11FN2O2/c12- 8-3-1-2-7-6(5-14-10(7)8)4 -9(13)11(15)16/h1-3,5,9,1 4H,4,13H2,(H,15,16)/t9-/m 0/s1; ADMHYWIKJSPIGJ-VIFPVBQESA-N |
c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N; N[C@@H ](Cc1c[nH]c2c(F)cccc12)C(O)=O; c1cc2c(c[ nH]c2c(c1)F)C[C@@H](C(=O)O)N; N[CH](Cc1c [nH]c2c(F)cccc12)C(O)=O |
7-Fluorotryptophan |
| 24431 |  F7X |
0 | C10 H15 N6 O7 P | InChI=1S/C10H15N6O7P/c11- 10-14-8-7(9(19)15-10)12-4 -16(8)1-6(18)13-5(2-17)3- 23-24(20,21)22/h4-5,17H,1 -3H2,(H,13,18)(H2,20,21,2 2)(H3,11,14,15,19)/t5-/m1 /s1; UGPARWCAUBOAFC-RXMQYKEDSA-N |
c1nc2c(n1CC(=O)NC(CO)COP(=O)(O)O)N=C(NC2 =O)N; NC1=Nc2n(CC(=O)N[C@H](CO)CO[P](O)( O)=O)cnc2C(=O)N1; c1nc2c(n1CC(=O)N[C@H]( CO)COP(=O)(O)O)N=C(NC2=O)N; NC1=Nc2n(CC( =O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1 |
[(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate |
| 24432 |  F7Z |
2 | C29 H38 N2 O5 | InChI=1S/C29H38N2O5/c1-3- 16-14(2)12-18-19-13-15-9- 10-21(32)25-26(34)20(31-2 9(25)35)7-5-11-30-22(33)8 -4-6-17(15)24(19)28-27(36 -28)23(16)18/h4,8-10,14-2 0,23-24,27-28,32H,3,5-7,1 1-13H2,1-2H3,(H,30,33)(H, 31,35)/b8-4-,10-9+,25-21- /t14-,15-,16-,17+,18-,19- ,20+,23+,24-,27-,28+/m1/s 1; XVOOQLPJKAEVAZ-CGBNOSMTSA-N |
CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C (=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[ CH]6[CH]12)C5=O)O; CC[C@@H]1[C@H](C)C[C@ @H]2[C@H]3C[C@H]4/C=C/C(=C5/C(=O)N[C@@H] (CCCNC(=O)\C=C/C[C@@H]4[C@H]3[C@@H]6O[C@ @H]6[C@@H]12)C5=O)O; CCC1C(CC2C1C3C(O3)C 4C2CC5C4CC=CC(=O)NCCCC6C(=O)C(=C(C=C5)O) C(=O)N6)C; CC[C@@H]1[C@@H](C[C@H]2[C@H]1 [C@@H]3[C@@H](O3)[C@H]4[C@@H]2C[C@@H]/5[ C@@H]4C/C=C\C(=O)NCCC[C@H]6C(=O)/C(=C(\C =C5)/O)/C(=O)N6)C |
(1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione; epoxyikarugamycin |
| 24433 |  F80 CHEMBL4741874 |
2 | C19 H25 N5 O | InChI=1S/C19H25N5O/c1-13- 11-18(20-2)24-19(22-13)23 -15-6-7-17(25-3)16(12-15) 14-5-4-9-21-10-8-14/h6-8, 11-12,21H,4-5,9-10H2,1-3H 3,(H2,20,22,23,24); JOHUZOVWSNNWQZ-UHFFFAOYSA-N |
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1 ; Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC) NC |
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine |
| 24434 |  F81 ZINC000012359068 |
1 | C7 H7 Br O2 | InChI=1S/C7H7BrO2/c1-10-6 -4-2-3-5(8)7(6)9/h2-4,9H, 1H3; WEUFQISIJPSTBM-UHFFFAOYSA-N |
COc1cccc(c1O)Br; c1(c(cccc1OC)Br)O; COc1 cccc(Br)c1O |
2-bromo-6-methoxyphenol |
| 24435 |  F82 CHEMBL4212563 |
3 | C25 H27 N5 O5 | InChI=1S/C25H27N5O5/c1-15 (2)30-13-17(12-28-30)29-2 4(31)8-16-6-7-18(9-21(16) 32-3)35-25-19-10-22(33-4) 23(34-5)11-20(19)26-14-27 -25/h6-7,9-15H,8H2,1-5H3, (H,29,31); INYIBEJMXPAZLV-UHFFFAOYSA-N |
CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc (c(cc4ncn3)OC)OC; COc1cc(Oc2ncnc3cc(OC)c (OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C |
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide |
| 24436 |  F83 DB07747 ZINC000013607010 |
4 | C16 H17 Cl N2 O3 S | InChI=1S/C16H17ClN2O3S/c1 7-13-2-4-14(5-3-13)19-23( 21,22)16-6-1-11-7-15(10-2 0)18-9-12(11)8-16/h1-6,8, 15,18-20H,7,9-10H2/t15-/m 1/s1; YTBGBMPLINFTBQ-OAHLLOKOSA-N |
OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(C l)cc3; c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC (C3)CO)Cl; Clc1ccc(cc1)NS(=O)(=O)c2ccc3c (c2)CNC(C3)CO; c1cc(ccc1NS(=O)(=O)c2ccc3 c(c2)CN[C@H](C3)CO)Cl; OC[C@H]1Cc2ccc(cc 2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3 |
(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE; 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE |
| 24437 |  F85 CHEMBL3322301 ZINC000095920971 |
1 | C18 H26 N2 O7 | InChI=1S/C18H26N2O7/c1-18 (2,3)10-6-4-9(5-7-10)15(2 5)19-17(26)20-16-14(24)13 (23)12(22)11(8-21)27-16/h 4-7,11-14,16,21-24H,8H2,1 -3H3,(H2,19,20,25,26)/t11 -,12-,13+,14-,16-/m1/s1; VMCPCJUGMOJLFS-XYFZXANASA-N |
O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2 )C(C)(C)C; CC(C)(C)c1ccc(cc1)C(=O)NC(=O) NC2C(C(C(C(O2)CO)O)O)O; CC(C)(C)c1ccc(cc 1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH]( O)[CH]2O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N [C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O) O)O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@@H ]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O |
N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine |
| 24438 |  F86 |
2 | C12 H14 N5 O7 P | InChI=1S/C12H14N5O7P/c13- 4-12(8-2-1-6-11(14)15-5-1 6-17(6)8)10(19)9(18)7(24- 12)3-23-25(20,21)22/h1-2, 5,7,9-10,18-19H,3H2,(H2,1 4,15,16)(H2,20,21,22)/t7- ,9-,10-,12+/m1/s1; ZBHOHJWLOOFLMW-LTGWCKQJSA-N |
OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)n cnn21; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O) (O)=O)[CH](O)[CH]3O)C#N; c1cc(n2c1c(ncn2 )N)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N; c1cc (n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H]( O3)COP(=O)(O)O)O)O)C#N; Nc1ncnn2c1ccc2[C @@]3(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] 3O)C#N |
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; Remdesivir, bound form |
| 24439 |  F87 CHEMBL5532198 |
3 | C21 H23 F2 N5 O2 | InChI=1S/C21H23F2N5O2/c1- 5-7-28-17-11-24-21(25-14- 9-15(22)18(29)16(23)10-14 )26-19(17)27(8-6-12(2)3)1 3(4)20(28)30/h1,9-13,29H, 6-8H2,2-4H3,(H,24,25,26)/ t13-/m1/s1; IHZPRIAIJQSUAF-CYBMUJFWSA-N |
CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc( F)c(O)c(F)c3)nc12; n2cc1N(C(=O)C(C)N(c1n c2Nc3cc(F)c(O)c(c3)F)CCC(C)C)CC#C; CC1C( =O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O )F)CC#C; C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C )C)Nc3cc(c(c(c3)F)O)F)CC#C; CC(C)CCN1[C@ H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c 3)nc12 |
(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
| 24440 |  F88 CHEMBL4213606 |
3 | C23 H23 N5 O4 | InChI=1S/C23H23N5O4/c1-4- 28-13-15(12-26-28)9-22(29 )27-16-5-7-17(8-6-16)32-2 3-18-10-20(30-2)21(31-3)1 1-19(18)24-14-25-23/h5-8, 10-14H,4,9H2,1-3H3,(H,27, 29); LQRLWWAVCUCERB-UHFFFAOYSA-N |
CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc 4ncn3)OC)OC; CCn1cc(CC(=O)Nc2ccc(Oc3ncnc 4cc(OC)c(OC)cc34)cc2)cn1 |
~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide |
| 24441 |  F89 CHEMBL169896 ZINC000003871820 |
22 | C27 H24 N4 O6 | InChI=1S/C27H24N4O6/c1-14 -29-21-7-4-16-3-2-15(10-2 0(16)24(21)25(34)30-14)12 -28-18-5-6-19-17(11-18)13 -31(26(19)35)22(27(36)37) 8-9-23(32)33/h2-7,10-11,2 2,28H,8-9,12-13H2,1H3,(H, 32,33)(H,36,37)(H,29,30,3 4)/t22-/m0/s1; BRVFNEZMTRVUGW-QFIPXVFZSA-N |
CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4 )CN(C5=O)[C@@H](CCC(=O)O)C(=O)O; CC1=Nc2 ccc3ccc(CNc4ccc5c(CN([C@@H](CCC(O)=O)C(O )=O)C5=O)c4)cc3c2C(=O)N1; CC1=Nc2ccc3ccc (cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)C(CCC (=O)O)C(=O)O; CC1=Nc2ccc3ccc(CNc4ccc5c(C N([CH](CCC(O)=O)C(O)=O)C5=O)c4)cc3c2C(=O )N1; O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c( ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O |
S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID; FOLATE ANALOG 1843U89 |
| 24442 |  F8A CHEMBL474942 ZINC000034096411 |
1 | C21 H18 F3 N O2 | InChI=1S/C21H18F3NO2/c22- 21(23,24)17-10-3-1-6-13(1 7)12-25-18-11-4-2-7-14(18 )15-8-5-9-16(19(15)25)20( 26)27/h1,3,5-6,8-10H,2,4, 7,11-12H2,(H,26,27); XAYKLHUEULGGGJ-UHFFFAOYSA-N |
c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC 3)C(F)(F)F; FC(F)(F)c1ccccc1Cn3c2c(C(=O) O)cccc2c4c3CCCC4; OC(=O)c1cccc2c3CCCCc3n (Cc4ccccc4C(F)(F)F)c12 |
9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid |
| 24443 |  F8B CHEMBL4214769 |
3 | C23 H24 N6 O4 | InChI=1S/C23H24N6O4/c1-14 (2)19-11-29(28-27-19)12-2 2(30)26-15-5-7-16(8-6-15) 33-23-17-9-20(31-3)21(32- 4)10-18(17)24-13-25-23/h5 -11,13-14H,12H2,1-4H3,(H, 26,30); VOSCKXNNVDOPMN-UHFFFAOYSA-N |
CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c (cc4ncn3)OC)OC; COc1cc2ncnc(Oc3ccc(NC(=O )Cn4cc(nn4)C(C)C)cc3)c2cc1OC |
~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide |
| 24444 |  F8C |
4 | C26 H44 N4 O9 S | InChI=1S/C26H44N4O9S/c1-1 5(2)11-19(22(32)28-20(24( 34)40(36,37)38)12-17-5-8- 27-21(17)31)29-25(35)39-1 8-13-26(14-18)6-9-30(10-7 -26)23(33)16(3)4/h15-20,2 4,34H,5-14H2,1-4H3,(H,27, 31)(H,28,32)(H,29,35)(H,3 6,37,38)/t17-,19-,20-,24- /m0/s1; SQVQHYGKQGMSJR-CDSYHYPYSA-N |
CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O) O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C; O= C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CC N(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O; CC(C )C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C 1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O) (=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H ]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2C C3(C2)CCN(CC3)C(=O)C(C)C; CC(C)C[C@H](NC (=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(=O)N[ C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[S](O)(=O )=O |
(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 24445 |  F8D |
2 | C13 H14 Cl N O3 | InChI=1S/C13H14ClNO3/c1-7 (17)15-5-8(6-16)13-12(15) 10-4-9(14)2-3-11(10)18-13 /h2-4,8,12-13,16H,5-6H2,1 H3/t8-,12-,13-/m0/s1; MATFGXSXXCCYSM-HJIKLVIJSA-N |
CC(=O)N1CC(C2C1c3cc(ccc3O2)Cl)CO; CC(=O) N1C[CH](CO)[CH]2Oc3ccc(Cl)cc3[CH]12; CC( =O)N1C[C@@H](CO)[C@@H]2Oc3ccc(Cl)cc3[C@H ]12; c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO; CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2 )Cl)CO |
1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one |
| 24446 |  F8E CHEMBL4517951 ZINC000095921299 |
2 | C14 H11 Br N4 O2 | InChI=1S/C14H11BrN4O2/c1- 21-14(20)10-6-8(2-3-11(10 )15)19-13-9-4-5-16-12(9)1 7-7-18-13/h2-7H,1H3,(H2,1 6,17,18,19); YHDDNFHODNKNQV-UHFFFAOYSA-N |
COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2; CO C(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br; O=C( OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3 |
methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate |
| 24447 |  F8F |
1 | C6 H11 N O6 | InChI=1S/C6H11NO6/c7-1-2( 8)3(9)4(5(10)11)13-6(1)12 /h1-4,6,8-9,12H,7H2,(H,10 ,11)/t1-,2-,3+,4-,6-/m0/s 1; CRIPFXSBMSGPKB-WAXACMCWSA-N |
N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O; [C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N; N[ C@@H]1[C@@H](O)O[C@@H]([C@H](O)[C@H]1O)C (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N |
(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
| 24448 |  F8G |
4 | C32 H48 N7 O20 P3 S | InChI=1S/C32H48N7O20P3S/c 1-16-4-5-17(40)21(32(16)8 -6-20(42)57-32)30(46)63-1 1-10-34-19(41)7-9-35-28(4 5)25(44)31(2,3)13-55-62(5 2,53)59-61(50,51)54-12-18 -24(58-60(47,48)49)23(43) 29(56-18)39-15-38-22-26(3 3)36-14-37-27(22)39/h14-1 6,18,23-25,29,40,43-44H,4 -13H2,1-3H3,(H,34,41)(H,3 5,45)(H,50,51)(H,52,53)(H 2,33,36,37)(H2,47,48,49)/ t16-,18-,23-,24-,25+,29-, 32-/m1/s1; COMHLEMSBYWTLA-LJKJHTHQSA-N |
C[C@@H]1CCC(=C(C(=O)SCCNC(=O)CCNC(=O)[C@ H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@ H]2O[C@H]([C@H](O)[C@@H]2O[P](O)(O)=O)n3 cnc4c(N)ncnc34)[C@@]15CCC(=O)O5)O; CC1CC C(=C(C12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O) C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3 )n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O; C[CH]1 CCC(=C(C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C) (C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([ CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34 )[C]15CCC(=O)O5)O; C[C@@H]1CCC(=C([C@@]1 2CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H]( C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H] ([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O) (O)O)O)O; c12n(cnc1c(N)ncn2)C3OC(C(C3O)O P(O)(=O)O)COP(OP(OCC(C(C(NCCC(NCCSC(C4=C (CCC(C45CCC(O5)=O)C)O)=O)=O)=O)O)(C)C)(O )=O)(=O)O |
S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name) |
| 24449 |  F8H CHEMBL4216473 |
2 | C24 H26 F N7 O3 | InChI=1S/C24H26FN7O3/c1-1 5(2)21-12-32(31-30-21)13- 22(33)28-16-4-6-17(7-5-16 )29-24-23-19(25)10-18(35- 9-8-34-3)11-20(23)26-14-2 7-24/h4-7,10-12,14-15H,8- 9,13H2,1-3H3,(H,28,33)(H, 26,27,29); FLJOFQUXYAWOPE-UHFFFAOYSA-N |
COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C (C)C)cc3)ncnc2c1; CC(C)c1cn(nn1)CC(=O)Nc 2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3 |
~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide |
| 24450 |  F8I CHEMBL5087558 |
2 | C21 H25 N5 O3 | InChI=1S/C21H25N5O3/c1-21 (2,3)25-20(27)15-5-4-14-1 2-17(15)29-11-10-28-9-7-2 2-18-6-8-26-19(24-18)16(1 4)13-23-26/h4-6,8,12-13H, 7,9-11H2,1-3H3,(H,22,24)( H,25,27); YCFFONJEHNSECY-UHFFFAOYSA-N |
CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c 2cn4)n3; CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc 3ccn4ncc2c4n3 |
~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide |
| 24451 |  F8J CHEMBL4172762 |
4 | C30 H39 N7 O S | InChI=1S/C30H39N7OS/c1-21 (2)33-29(38)20-37-19-23(1 8-36-14-12-35(3)13-15-36) 26-9-8-24(16-28(26)37)34- 30(39)31-11-10-22-17-32-2 7-7-5-4-6-25(22)27/h4-9,1 6-17,19,21,32H,10-15,18,2 0H2,1-3H3,(H,33,38)(H2,31 ,34,39); DCSGGGDRUYCRAM-UHFFFAOYSA-N |
CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c3ccc(NC(= S)NCCc4c[nH]c5ccccc45)cc13; CC(C)NC(=O)C n1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc 4)CN5CCN(CC5)C; n1(c3cc(ccc3c(c1)CN2CCN( C)CC2)NC(=S)NCCc4cnc5ccccc45)CC(=O)NC(C) C |
2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide |
| 24452 |  F8K |
4 | C23 H27 N2 O2 | InChI=1S/C23H26N2O2/c1-25 (2)16-17-8-11-20(12-9-17) 24-22-13-10-19(15-23(22)2 7-4)18-6-5-7-21(14-18)26- 3/h5-15,24H,16H2,1-4H3/p+ 1; SVFQGOYYBWCBTN-UHFFFAOYSA-O |
COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3) c(OC)c2; C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2O C)c3cccc(c3)OC |
[4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium |
| 24453 |  F8L |
3 | C55 H91 O8 P | InChI=1S/C55H91O8P/c1-42( 2)21-12-22-43(3)23-13-24- 44(4)25-14-26-45(5)27-15- 28-46(6)29-16-30-47(7)31- 17-32-48(8)33-18-34-49(9) 35-19-36-50(10)37-20-38-5 1(11)39-40-61-64(59,60)63 -55-54(58)53(57)52(41-56) 62-55/h21,23,25,27,29,31, 33,35,37,39,52-58H,12-20, 22,24,26,28,30,32,34,36,3 8,40-41H2,1-11H3,(H,59,60 )/b43-23?,44-25?,45-27-,4 6-29-,47-31+,48-33-,49-35 +,50-37+,51-39-/t52-,53-, 54+,55+/m1/s1; YRIPSPRNAZBQAG-KAKITAEPSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O; CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC( =CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O 1)CO)O)O)C)C)C)C)C)C)C)C)C)C; CC(C)=CCCC (C)=CCCC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C) =C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C) =C/CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H]( O)[C@@H]1O; CC(=CCCC(=CCCC(=CCC/C(=C\CC/ C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/ C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H] (O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C |
[(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate |
| 24454 |  F8M CHEMBL4287613 |
1 | C18 H19 N3 O4 | InChI=1S/C18H19N3O4/c1-21 (2)7-3-4-10-5-6-14-11(8-1 0)15(22)12-9-13(18(23)24) 16(19)20-17(12)25-14/h5-6 ,8-9H,3-4,7H2,1-2H3,(H2,1 9,20)(H,23,24); UFHZMIKXSGTKFX-UHFFFAOYSA-N |
CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O )=O; CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O 2)N)C(=O)O; CN(C)CCCc3ccc1c(C(c2c(O1)nc( c(c2)C(O)=O)N)=O)c3 |
2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid; 7-[3-(dimethylamino)propyl] Analog of Amlexanox |
| 24455 |  F8N ZINC000257212022 |
4 | C26 H31 N3 O3 | InChI=1S/C26H31N3O3/c1-31 -24-8-3-7-23(18-24)22-6-2 -5-21(17-22)19-26(9-15-32 -16-10-26)25(30)28-11-4-1 3-29-14-12-27-20-29/h2-3, 5-8,12,14,17-18,20H,4,9-1 1,13,15-16,19H2,1H3,(H,28 ,30); CBOYVLWCZVCRSZ-UHFFFAOYSA-N |
COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NC CCn4ccnc4; COc1cccc(c1)c2cccc(CC3(CCOCC3 )C(=O)NCCCn4ccnc4)c2 |
~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide |
| 24456 |  F8O ZINC000039017598 |
1 | C10 H20 O2 | InChI=1S/C10H20O2/c1-4-5- 6-8(2)7-9(3)10(11)12/h8-9 H,4-7H2,1-3H3,(H,11,12)/t 8-,9-/m1/s1; BBRLCIVWEAHSPK-RKDXNWHRSA-N |
CCCC[C@@H](C)C[C@@H](C)C(O)=O; CCCC[C@@H ](C)C[C@@H](C)C(=O)O; CCCCC(C)CC(C)C(=O) O; CCCC[CH](C)C[CH](C)C(O)=O |
(2~{R},4~{R})-2,4-dimethyloctanal |
| 24457 |  F8P CHEMBL4277066 |
1 | C19 H16 F2 N2 O4 | InChI=1S/C19H16F2N2O4/c20 -19(21)5-3-9(4-6-19)10-1- 2-14-11(7-10)15(24)12-8-1 3(18(25)26)16(22)23-17(12 )27-14/h1-2,7-9H,3-6H2,(H 2,22,23)(H,25,26); YBTHXDAXRWKGKS-UHFFFAOYSA-N |
Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F )(F)CC4; c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F )cc2C3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCC(CC 3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O |
2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid; 7-(4,4-difluorocyclohexyl) Analog of Amlexanox |
| 24458 |  F8Q |
5 | C23 H26 F N2 O2 | InChI=1S/C23H25FN2O2/c1-2 6(2)15-16-8-10-18(11-9-16 )25-21-13-12-20(22(24)23( 21)28-4)17-6-5-7-19(14-17 )27-3/h5-14,25H,15H2,1-4H 3/p+1; VDMBGVBPYJVMMO-UHFFFAOYSA-O |
C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cc cc(c3)OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+ ](C)C)cc3)c(OC)c2F |
[4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium |
| 24459 |  F8R CHEMBL5596270 |
1 | C28 H33 N7 O4 S | InChI=1S/C28H33N7O4S/c1-1 7(2)40(37,38)24-9-7-6-8-1 9(24)30-27-26-20(10-12-29 -26)31-28(33-27)32-21-15- 22-18(14-23(21)39-5)11-13 -35(22)25(36)16-34(3)4/h6 -10,12,14-15,17,29H,11,13 ,16H2,1-5H3,(H2,30,31,32, 33); HTWIYZGXLMTRHE-UHFFFAOYSA-N |
COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccc cc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3; CC(C)S (=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4 cc5c(cc4OC)CCN5C(=O)CN(C)C |
2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone |
| 24460 |  F8S CHEMBL4282790 |
1 | C18 H16 N2 O6 S | InChI=1S/C18H16N2O6S/c19- 16-13(18(22)23)8-12-15(21 )11-7-10(1-2-14(11)26-17( 12)20-16)9-3-5-27(24,25)6 -4-9/h1-2,7-9H,3-6H2,(H2, 19,20)(H,22,23); YLXHHSZCWBYDQH-UHFFFAOYSA-N |
c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C 3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCS(=O)(=O) CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O; Nc1nc2Oc 3ccc(cc3C(=O)c2cc1C(O)=O)C4CC[S](=O)(=O) CC4 |
2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid; 7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox |
| 24461 |  F8T |
4 | C22 H25 N2 O | InChI=1S/C22H24N2O/c1-24( 2)16-17-7-11-20(12-8-17)2 3-21-13-9-18(10-14-21)19- 5-4-6-22(15-19)25-3/h4-15 ,23H,16H2,1-3H3/p+1; QEGGQWLIQSTRCS-UHFFFAOYSA-O |
C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3 )OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C )cc3)cc2 |
[4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium |
| 24462 |  F8U |
1 | C4 H10 O8 S2 | InChI=1S/C4H10O8S2/c5-3(1 -13(7,8)9)4(6)2-14(10,11) 12/h3-6H,1-2H2,(H,7,8,9)( H,10,11,12)/t3-,4-/m0/s1; HLYMICSVYBDBOV-IMJSIDKUSA-N |
C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O) O; O[C@@H](C[S](O)(=O)=O)[C@@H](O)C[S](O )(=O)=O; C(C(C(CS(=O)(=O)O)O)O)S(=O)(=O) O; O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O )=O |
(2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid |
| 24463 |  F8V CHEMBL4215228 |
1 | C35 H35 F N8 O2 S | InChI=1S/C35H35FN8O2S/c1- 47-35(34(46)39-27-9-12-30 -29(21-27)32(41-40-30)24- 3-7-26(36)8-4-24)13-16-42 (23-35)22-31(45)44-19-17- 43(18-20-44)28-10-5-25(6- 11-28)33-37-14-2-15-38-33 /h2-12,14-15,21H,13,16-20 ,22-23H2,1H3,(H,39,46)(H, 40,41)/t35-/m0/s1; MRHUCFAJTNKMCG-DHUJRADRSA-N |
CS[C]1(CCN(CC(=O)N2CCN(CC2)c3ccc(cc3)c4n cccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(F)cc7) c6c5; CS[C@]1(CCN(CC(=O)N2CCN(CC2)c3ccc( cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc (F)cc7)c6c5; CSC1(CCN(C1)CC(=O)N2CCN(CC2 )c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n [nH]6)c7ccc(cc7)F; O=C(N1CCN(CC1)c2ccc(c c2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c 5ccc(cc5)F)nnc6cc7; CS[C@]1(CCN(C1)CC(=O )N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5cc c6c(c5)c(n[nH]6)c7ccc(cc7)F |
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide |
| 24464 |  F8W ZINC000085772570 |
6 | C34 H50 N6 O11 | InChI=1S/C34H50N6O11/c41- 25-9-7-23(19-27(25)43)31( 47)39-17-5-13-35-11-1-3-1 5-37-29(45)21-34(51,33(49 )50)22-30(46)38-16-4-2-12 -36-14-6-18-40-32(48)24-8 -10-26(42)28(44)20-24/h7- 10,19-20,35-36,41-44,51H, 1-6,11-18,21-22H2,(H,37,4 5)(H,38,46)(H,39,47)(H,40 ,48)(H,49,50); GKIMOVAPSAVJHZ-UHFFFAOYSA-N |
c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)N CCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O )O; OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1cc c(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c2ccc(O) c(O)c2 |
|
| 24465 |  F8X |
0 | C6 H11 N O6 | InChI=1S/C6H11NO6/c7-1-2( 8)3(9)4(5(10)11)13-6(1)12 /h1-4,6,8-9,12H,7H2,(H,10 ,11)/t1-,2-,3-,4-,6+/m0/s 1; CRIPFXSBMSGPKB-SYJWYVCOSA-N |
N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O; NC1C(O)C(O)C(C(O)=O)OC1O; [C@@H]1([C@@H ]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N; N[ C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@H]1O)C (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N |
2-amino-2-deoxy-beta-D-altropyranuronic acid |
| 24466 |  F8Y CHEMBL5555299 |
3 | C18 H17 F2 N5 O2 | InChI=1S/C18H17F2N5O2/c1- 4-6-25-14-9-21-18(22-11-7 -12(19)15(26)13(20)8-11)2 3-16(14)24(5-2)10(3)17(25 )27/h1,7-10,26H,5-6H2,2-3 H3,(H,21,22,23)/t10-/m1/s 1; ZPVLKVQCFYVQDJ-SNVBAGLBSA-N |
CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O )C1C)CC#C; c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C (=O)N(c2cn3)CC#C)F)O)F; CCN1c2c(cnc(n2)N c3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C; C CN1[C@H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O )c(F)c3)nc12; CCN1[CH](C)C(=O)N(CC#C)c2c nc(Nc3cc(F)c(O)c(F)c3)nc12 |
(7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
| 24467 |  F8Z CHEMBL3183436 ZINC000095860844 |
2 | C32 H38 N4 O7 | InChI=1S/C32H38N4O7/c1-20 -15-36(21(2)18-37)31(38)2 6-14-24(34-32(39)33-23-6- 9-25(40-4)10-7-23)8-12-27 (26)43-30(20)17-35(3)16-2 2-5-11-28-29(13-22)42-19- 41-28/h5-14,20-21,30,37H, 15-19H2,1-4H3,(H2,33,34,3 9)/t20-,21-,30-/m0/s1; NGRSXEMLDRQNMH-LPBFERMMSA-N |
COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5O COc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1 ; COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4c cc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O) c3c2)cc1; CC1CN(C(=O)c2cc(ccc2OC1CN(C)Cc 3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)C(C)C O; C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)C c3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@ H](C)CO |
1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea |
| 24468 |  F90 CHEMBL1229097 ZINC000004536563 |
4 | C8 H9 Cl N2 S | InChI=1S/C8H9ClN2S/c9-7-3 -1-6(2-4-7)5-12-8(10)11/h 1-4H,5H2,(H3,10,11); YOCWIHYZDHPSHD-UHFFFAOYSA-N |
c1cc(ccc1CSC(=N)N)Cl; [H]/N=C(\N)/SCc1cc c(cc1)Cl; NC(=N)SCc1ccc(Cl)cc1; Clc1ccc( cc1)CSC(=[N@H])N |
4-chlorobenzyl carbamimidothioate |
| 24469 |  F91 CHEMBL1533396 ZINC000000570881 |
6 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c1-2- 13-14(18-8-7-17-13)9-12(1 )16-10-11-3-5-15-6-4-11/h 1-6,9,16H,7-8,10H2; ZEHRBOVXNPCYAK-UHFFFAOYSA-N |
C1COc2cc(NCc3ccncc3)ccc2O1; O1c2c(OCC1)c c(cc2)NCc3ccncc3; c1cc2c(cc1NCc3ccncc3)O CCO2 |
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine |
| 24470 |  F92 CHEMBL319988 |
1 | C19 H20 F N5 O | InChI=1S/C19H20FN5O/c20-1 3-3-1-12(2-4-13)17-18(16- 9-10-22-19(21)24-16)25(11 -23-17)14-5-7-15(26)8-6-1 4/h1-4,9-11,14-15,26H,5-8 H2,(H2,21,22,24)/t14-,15-; YNEJNUAUXPCFAS-SHTZXODSSA-N |
Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[C H](O)CC4; Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3 )[C@H]4CC[C@H](O)CC4; c1cc(ccc1c2c(n(cn2 )C3CCC(CC3)O)c4ccnc(n4)N)F |
4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol |
| 24471 |  F93 |
0 | C9 H10 Cl N O4 | InChI=1S/C9H10ClNO4/c10-5 -3-4(1-2-6(5)12)8(13)7(11 )9(14)15/h1-3,7-8,12-13H, 11H2,(H,14,15)/t7-,8+/m1/ s1; BACZBJKOFPGENQ-SFYZADRCSA-N |
c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O; N[C@H]([C @@H](O)c1ccc(O)c(Cl)c1)C(O)=O; c1cc(c(cc 1[C@@H]([C@H](C(=O)O)N)O)Cl)O; N[CH]([CH ](O)c1ccc(O)c(Cl)c1)C(O)=O |
(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid |
| 24472 |  F94 CHEMBL253786 ZINC000000038935 |
1 | C15 H10 O4 | InChI=1S/C15H10O4/c16-10- 3-1-2-9(6-10)14-8-13(18)1 2-5-4-11(17)7-15(12)19-14 /h1-8,16-17H; DYARIVMCYYQNNQ-UHFFFAOYSA-N |
c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O; O=C 1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3; Oc1ccc 2C(=O)C=C(Oc2c1)c3cccc(O)c3 |
7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one; 7,3-dihydroxyflavone |
| 24473 |  F95 CHEMBL5407516 ZINC000001237931 |
3 | C11 H8 O6 | InChI=1S/C11H8O6/c12-7-2- 1-6-5(3-8(13)14)4-9(15)17 -11(6)10(7)16/h1-2,4,12,1 6H,3H2,(H,13,14); LNRFNPKOQGRTFS-UHFFFAOYSA-N |
O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2; c1c c(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O; OC(=O)C C1=CC(=O)Oc2c(O)c(O)ccc12 |
(7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid |
| 24474 |  F96 |
2 | C21 H22 F N3 O2 | InChI=1S/C21H22FN3O2/c22- 16-4-1-3-14(9-16)15-6-7-1 8-20(10-15)25(13-24-18)12 -17(26)11-19-21(27)5-2-8- 23-19/h1,3-4,6-7,9-10,13, 19,21,23,27H,2,5,8,11-12H 2/t19-,21+/m1/s1; VQOVGCNWRLIDFU-CTNGQTDRSA-N |
c1cc(cc(c1)F)c2ccc3c(c2)n(cn3)CC(=O)C[C@ @H]4[C@H](CCCN4)O; O[C@H]1CCCN[C@@H]1CC( =O)Cn2cnc3ccc(cc23)c4cccc(F)c4; c1cc(cc( c1)F)c2ccc3c(c2)n(cn3)CC(=O)CC4C(CCCN4)O ; O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c 4cccc(F)c4 |
1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one |
| 24475 |  F97 |
5 | C21 H26 F2 N8 | InChI=1S/C21H26F2N8/c1-13 (2)31-17-8-18(25-10-15(17 )11-26-31)28-19-7-16(14-3 -5-24-9-14)27-20(29-19)30 -6-4-21(22,23)12-30/h7-8, 10-11,13-14,24H,3-6,9,12H 2,1-2H3,(H,25,27,28,29)/t 14-/m1/s1; JKPAJCPZQIJPPS-CQSZACIVSA-N |
CC(C)n1ncc2cnc(Nc3cc(nc(n3)N4CCC(F)(F)C4 )[CH]5CCNC5)cc12; CC(C)n1c2cc(ncc2cn1)Nc 3cc(nc(n3)N4CCC(C4)(F)F)C5CCNC5; CC(C)n1 c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[ C@@H]5CCNC5; c21cc(ncc1cnn2C(C)C)Nc4cc(n c(N3CCC(C3)(F)F)n4)C5CCNC5; CC(C)n1ncc2c nc(Nc3cc(nc(n3)N4CCC(F)(F)C4)[C@@H]5CCNC 5)cc12 |
N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine |
| 24476 |  F98 CHEMBL205338 ZINC000003923871 |
5 | C5 H12 N O5 P | InChI=1S/C5H12NO5P/c1-5(7 )6(8)3-2-4-12(9,10)11/h8H ,2-4H2,1H3,(H2,9,10,11); PKMNDDZSIHLLLI-UHFFFAOYSA-N |
O=P(O)(O)CCCN(O)C(=O)C; CC(=O)N(CCCP(=O) (O)O)O; CC(=O)N(O)CCC[P](O)(O)=O |
3-[ethanoyl(hydroxy)amino]propylphosphonic acid |
| 24477 |  F99 |
2 | C16 H20 Cl N3 O2 | InChI=1S/C16H20ClN3O2/c1- 10-12(17)4-5-14-16(10)19- 9-20(14)8-11(21)7-13-15(2 2)3-2-6-18-13/h4-5,9,13,1 5,18,22H,2-3,6-8H2,1H3/t1 3-,15+/m1/s1; QGJXLDZCSUOUAE-HIFRSBDPSA-N |
Cc1c(ccc2c1ncn2CC(=O)C[C@@H]3[C@H](CCCN3 )O)Cl; Cc1c(ccc2c1ncn2CC(=O)CC3C(CCCN3)O )Cl; Cc1c(Cl)ccc2n(CC(=O)C[C@H]3NCCC[C@@ H]3O)cnc12; Cc1c(Cl)ccc2n(CC(=O)C[CH]3NC CC[CH]3O)cnc12 |
1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one |
| 24478 |  F9A ZINC000047452658 |
2 | C17 H17 F3 N2 O | InChI=1S/C17H17F3N2O/c1-2 2(2)11-12-6-5-7-13(10-12) 21-16(23)14-8-3-4-9-15(14 )17(18,19)20/h3-10H,11H2, 1-2H3,(H,21,23); JOBMMUWJHLRXCZ-UHFFFAOYSA-N |
CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F; CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 |
N-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide |
| 24479 |  F9B |
1 | C16 H21 N O4 | InChI=1S/C16H21NO4/c18-9- 13(10-19)17-8-14(20)11-21 -16-7-3-5-12-4-1-2-6-15(1 2)16/h1-7,13-14,17-20H,8- 11H2/t14-/m0/s1; KRBDCALBFRZJTM-AWEZNQCLSA-N |
c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O; OCC (CO)NC[CH](O)COc1cccc2ccccc12; OCC(CO)NC [C@H](O)COc1cccc2ccccc12; c1ccc2c(c1)ccc c2OCC(CNC(CO)CO)O |
2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol |
| 24480 |  F9C |
2 | C15 H19 Br N4 O2 | InChI=1S/C15H19BrN4O2/c1- 9-11(16)6-18-15-14(9)19-8 -20(15)7-10(21)5-12-13(22 )3-2-4-17-12/h6,8,12-13,1 7,22H,2-5,7H2,1H3/t12-,13 +/m1/s1; HASBACODFIEZPY-OLZOCXBDSA-N |
Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc 12; Cc1c(cnc2c1ncn2CC(=O)C[C@@H]3[C@H](C CCN3)O)Br; Cc1c(cnc2c1ncn2CC(=O)CC3C(CCC N3)O)Br; Cc1c(Br)cnc2n(CC(=O)C[C@H]3NCCC [C@@H]3O)cnc12 |
1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one |
| 24481 |  F9D CHEMBL51369 ZINC000001584097 |
0 | C5 H7 N O2 | InChI=1S/C5H7NO2/c1-2-3-4 (6)5(7)8/h1,4H,3,6H2,(H,7 ,8)/t4-/m1/s1; DGYHPLMPMRKMPD-SCSAIBSYSA-N |
C(=O)(O)C(N)CC#C; N[CH](CC#C)C(O)=O; C#C C[C@H](C(=O)O)N; C#CCC(C(=O)O)N; N[C@H]( CC#C)C(O)=O |
(2R)-2-aminopent-4-ynoic acid |
| 24482 |  F9E CHEMBL400177 ZINC000001995484 |
1 | C14 H22 N6 O5 | InChI=1S/C14H22N6O5/c1-7( 2)9(15)13(23)24-4-8(3-21) 25-6-20-5-17-10-11(20)18- 14(16)19-12(10)22/h5,7-9, 21H,3-4,6,15H2,1-2H3,(H3, 16,18,19,22)/t8-,9-/m0/s1; WPVFJKSGQUFQAP-IUCAKERBSA-N |
CC(C)C(C(=O)OCC(CO)OCn1cnc2c1NC(=NC2=O)N )N; CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C (=O)N=C(N)Nc12; CC(C)[C@H](N)C(=O)OC[C@H ](CO)OCn1cnc2C(=O)N=C(N)Nc12; CC(C)[C@@H ](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N) N |
[(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate |
| 24483 |  F9F DB07748 ZINC000016051904 |
42 | C9 H11 F3 N O7 P S | InChI=1S/C9H11F3NO7PS/c10 -9(11,12)20-7-1-3-8(4-2-7 )22(17,18)13-5-6-19-21(14 ,15)16/h1-4,13H,5-6H2,(H2 ,14,15,16); JDDKDMFCTOZVCJ-UHFFFAOYSA-N |
O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F) F)cc1; FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP (=O)(O)O; c1cc(ccc1OC(F)(F)F)S(=O)(=O)NC COP(=O)(O)O |
2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE; N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9 |
| 24484 |  F9G ZINC000002568133 |
1 | C7 H7 Br O2 | InChI=1S/C7H7BrO2/c1-10-7 -3-2-5(8)4-6(7)9/h2-4,9H, 1H3; OLSJHVZRUFFIPL-UHFFFAOYSA-N |
COc1ccc(cc1O)Br; COc1ccc(Br)cc1O; c1(c(c cc(c1)Br)OC)O |
5-bromo-2-methoxyphenol |
| 24485 |  F9H |
14 | C23 H20 F3 N7 O4 | InChI=1S/C23H20F3N7O4/c1- 21(2)11-33(20(36)37-21)22 (18(35)27-19-28-30-31-29- 19)12-32(16-9-4-3-8-15(16 )22)17(34)13-6-5-7-14(10- 13)23(24,25)26/h3-10H,11- 12H2,1-2H3,(H2,27,28,29,3 0,31,35)/t22-/m1/s1; CIOWYUCMYWZPAD-JOCHJYFZSA-N |
CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3) C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5; CC1 (CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc( c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(CN(C (=O)O1)[C@@]2(CN(c3c2cccc3)C(=O)c4cccc(c 4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(C)CN( C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2 ccccc21)C(=O)Nc1nnn[NH]1; CC1(C)CN(C(=O) O1)[C@@]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4c cccc24)C(=O)Nc5[nH]nnn5 |
(3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide |
| 24486 |  F9I |
3 | C35 H49 N3 O23 S2 | InChI=1S/C35H49N3O23S2/c1 -14(40)37-23-19(42)10-35( 34(49)50,60-30(23)25(44)2 0(43)11-36-62(51,52)18-8- 7-16-5-3-4-6-17(16)9-18)6 1-31-26(45)22(13-56-63(53 ,54)55)58-33(28(31)47)59- 29-21(12-39)57-32(48)24(2 7(29)46)38-15(2)41/h3-9,1 9-33,36,39,42-48H,10-13H2 ,1-2H3,(H,37,40)(H,38,41) (H,49,50)(H,53,54,55)/t19 -,20+,21+,22+,23+,24+,25+ ,26-,27+,28+,29+,30+,31-, 32+,33-,35-/m0/s1; ZLAPGDVDOMPNMP-XMROQEHSSA-N |
CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[ C@@H]2O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H ](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H] (O3)[C@H](O)[C@H](O)CN[S](=O)(=O)c4ccc5c cccc5c4)C(O)=O)[C@H]2O)[C@@H]1O; CC(=O)N [C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H] (CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)O [C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H ]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O) CO)COS(=O)(=O)O)O)O; CC(=O)NC1C(CC(OC1C( C(CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O) OC4C(C(OC(C4O)OC5C(OC(C(C5O)NC(=O)C)O)CO )COS(=O)(=O)O)O)O; CC(=O)N[CH]1[CH](O)O[ CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[ CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[C H](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5c cccc5c4)C(O)=O)[CH]2O)[CH]1O |
(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid |
| 24487 |  F9J CHEMBL2381980 ZINC000095921072 |
2 | C18 H20 F2 N8 O2 | InChI=1S/C18H20F2N8O2/c1- 10-7-13(27-26-10)23-18-24 -16(28-3-5-29-6-4-28)14(2 0)17(25-18)30-11(2)15-21- 8-12(19)9-22-15/h7-9,11H, 3-6H2,1-2H3,(H2,23,24,25, 26,27)/t11-/m0/s1; NFYAORHLODKCQX-NSHDSACASA-N |
C[CH](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c 1F)c4ncc(F)cn4; Fc1cnc(nc1)C(Oc3nc(nc(N2 CCOCC2)c3F)Nc4cc(nn4)C)C; Cc1cc([nH]n1)N c2nc(c(c(n2)OC(C)c3ncc(cn3)F)F)N4CCOCC4; Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3n cc(cn3)F)F)N4CCOCC4; C[C@H](Oc1nc(Nc2[nH ]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4 |
5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE |
| 24488 |  F9K ZINC000150343232 |
2 | C42 H51 F2 N7 O9 S | InChI=1S/C42H51F2N7O9S/c1 -3-26-21-42(26)40(56)48-6 1(58,59)35-19-27(43)15-16 -32(35)45-17-8-6-4-5-7-14 -33(46-36(52)29-12-10-18- 49(2)38(29)54)39(55)51-23 -28(20-34(51)37(53)47-42) 60-41(57)50-22-25-11-9-13 -31(44)30(25)24-50/h3,9,1 1,13,15-16,19,26,28-29,33 -34,45H,1,4-8,10,12,14,17 -18,20-24H2,2H3,(H,46,52) (H,47,53)(H,48,56)/t26-,2 8-,29+,33+,34+,42-/m1/s1; JSGPAIBYTVNGSI-ZBBLQTOUSA-N |
CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3c cc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC (=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7ccc c(c7C6)F)F; CN1CCC[C@@H](C(=O)N[C@H]2CCC CCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C@]4(C [C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC (=O)N6Cc7cccc(F)c7C6)C1=O; O=C1N(C)CCCC1 C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3 )CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6N CCCCCCC5)CC7\C=C; CN1CCC[CH](C(=O)N[CH]2 CCCCCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C]4 (C[CH]4C=C)NC(=O)[CH]5C[CH](CN5C2=O)OC(= O)N6Cc7cccc(F)c7C6)C1=O; CN1CCCC(C1=O)C( =O)NC2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)C4 (CC4C=C)NC(=O)C5CC(CN5C2=O)OC(=O)N6Cc7cc cc(c7C6)F)F |
(1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE |
| 24489 |  F9M |
8 | C25 H23 F3 N8 O S2 | InChI=1S/C25H23F3N8OS2/c1 -13-21(39-14(2)32-13)19-1 2-38-24(33-19)34-20-6-3-1 5(7-29-20)22(37)36-17-4-5 -18(36)11-35(10-17)23-30- 8-16(9-31-23)25(26,27)28/ h3,6-9,12,17-18H,4-5,10-1 1H2,1-2H3,(H,29,33,34)/t1 7-,18+; JARXMNZSCUFQHX-HDICACEKSA-N |
Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH ]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2; Cc 1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4[C @@H]5CC[C@H]4CN(C5)c6ncc(cn6)C(F)(F)F; C c1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4C 5CCC4CN(C5)c6ncc(cn6)C(F)(F)F; Cc1sc(c(C )n1)c2csc(Nc3ccc(cn3)C(=O)N4[C@H]5CC[C@@ H]4CN(C5)c6ncc(cn6)C(F)(F)F)n2 |
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone |
| 24490 |  F9N |
7 | C23 H33 N7 O3 S | InChI=1S/C23H33N7O3S/c1-3 0(2)13-7-12-26-34(31,32)1 9-11-6-10-18(14-19)27-23- 28-21-20(24-16-25-21)22(2 9-23)33-15-17-8-4-3-5-9-1 7/h6,10-11,14,16-17,26H,3 -5,7-9,12-13,15H2,1-2H3,( H2,24,25,27,28,29); PEEXIAQHZDNIBT-UHFFFAOYSA-N |
CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2 )OCC4CCCCC4)[nH]cn3; CN(C)CCCN[S](=O)(=O )c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1 |
3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide |
| 24491 |  F9O CHEMBL4802138 DB18017 |
2 | C15 H19 Cl2 N3 O | InChI=1S/C15H19Cl2N3O/c16 -10-5-6-12-15(14(10)17)19 -9-20(12)8-2-3-11-13(21)4 -1-7-18-11/h5-6,9,11,13,1 8,21H,1-4,7-8H2/t11-,13+/ m1/s1; VXCNMWNXDDMFSX-YPMHNXCESA-N |
O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23; c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl; c1cc(c(c2c1n(cn2)CCC[C@@H]3[C@H](CCCN3)O )Cl)Cl; O[C@H]1CCCN[C@@H]1CCCn2cnc3c(Cl) c(Cl)ccc23 |
(2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol |
| 24492 |  F9P CHEMBL2333345 ZINC000006415504 |
2 | C7 H13 N O2 | InChI=1S/C7H13NO2/c9-7(8- 10)6-4-2-1-3-5-6/h6,10H,1 -5H2,(H,8,9); RFWDAWXPYZTVSN-UHFFFAOYSA-N |
ONC(=O)C1CCCCC1; C1CCC(CC1)C(=O)NO; C1CC CCC1C(NO)=O |
N-hydroxycyclohexanecarboxamide; cyclohexylhydroxamate |
| 24493 |  F9Q CHEMBL4594442 DB16192 |
1 | C15 H11 Cl F N5 | InChI=1S/C15H11ClFN5/c1-8 -6-10(7-12(16)19-8)14-13( 20-15(18)22-21-14)9-2-4-1 1(17)5-3-9/h2-7H,1H3,(H2, 18,20,22); NCWQLHHDGDXIJN-UHFFFAOYSA-N |
Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F; Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3 |
6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine |
| 24494 |  F9R CHEMBL254219 DB01396 ZINC000095862733 |
2 | C41 H64 O13 | InChI=1S/C41H64O13/c1-20- 36(46)29(42)16-34(49-20)5 3-38-22(3)51-35(18-31(38) 44)54-37-21(2)50-33(17-30 (37)43)52-25-8-11-39(4)24 (15-25)6-7-28-27(39)9-12- 40(5)26(10-13-41(28,40)47 )23-14-32(45)48-19-23/h14 ,20-22,24-31,33-38,42-44, 46-47H,6-13,15-19H2,1-5H3 /t20-,21-,22-,24-,25+,26- ,27+,28-,29+,30+,31+,33+, 34+,35+,36-,37-,38-,39+,4 0-,41+/m1/s1; WDJUZGPOPHTGOT-XUDUSOBPSA-N |
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[ C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H]( O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C @H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C @]67O)C8=CC(=O)OC8)C4; C[CH]1O[CH](C[CH] (O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[C H]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[ CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C 8=CC(=O)OC8)C4; C[C@@H]1[C@H]([C@H](C[C@ @H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[ C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C @]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C @@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O ; CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O )OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O )OC8)O)C)C)C)C)O)O |
Digitoxin; 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| 24495 |  F9S |
0 | C25 H35 N O4 | InChI=1S/C25H35NO4/c27-20 -23-18-22(13-14-24(23)28) 25(29)19-26-15-7-1-2-8-16 -30-17-9-6-12-21-10-4-3-5 -11-21/h3-5,10-11,13-14,1 8,26-28H,1-2,6-9,12,15-17 ,19-20H2; XPCWLGKNIXSVBR-UHFFFAOYSA-N |
OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2; c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2) CO)O; c1c(cccc1)CCCCOCCCCCCNCC(=O)c2cc(c (cc2)O)CO |
1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one |
| 24496 |  F9T |
9 | C23 H25 N O4 | InChI=1S/C23H25NO4/c1-2-3 -4-5-7-17-10-15-21(20(25) 16-17)27-18-11-13-19(14-1 2-18)28-23-9-6-8-22(26)24 -23/h6,8-16,25H,2-5,7H2,1 H3,(H,24,26); RNLVXOQANIRULJ-UHFFFAOYSA-N |
CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3 )O; CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2) c(O)c1 |
6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol |
| 24497 |  F9U |
0 | C21 H32 N2 O3 | InChI=1S/C21H32N2O3/c1-20 -7-5-13(23-26-10-9-22)11- 17(20)18(24)12-14-15-3-4- 19(25)21(15,2)8-6-16(14)2 0/h14-17H,3-12,22H2,1-2H3 /b23-13-/t14-,15+,16-,17- ,20+,21-/m0/s1; MPYLDWFDPHRTEG-XCVJZJIDSA-N |
C[C@]12CC/C(C[C@H]1C(=O)C[C@@H]3[C@@H]2C C[C@@]4(C)[C@@H]3CCC4=O)=N/OCCN; C[C@]12 CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H] 2CC[C@]4([C@@H]3CCC4=O)C; CC12CCC(=NOCCN )CC1C(=O)CC3C2CCC4(C3CCC4=O)C; C[C]12CCC (C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC 4=O)=NOCCN |
(3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
| 24498 |  F9V ZINC000000155879 |
1 | C10 H10 O4 | InChI=1S/C10H10O4/c11-9(1 2)6-8(10(13)14)7-4-2-1-3- 5-7/h1-5,8H,6H2,(H,11,12) (H,13,14)/t8-/m0/s1; LVFFZQQWIZURIO-QMMMGPOBSA-N |
c1ccc(cc1)C(CC(=O)O)C(=O)O; OC(=O)C[CH]( C(O)=O)c1ccccc1; OC(=O)C[C@H](C(O)=O)c1c cccc1; O=C(O)C(c1ccccc1)CC(=O)O |
(2S)-2-phenylbutanedioic acid |
| 24499 |  F9W |
1 | C13 H14 F2 O5 | InChI=1S/C13H14F2O5/c14-7 -2-8(15)4-9(3-7)20-10-1-6 (5-16)11(17)13(19)12(10)1 8/h1-4,10-13,16-19H,5H2/t 10-,11-,12-,13-/m0/s1; CSNIOFGNOFVRRH-CYDGBPFRSA-N |
OCC1=C[CH](Oc2cc(F)cc(F)c2)[CH](O)[CH](O )[CH]1O; c1c(cc(cc1F)F)OC2C=C(C(C(C2O)O) O)CO; c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C @@H]([C@H]2O)O)O)CO; OCC1=C[C@H](Oc2cc(F )cc(F)c2)[C@H](O)[C@@H](O)[C@H]1O |
(1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol |
| 24500 |  F9X |
4 | C13 H21 N2 O8 P | InChI=1S/C13H21N2O8P/c1-3 -10(16)11(13(18)19)15-5-9 -8(6-23-24(20,21)22)4-14- 7(2)12(9)17/h4,10-11,15-1 7H,3,5-6H2,1-2H3,(H,18,19 )(H2,20,21,22)/t10-,11+/m 1/s1; BXUMTZWSUSTQMU-MNOVXSKESA-N |
CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)CO P(=O)(O)O)O; CC[CH](O)[CH](NCc1c(O)c(C)n cc1CO[P](O)(O)=O)C(O)=O; CCC(C(C(=O)O)NC c1c(cnc(c1O)C)COP(=O)(O)O)O; CC[C@@H](O) [C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O) =O |
(2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid |
| 24501 |  F9Y ZINC000002566051 |
4 | C9 H6 N2 | InChI=1S/C9H6N2/c10-6-7-1 -2-8-3-4-11-9(8)5-7/h1-5, 11H; SZSZDBFJCQKTRG-UHFFFAOYSA-N |
N#Cc1ccc2cc[nH]c2c1; c1cc(cc2c1cc[nH]2)C #N; C(c2ccc1ccnc1c2)#N |
1H-indole-6-carbonitrile |
| 24502 |  F9Z CHEMBL1709089 ZINC000018825328 |
3 | C21 H20 Cl N O5 | InChI=1S/C21H20ClNO5/c1-2 3-7-6-12(17(27)10-23)19-1 4(24)8-15(25)20-16(26)9-1 8(28-21(19)20)11-4-2-3-5- 13(11)22/h2-5,8-9,12,17,2 4-25,27H,6-7,10H2,1H3/t12 -,17-/m0/s1; BIIVYFLTOXDAOV-SJCJKPOMSA-N |
CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC 3=O)c4ccccc4Cl)O)O; CN1CC[C@@H]([C@@H](O )C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4C l; CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4 ccccc4Cl)O)O; CN1CC[CH]([CH](O)C1)c2c(O) cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl |
2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one |
| 24503 |  FA CHEMBL1622 DB00158 |
0 | C19 H19 N7 O6 | InChI=1/C19H19N7O6/c20-19 -25-15-14(17(30)26-19)23- 11(8-22-15)7-21-10-3-1-9( 2-4-10)16(29)24-12(18(31) 32)5-6-13(27)28/h1-4,8,12 ,21H,5-7H2,(H,24,29)(H,27 ,28)(H,31,32)(H3,20,22,25 ,26,30)/t12-/m0/s1/f/h24- 25,27,31H,20H2; OVBPIULPVIDEAO-MIBLXQRJDO |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC c2cnc3c(n2)C(=O)N=C(N3)N; c1cc(ccc1C(=O) NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C (N3)N; NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N [CH](CCC(O)=O)C(O)=O)cnc2N1; NC1=NC(=O)c 2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C( O)=O)cnc2N1; O=C(O)C(NC(=O)c1ccc(cc1)NCc 2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O |
FOLIC ACID |
| 24504 |  FA0 ZINC000000389796 |
13 | C7 H6 F N O2 | InChI=1S/C7H6FNO2/c8-4-1- 2-5(7(10)11)6(9)3-4/h1-3H ,9H2,(H,10,11); LGPVTNAJFDUWLF-UHFFFAOYSA-N |
c1cc(c(cc1F)N)C(=O)O; O=C(O)c1ccc(F)cc1N ; Nc1cc(F)ccc1C(O)=O |
2-amino-4-fluorobenzoic acid |
| 24505 |  FA1 CHEMBL190265 DB02801 |
49 | C7 H10 O5 | InChI=1S/C7H10O5/c8-4-1-2 -7(12,6(10)11)3-5(4)9/h1- 2,4-5,8-9,12H,3H2,(H,10,1 1)/t4-,5-,7+/m1/s1; VTEDVYGIJPLVFF-XAHCXIQSSA-N |
C1C(C(C=CC1(C(=O)O)O)O)O; C1[C@H]([C@@H] (C=C[C@]1(C(=O)O)O)O)O; O[C@@H]1C[C@@](O )(C=C[C@H]1O)C(O)=O; O=C(O)C1(O)C=CC(O)C (O)C1; O[CH]1C[C](O)(C=C[CH]1O)C(O)=O |
2,3 -ANHYDRO-QUINIC ACID |
| 24506 |  FA2 DB02454 ZINC000058638540 |
1 | C9 H12 N5 O6 P | InChI=1S/C9H12N5O6P/c10-7 -5-8(12-2-11-7)14(3-13-5) 9-6(15)4(1-19-9)20-21(16, 17)18/h2-4,6,9,15H,1H2,(H 2,10,11,12)(H2,16,17,18)/ t4-,6+,9+/m0/s1; IJEJRDCFMFEDGL-AFEQZKEHSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3 )OP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[CH]3OC [CH](O[P](O)(O)=O)[CH]3O; Nc1ncnc2n(cnc1 2)[C@@H]3OC[C@H](O[P](O)(O)=O)[C@H]3O; c 1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)O)O) N; O=P(O)(O)OC3COC(n2cnc1c(ncnc12)N)C3O |
5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE |
| 24507 |  FA3 CHEMBL365468 DB02786 |
12 | C7 H9 F O5 | InChI=1S/C7H9FO5/c8-3-1-7 (13,6(11)12)2-4(9)5(3)10/ h1,4-5,9-10,13H,2H2,(H,11 ,12)/t4-,5-,7+/m1/s1; DGZQZSSRYAJDAX-XAHCXIQSSA-N |
O[CH]1C[C](O)(C=C(F)[CH]1O)C(O)=O; O[C@@ H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O; FC1=C C(O)(C(=O)O)CC(O)C1O; C1[C@H]([C@@H](C(= C[C@]1(C(=O)O)O)F)O)O; C1C(C(C(=CC1(C(=O )O)O)F)O)O |
2-ANHYDRO-3-FLUORO-QUINIC ACID |
| 24508 |  FA4 ZINC000003821563 |
4 | C24 H42 N6 O3 | InChI=1S/C24H42N6O3/c25-1 7-11-10-15-21(23(32)30-33 )29-22(31)16-7-5-3-1-2-4- 6-12-19-13-8-9-14-20(19)1 8-28-24(26)27/h8-9,13-14, 21,33H,1-7,10-12,15-18,25 H2,(H,29,31)(H,30,32)(H4, 26,27,28)/t21-/m1/s1; DPKFTMHWVJEOMW-OAQYLSRUSA-N |
NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)= N)C(=O)NO; [H]N=C(N)NCc1ccccc1CCCCCCCCCC (=O)NC(CCCCN)C(=O)NO; NCCCC[C@@H](NC(=O) CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO; O=C(N O)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N) CCCCN; [H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC( =O)N[C@H](CCCCN)C(=O)NO |
SM-25453; (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE; GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE |
| 24509 |  FA5 ZINC000031539924 |
4 | C19 H23 N6 O8 P | InChI=1S/C19H23N6O8P/c20- 11(6-10-4-2-1-3-5-10)19(2 8)33-34(29,30)31-7-12-14( 26)15(27)18(32-12)25-9-24 -13-16(21)22-8-23-17(13)2 5/h1-5,8-9,11-12,14-15,18 ,26-27H,6-7,20H2,(H,29,30 )(H2,21,22,23)/t11-,12+,1 4+,15+,18+/m0/s1; ZFNOOEXYTZPIQS-URQYDQELSA-N |
O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O )C3O)C(N)Cc4ccccc4; c1ccc(cc1)CC(C(=O)OP (=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N ; N[CH](Cc1ccccc1)C(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34; c 1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@ @H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N )O)O)N; N[C@@H](Cc1ccccc1)C(=O)O[P@](O)( =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc 4c(N)ncnc34 |
ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE] |
| 24510 |  FA6 CHEMBL363381 DB03739 |
1 | C7 H11 N O6 | InChI=1S/C7H11NO6/c9-4-2- 7(13,6(11)12)1-3(8-14)5(4 )10/h4-5,9-10,13-14H,1-2H 2,(H,11,12)/b8-3+/t4-,5-, 7+/m1/s1; WASIBXJFRXJWAR-GKQOBJDDSA-N |
O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1; C1[C@H]( [C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O; ON= C1C[C](O)(C[CH](O)[CH]1O)C(O)=O; O\N=C1/ C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O; C1C( C(C(=NO)CC1(C(=O)O)O)O)O |
3-HYDROXYIMINO QUINIC ACID |
| 24511 |  FA7 |
0 | C9 H14 O2 | InChI=1S/C9H14O2/c1-8(2)6 -4-3-5-7-9(10)11/h3-5,7-8 H,6H2,1-2H3,(H,10,11)/b4- 3+,7-5-; ZPJFGJWTSDWBST-BZDQXIRASA-N |
CC(C)CC=CC=CC(=O)O; CC(C)C\C=C\C=C/C(=O) O; O=C(O)/C=C\C=C\CC(C)C; CC(C)CC=CC=CC( O)=O; CC(C)C\C=C\C=C/C(O)=O |
(2Z,4E)-7-methylocta-2,4-dienoic acid |
| 24512 |  FA8 ZINC000098208864 |
6 | C27 H35 N9 O15 P2 | InChI=1S/C27H35N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,18-21,26,32,37-41H ,5-7H2,1-2H3,(H,44,45)(H, 46,47)(H2,28,29,30)(H,34, 42,43)/t14-,15+,16+,18-,1 9-,20+,21+,26+/m0/s1; SDBHOOIZTSVSKT-LDVRFEIFSA-N |
Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(C[CH](O)[CH ](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH] 4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2 cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2 )CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4) n5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C@@H]3 C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H]( O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]( [C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C ; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2 )C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@ @](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4) n5cnc6c5ncnc6N)O)O)O)O)O; O=C2NC(=O)N=C3 N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O )(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O )C6O |
[[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE |
| 24513 |  FA9 ZINC000263620959 |
1 | C36 H43 N9 O16 P2 | InChI=1S/C36H43N9O16P2/c1 -16-8-20-21(9-17(16)2)45- 25(48)10-19(18-6-4-3-5-7- 18)36(45)33(41-35(53)42-3 4(36)52)43(20)11-22(46)27 (49)23(47)12-58-62(54,55) 61-63(56,57)59-13-24-28(5 0)29(51)32(60-24)44-15-40 -26-30(37)38-14-39-31(26) 44/h3-9,14-15,19,22-24,27 -29,32-33,46-47,49-51H,10 -13H2,1-2H3,(H,54,55)(H,5 6,57)(H2,37,38,39)(H2,41, 42,52,53)/t19-,22+,23-,24 -,27+,28-,29-,32-,33-,36+ /m1/s1; QWOOVYWBGZGGNV-ITRBMUPBSA-N |
Cc1cc2c(cc1C)N3C(=O)CC(C34C(N2CC(C(C(COP (=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncn c7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8; Cc1c c2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[ P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn c5c(N)ncnc45)[CH]6NC(=O)NC(=O)[C]67[CH]( CC(=O)N7c2cc1C)c8ccccc8; Cc1cc2c(cc1C)N3 C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([ C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]( [C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O )NC(=O)NC4=O)c8ccccc8; Cc1cc2N(C[C@H](O) [C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)O C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N )ncnc45)[C@H]6NC(=O)NC(=O)[C@]67[C@H](CC (=O)N7c2cc1C)c8ccccc8; O=C4N2c1cc(c(cc1N (C5NC(=O)NC(=O)C25C(c3ccccc3)C4)CC(O)C(O )C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(n cnc67)N)C(O)C8O)C)C |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate |
| 24514 |  FAA |
2 | C34 H39 N9 O16 P2 | InChI=1S/C34H39N9O16P2/c1 -15-7-19-20(8-16(15)2)42( 31-25(32(50)40-34(51)39-3 1)41(19)9-17-3-5-18(44)6- 4-17)10-21(45)26(47)22(46 )11-56-60(52,53)59-61(54, 55)57-12-23-27(48)28(49)3 3(58-23)43-14-38-24-29(35 )36-13-37-30(24)43/h3-8,1 3-14,21-23,26-28,33,45-49 H,9-12H2,1-2H3,(H5-,35,36 ,37,40,44,50,51,52,53,54, 55)/t21-,22+,23+,26-,27+, 28+,33+/m0/s1; MEBQXAOFZPAVFQ-RAWNUJITSA-N |
Cc1cc2N(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=NC(=O)NC(=O)C6=[N +](Cc7ccc(O)cc7)c2cc1C; Cc1cc2c(cc1C)[N+ ](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O- ])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O )O)O)O)O)Cc7ccc(cc7)O; Cc1cc2c(cc1C)[N+] (=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@ H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@ H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O) O)O)Cc7ccc(cc7)O; Cc1cc2N(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)n cnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc 7)c2cc1C |
N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE |
| 24515 |  FAB |
10 | C31 H39 N9 O16 P2 | InChI=1S/C31H39N9O16P2/c1 -12(2)29(47)40-16-6-14(4) 13(3)5-15(16)38(27-21(40) 28(46)37-31(48)36-27)7-17 (41)22(43)18(42)8-53-57(4 9,50)56-58(51,52)54-9-19- 23(44)24(45)30(55-19)39-1 1-35-20-25(32)33-10-34-26 (20)39/h5-6,10-12,17-19,2 2-24,30,41-45H,7-9H2,1-4H 3,(H4-,32,33,34,37,46,48, 49,50,51,52)/t17-,18+,19+ ,22-,23+,24+,30+/m0/s1; VVZGWZAMSAFRNS-UYOVOMPXSA-N |
CC(C)C(=O)[N+]1=C2C(=O)NC(=O)N=C2N(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)n4 cnc5c(N)ncnc45)c6cc(C)c(C)cc16; Cc1cc2c( cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C @@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[ C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc 6N)O)O)O)O)O)C(=O)C(C)C; Cc1cc2c(cc1C)[N +](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O -])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N) O)O)O)O)O)C(=O)C(C)C; CC(C)C(=O)[N+]1=C2 C(=O)NC(=O)N=C2N(C[CH](O)[CH](O)[CH](O)C O[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([C H](O)[CH]3O)n4cnc5c(N)ncnc45)c6cc(C)c(C) cc16 |
FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE |
| 24516 |  FAC CHEMBL84242 DB02922 |
1 | C3 H2 F6 O2 | InChI=1S/C3H2F6O2/c4-2(5, 6)1(10,11)3(7,8)9/h10-11H; AKVXSYUWYXOLMY-UHFFFAOYSA-N |
C(C(F)(F)F)(C(F)(F)F)(O)O; FC(F)(F)C(O)( O)C(F)(F)F; OC(O)(C(F)(F)F)C(F)(F)F |
1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL; HEXAFLUOROACETONE HYDRATE |
| 24517 |  FAD CHEMBL1232653 DB03147 ZINC000008215434 |
7850 | C27 H33 N9 O15 P2 | InChI=1S/C27H33N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,19-21,26,37-41H,5- 7H2,1-2H3,(H,44,45)(H,46, 47)(H2,28,29,30)(H,34,42, 43)/t14-,15+,16+,19-,20+, 21+,26+/m0/s1; VWWQXMAJTJZDQX-UYBVJOGSSA-N |
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H ](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC [C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N) ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)N C(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC 4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]( [C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O) OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5n cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N= C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[ P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(= O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C |
FLAVIN-ADENINE DINUCLEOTIDE |
| 24518 |  FAE DB02332 |
4 | C27 H34 N9 O15 P2 | InChI=1S/C27H33N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,19-21,26,37-41H,5- 7H2,1-2H3,(H,44,45)(H,46, 47)(H2,28,29,30)(H,34,42, 43)/p+1/t14-,15+,16+,19-, 20+,21+,26+/m0/s1; VWWQXMAJTJZDQX-UYBVJOGSSA-O |
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH]( O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O [CH]([CH](O)[CH]4O)n5c[nH+]c6c(N)ncnc56) c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3 =N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O) O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H]( O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; Cc1cc2N =C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@ H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@ H]([C@H](O)[C@@H]4O)n5c[nH+]c6c(N)ncnc56 )c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C 3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C (O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; O=C2C3 =Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)C OP(=O)(O)OP(=O)(O)OCC6OC(n5c[nH+]c4c(ncn c45)N)C(O)C6O)C)C |
FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE |
| 24519 |  FAF DB07749 ZINC000003874344 |
2 | C17 H24 N2 O3 | InChI=1S/C17H24N2O3/c1-12 (2)9-16(18-13(3)21)17(22) 19-15(11-20)10-14-7-5-4-6 -8-14/h4-8,11-12,15-16H,9 -10H2,1-3H3,(H,18,21)(H,1 9,22)/t15-,16-/m0/s1; QRDDFQYJOFVDNR-HOTGVXAUSA-N |
CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1) C=O; CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc 1ccccc1)C=O; O=C(NC(C(=O)NC(C=O)Cc1ccccc 1)CC(C)C)C; CC(C)C[C@@H](C(=O)N[C@@H](Cc 1ccccc1)C=O)NC(=O)C; CC(C)CC(C(=O)NC(Cc1 ccccc1)C=O)NC(=O)C |
2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE |
| 24520 |  FAG ZINC000058632458 |
0 | C27 H28 N5 O15 P | InChI=1S/C27H28N5O15P/c1- 42-11-5-12-17(21-16(11)8- 2-3-9(34)15(8)25(38)46-21 )18-20(36)24(47-26(18)45- 12)32(7-33)19-22(30-27(28 )31-23(19)37)29-14-4-10(3 5)13(44-14)6-43-48(39,40) 41/h5,7,10,13-14,18,20,24 ,26,35-36H,2-4,6H2,1H3,(H 2,39,40,41)(H4,28,29,30,3 1,37)/t10-,13+,14+,18+,20 +,24+,26-/m0/s1; ATYDIVLPRYGUHN-MHRKVAGWSA-N |
COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(C (OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O7 )COP(=O)(O)O)O)O; COc1cc2O[CH]3O[CH]([CH ](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14)N(C=O )C6=C(N[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O 7)N=C(N)NC6=O; O=P(O)(O)OCC7OC(NC=1N=C(N )NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3c(OC(=O) C=2C(=O)CCC=23)c4C6C5O)CC7O; COc1cc2c(c3 c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@ @H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[ C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O; C Oc1cc2O[C@H]3O[C@H]([C@H](O)[C@H]3c2c4OC (=O)C5=C(CCC5=O)c14)N(C=O)C6=C(N[C@H]7C[ C@H](O)[C@@H](CO[P](O)(O)=O)O7)N=C(N)NC6 =O |
[1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP |
| 24521 |  FAH CHEMBL509273 ZINC000004658594 |
67 | C2 H3 F O2 | InChI=1S/C2H3FO2/c3-1-2(4 )5/h1H2,(H,4,5); QEWYKACRFQMRMB-UHFFFAOYSA-N |
OC(=O)CF; C(C(=O)O)F; FCC(=O)O | fluoroacetic acid |
| 24522 |  FAI CHEMBL521310 |
1 | C10 H15 N4 O9 P | InChI=1S/C10H15N4O9P/c11- 8(18)5-9(13-3-15)14(2-12- 5)10-7(17)6(16)4(23-10)1- 22-24(19,20)21/h2-4,6-7,1 0,16-17H,1H2,(H2,11,18)(H ,13,15)(H2,19,20,21)/t4-, 6-,7-,10-/m1/s1; ABCOOORLYAOBOZ-KQYNXXCUSA-N |
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO P(=O)(O)O)O)O)NC=O)C(=O)N; O=CNc1c(ncn1C 2OC(C(O)C2O)COP(=O)(O)O)C(=O)N; c1nc(c(n 1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N; NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[C H](O)[CH]2O)c1NC=O; NC(=O)c1ncn([C@@H]2O [C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N C=O |
5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
| 24523 |  FAJ ZINC000263620555 |
2 | C36 H43 N9 O16 P2 | InChI=1S/C36H43N9O16P2/c1 -16-8-20-21(9-17(16)2)45- 25(48)10-19(18-6-4-3-5-7- 18)36(45)33(41-35(53)42-3 4(36)52)43(20)11-22(46)27 (49)23(47)12-58-62(54,55) 61-63(56,57)59-13-24-28(5 0)29(51)32(60-24)44-15-40 -26-30(37)38-14-39-31(26) 44/h3-9,14-15,19,22-25,27 -29,32,46-51H,10-13H2,1-2 H3,(H,54,55)(H,56,57)(H2, 37,38,39)(H,42,52,53)/t19 -,22+,23-,24-,25-,27+,28- ,29-,32-,36+/m1/s1; ILGFMEOMSHHKRB-LHVNJQMSSA-N |
Cc1cc2N(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=NC(=O)NC(=O) [C@]67[C@H](C[C@@H](O)N7c2cc1C)c8ccccc8; O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2cc ccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP( =O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O; C c1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2C C(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6 cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1cc 2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(= O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O) OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5) n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1 cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O [P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c nc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C [CH](O)N7c2cc1C)c8ccccc8 |
FAD-trans-2-Phenylcyclopropylamine Adduct; FAD-PCPA Adduct |
| 24524 |  FAK ZINC000002384794 |
0 | C8 H13 F3 N2 O3 | InChI=1S/C8H13F3N2O3/c9-8 (10,11)7(16)13-4-2-1-3-5( 12)6(14)15/h5H,1-4,12H2,( H,13,16)(H,14,15)/t5-/m0/ s1; PZZHRSVBHRVIMI-YFKPBYRVSA-N |
C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N; C(C CNC(=O)C(F)(F)F)CC(C(=O)O)N; N[CH](CCCCN C(=O)C(F)(F)F)C(O)=O; O=C(O)C(N)CCCCNC(= O)C(F)(F)F; N[C@@H](CCCCNC(=O)C(F)(F)F)C (O)=O |
N~6~-(trifluoroacetyl)-L-lysine |
| 24525 |  FAL DB07750 ZINC000000602494 |
1 | C21 H23 Cl2 N5 O2 | InChI=1S/C21H23Cl2N5O2/c1 -28(2)12-16(29)13-30-17-6 -4-15(5-7-17)25-21-24-10- 9-20(27-21)26-19-11-14(22 )3-8-18(19)23/h3-11,16,29 H,12-13H2,1-2H3,(H2,24,25 ,26,27)/t16-/m1/s1; GNLAGGCSJGJECE-MRXNPFEDSA-N |
CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc 3Cl)Cl)O; CN(C)C[C@H](COc1ccc(cc1)Nc2ncc c(n2)Nc3cc(ccc3Cl)Cl)O; Clc1cc(c(Cl)cc1) Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C )C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl )n2)cc1; CN(C)C[C@@H](O)COc1ccc(Nc2nccc( Nc3cc(Cl)ccc3Cl)n2)cc1 |
(2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL |
| 24526 |  FAM ZINC000098208865 |
1 | C23 H38 F N8 O17 P3 | InChI=1S/C23H38FN8O17P3/c 1-23(2,17(35)21(37)28-6-4 -13(33)27-5-3-11(24)19(26 )36)8-46-52(43,44)49-51(4 1,42)45-7-12-16(48-50(38, 39)40)15(34)22(47-12)32-1 0-31-14-18(25)29-9-30-20( 14)32/h9-12,15-17,22,34-3 5H,3-8H2,1-2H3,(H2,26,36) (H,27,33)(H,28,37)(H,41,4 2)(H,43,44)(H2,25,29,30)( H2,38,39,40)/t11-,12-,15- ,16-,17+,22-/m1/s1; AXBPCHJFKHSRQL-SYSIYMLXSA-N |
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H] 1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O) OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C (=O)N)F)O; CC(C)(CO[P](O)(=O)O[P](O)(=O) OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2 cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[C H](F)C(N)=O; CC(C)(COP(=O)(O)OP(=O)(O)OC C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C (C(=O)NCCC(=O)NCCC(C(=O)N)F)O; CC(C)(CO[ P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H] (O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23) [C@@H](O)C(=O)NCCC(=O)NCC[C@@H](F)C(N)=O ; O=C(N)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)C OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12) N)C(O)C3OP(=O)(O)O |
ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX |
| 24527 |  FAN CHEMBL1232659 ZINC000013550498 |
2 | C7 H7 N O | InChI=1S/C7H7NO/c9-6-8-7- 4-2-1-3-5-7/h1-6H,(H,8,9); DYDNPESBYVVLBO-UHFFFAOYSA-N |
O=CNc1ccccc1; c1ccc(cc1)NC=O | FORMANILIDE |
| 24528 |  FAO ZINC000098208866 |
6 | C27 H37 N9 O15 P2 | InChI=1S/C27H37N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,18-21,24,26,32,37- 41H,5-7H2,1-2H3,(H,44,45) (H,46,47)(H2,28,29,30)(H2 ,33,34,42,43)/t14-,15+,16 +,18-,19-,20+,21+,24+,26+ /m0/s1; VSWYNLHGQAGAHX-AWYOOINRSA-N |
Cc1cc2N[C@H]3[C@H](NC(=O)NC3=O)N(C[C@H]( O)[C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O) (=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cn c6c(N)ncnc56)c2cc1C; Cc1cc2c(cc1C)[N@@]( [C@@H]3[C@H](N2)C(=O)NC(=O)N3)C[C@@H]([C @@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC [C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncn c6N)O)O)O)O)O; O=C2NC(=O)NC3N(c1cc(c(cc1 NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O )OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O; Cc1cc2 c(cc1C)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn c6N)O)O)O)O)O; Cc1cc2N[CH]3[CH](NC(=O)NC 3=O)N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O) O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5 cnc6c(N)ncnc56)c2cc1C |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate |
| 24529 |  FAP DB07751 ZINC000003581447 |
1 | C21 H23 F2 N5 O2 | InChI=1S/C21H23F2N5O2/c1- 28(2)11-15(29)12-30-16-8- 6-14(7-9-16)26-19-10-20(2 5-13-24-19)27-21-17(22)4- 3-5-18(21)23/h3-10,13,15, 29H,11-12H2,1-2H3,(H2,24, 25,26,27)/t15-/m0/s1; ZVSBKYYVBCKDBO-HNNXBMFYSA-N |
CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c (cccc3F)F)O; CN(C)C[C@H](O)COc1ccc(Nc2cc (Nc3c(F)cccc3F)ncn2)cc1; CN(C)C[CH](O)CO c1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1; CN(C )CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F )O; Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN( C)C)cc2)c3 |
(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL |
| 24530 |  FAQ |
2 | C29 H42 N7 O17 P3 S | InChI=1S/C29H42N7O17P3S/c 1-29(2,24(40)27(41)32-9-8 -19(37)31-10-11-57-20(38) 12-17-6-4-3-5-7-17)14-50- 56(47,48)53-55(45,46)49-1 3-18-23(52-54(42,43)44)22 (39)28(51-18)36-16-35-21- 25(30)33-15-34-26(21)36/h 3-7,15-16,18,22-24,28,39- 40H,8-14H2,1-2H3,(H,31,37 )(H,32,41)(H,45,46)(H,47, 48)(H2,30,33,34)(H2,42,43 ,44)/t18-,22-,23-,24+,28- /m1/s1; ZIGIFDRJFZYEEQ-CECATXLMSA-N |
CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c( N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O) Cc4ccccc4; CC(C)(CO[P](O)(=O)O[P](O)(=O) OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2 cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC (=O)Cc4ccccc4; CC(C)(CO[P@](=O)(O)O[P@@] (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCC C(=O)NCCSC(=O)Cc4ccccc4)O; CC(C)(COP(=O) (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N) O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)Cc4 ccccc4)O; O=C(SCCNC(=O)CCNC(=O)C(O)C(C)( C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc 12)N)C(O)C3OP(=O)(O)O)Cc4ccccc4 |
Phenylacetyl coenzyme A |
| 24531 |  FAR |
72 | C15 H26 | InChI=1S/C15H26/c1-6-14(4 )10-8-12-15(5)11-7-9-13(2 )3/h6,9,12H,7-8,10-11H2,1 -5H3/b14-6+,15-12+; JXBSHSBNOVLGHF-BUJBXKITSA-N |
CC=C(C)CCC=C(C)CCC=C(C)C; C\C=C(/C)\CC\C =C(/C)\CCC=C(C)C; C\C=C(C)\CC\C=C(C)\CCC =C(C)C; C(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C |
FARNESYL |
| 24532 |  FAS ZINC000008215440 |
9 | C27 H33 N9 O15 P2 | InChI=1S/C27H33N9O15P2/c1 -10-3-12-13(4-11(10)2)35( 24-18(32-12)25(42)34-27(4 3)33-24)5-14(37)19(39)15( 38)6-48-52(44,45)51-53(46 ,47)49-7-16-20(40)21(41)2 6(50-16)36-9-31-17-22(28) 29-8-30-23(17)36/h3-4,8-9 ,14-16,19-21,26,37-41H,5- 7H2,1-2H3,(H,44,45)(H,46, 47)(H2,28,29,30)(H,34,42, 43)/t14-,15-,16-,19+,20-, 21-,26-/m1/s1; VWWQXMAJTJZDQX-WCVIGVMNSA-N |
Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@@H](O)[C@ H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)(=O)O C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N )ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O) NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@]( =O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]( [C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(C OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N= C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[ P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(= O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C |
ARABINO-FLAVIN-ADENINE DINUCLEOTIDE |
| 24533 |  FAT CHEMBL82293 DB03796 |
0 | C16 H32 O2 | InChI=1/C16H32O2/c1-2-3-4 -5-6-7-8-9-10-11-12-13-14 -15-16(17)18/h2-15H2,1H3, (H,17,18)/f/h17H; IPCSVZSSVZVIGE-HCKMINDGCQ |
CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC CCCC; CCCCCCCCCCCCCCCC(O)=O |
1-HEXYLDECANOIC ACID |
| 24534 |  FAV CHEMBL1796267 ZINC000005050688 |
1 | C19 H14 Cl N O2 S | InChI=1S/C19H14ClNO2S/c1- 21(15-8-4-3-7-14(15)20)19 (22)17-10-12-11-23-16-9-5 -2-6-13(16)18(12)24-17/h2 -10H,11H2,1H3; PCSYEOAUKWBYOX-UHFFFAOYSA-N |
CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC 3; Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3) C; CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc 4Cl |
N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide |
| 24535 |  FAW ZINC000030731360 |
2 | C31 H60 O5 | InChI=1S/C31H60O5/c1-3-5- 7-9-11-13-15-17-19-21-23- 25-30(33)35-28-29(27-32)3 6-31(34)26-24-22-20-18-16 -14-12-10-8-6-4-2/h29,32H ,3-28H2,1-2H3/t29-/m0/s1; JFBCSFJKETUREV-LJAQVGFWSA-N |
CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCC CCCCCCC; O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC) CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H] (CO)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC( =O)OCC(CO)OC(=O)CCCCCCCCCCCCC |
(2S)-3-hydroxypropane-1,2-diyl ditetradecanoate |
| 24536 |  FAX ZINC000098208868 |
0 | C11 H18 N5 O6 P | InChI=1S/C11H18N5O6P/c12- 10-9(15-5-17)11(14-4-13-1 0)16-7-1-6(8(18)2-7)3-22- 23(19,20)21/h4-8,18H,1-3H 2,(H,15,17)(H2,19,20,21)( H3,12,13,14,16)/t6-,7-,8+ /m1/s1; DELGOZVNUACBKX-PRJMDXOYSA-N |
c1nc(c(c(n1)NC2CC(C(C2)O)COP(=O)(O)O)NC= O)N; Nc1ncnc(N[CH]2C[CH](O)[CH](CO[P](O) (O)=O)C2)c1NC=O; Nc1ncnc(N[C@H]2C[C@H](O )[C@@H](CO[P](O)(O)=O)C2)c1NC=O; c1nc(c( c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)( O)O)NC=O)N; O=P(O)(O)OCC2CC(Nc1ncnc(N)c1 NC=O)CC2O |
[(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| 24537 |  FAY ZINC000098208869 |
6 | C27 H31 N9 O16 P2 | InChI=1S/C27H31N9O16P2/c1 -10-2-12-13(3-11(10)5-37) 35(24-18(32-12)25(43)34-2 7(44)33-24)4-14(38)19(40) 15(39)6-49-53(45,46)52-54 (47,48)50-7-16-20(41)21(4 2)26(51-16)36-9-31-17-22( 28)29-8-30-23(17)36/h2-3, 5,8-9,14-16,19-21,26,38-4 2H,4,6-7H2,1H3,(H,45,46)( H,47,48)(H2,28,29,30)(H,3 4,43,44)/t14-,15+,16+,19- ,20+,21+,26+/m0/s1; WPPWMPSQWPJDHE-UYBVJOGSSA-N |
Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[ C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@] (=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5 cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)N C(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P ](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H]( O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C=O; Cc 1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)CC(C (C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc 6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(= O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(= O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O) n5cnc6c(N)ncnc56)c2cc1C=O; O=Cc2c(cc3N=C 1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP( =O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C (O)C6O)C |
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate; 8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE |
| 24538 |  FAZ CHEMBL1796273 ZINC000072175025 |
1 | C22 H19 Cl N2 O3 S | InChI=1S/C22H19ClN2O3S/c1 -13(26)24-15-7-8-16-19(12 -15)28-10-9-14-11-20(29-2 1(14)16)22(27)25(2)18-6-4 -3-5-17(18)23/h3-8,11-12H ,9-10H2,1-2H3,(H,24,26); RTUHEKLMDKJAQG-UHFFFAOYSA-N |
Clc1ccccc1N(C(=O)c3sc2c4ccc(NC(=O)C)cc4O CCc2c3)C; CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O )ccc23)c1)c4ccccc4Cl; CC(=O)Nc1ccc-2c(c1 )OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl |
8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide |
| 24539 |  FB ZINC000033821291 |
10 | C13 H18 N2 O8 | InChI=1S/C13H18N2O8/c1-11 (21,6-17)8(18)13-10(20)14 -12(22,9(19)15-13)7(2-4-1 6)3-5-23-13/h2,4,8,17-18, 21-22H,3,5-6H2,1H3,(H,14, 20)(H,15,19)/b7-2-/t8-,11 -,12+,13-/m0/s1; OWCIDQJNPLMOMK-QQMRGYPNSA-N |
CC(CO)(C(C12C(=O)NC(C(=CC=O)CCO1)(C(=O)N 2)O)O)O; C[C@](O)(CO)[C@H](O)[C@@]12NC(= O)[C@@](O)(NC1=O)\C(CCO2)=C/C=O; O=C2NC1 (OCCC(=C\C=O)\C2(O)NC1=O)C(O)C(O)(C)CO; C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C C=O)CCO1)(C(=O)N2)O)O)O; C[C](O)(CO)[CH] (O)[C]12NC(=O)[C](O)(NC1=O)C(CCO2)=CC=O |
5A-FORMYLBICYCLOMYCIN |
| 24540 |  FB0 ZINC000098208870 |
1 | C27 H49 N9 O15 P2 | InChI=1S/C27H49N9O15P2/c1 -14(4-6-28)15(2)5-7-35(12 -33-27(43)34-16(3)37)8-17 (38)21(40)18(39)9-48-52(4 4,45)51-53(46,47)49-10-19 -22(41)23(42)26(50-19)36- 13-32-20-24(29)30-11-31-2 5(20)36/h11,13-15,17-19,2 1-23,26,38-42H,4-10,12,28 H2,1-3H3,(H,44,45)(H,46,4 7)(H2,29,30,31)(H2,33,34, 37,43)/t14-,15+,17+,18-,1 9-,21+,22-,23-,26-/m1/s1; GXAQOPQBDYJNIO-CCGDWWFSSA-N |
O=C(NC(=O)NCN(CCC(C)C(C)CCN)CC(O)C(O)C(O )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1 2)N)C(O)C3O)C; CC(CCN)C(C)CCN(CC(C(C(COP (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn c3N)O)O)O)O)O)CNC(=O)NC(=O)C; C[C@H](CCN )[C@@H](C)CCN(CNC(=O)NC(C)=O)C[C@H](O)[C @H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[ C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n cnc23; C[CH](CCN)[CH](C)CCN(CNC(=O)NC(C) =O)C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P ](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc 3c(N)ncnc23; C[C@H](CCN)[C@@H](C)CCN(C[C @@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O )OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2 ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C |
|
| 24541 |  FB1 CHEMBL367983 ZINC000000295271 |
1 | C6 H6 Cl N O2 S | InChI=1S/C6H6ClNO2S/c7-5- 3-1-2-4-6(5)11(8,9)10/h1- 4H,(H2,8,9,10); JCCBZCMSYUSCFM-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccccc1Cl; c1ccc(c(c1)S(=O) (=O)N)Cl; O=S(=O)(c1ccccc1Cl)N |
2-CHLOROBENZENESULFONAMIDE |
| 24542 |  FB2 CHEMBL27601 ZINC000000330150 |
13 | C6 H7 N O2 S | InChI=1S/C6H7NO2S/c7-10(8 ,9)6-4-2-1-3-5-6/h1-5H,(H 2,7,8,9); KHBQMWCZKVMBLN-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)N; N[S](=O)(=O)c1cccc c1; O=S(=O)(N)c1ccccc1 |
benzenesulfonamide |
| 24543 |  FB4 ZINC000058631689 |
2 | C12 H9 Cl2 N O2 | InChI=1S/C12H9Cl2NO2/c13- 7-1-3-11(9(15)5-7)17-12-4 -2-8(14)6-10(12)16/h1-6,1 6H,15H2; ZNHVVJUATLQYST-UHFFFAOYSA-N |
Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2O; c1cc(c(cc1C l)N)Oc2ccc(cc2O)Cl |
2-(2-amino-4-chlorophenoxy)-5-chlorophenol |
| 24544 |  FB5 ZINC000170145029 |
1 | C7 H14 B F2 N O4 | InChI=1S/C7H14BF2NO4/c9-5 (10)7(11,6(12)13)3-1-2-4- 8(14)15/h5,14-15H,1-4,11H 2,(H,12,13)/t7-/m1/s1; QIYCLWKKKPVZJC-SSDOTTSWSA-N |
B(CCCCC(C(F)F)(C(=O)O)N)(O)O; N[C](CCCCB (O)O)(C(F)F)C(O)=O; B(CCCC[C@@](C(F)F)(C (=O)O)N)(O)O; N[C@](CCCCB(O)O)(C(F)F)C(O )=O; FC(F)C(N)(C(=O)O)CCCCB(O)O |
2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine |
| 24545 |  FB6 ZINC000170145026 |
1 | C7 H16 B N O4 | InChI=1S/C7H16BNO4/c1-7(9 ,6(10)11)4-2-3-5-8(12)13/ h12-13H,2-5,9H2,1H3,(H,10 ,11)/t7-/m0/s1; VJCNFQNUKLFMMR-ZETCQYMHSA-N |
B(CCCCC(C)(C(=O)O)N)(O)O; O=C(O)C(N)(CCC CB(O)O)C; C[C@](N)(CCCCB(O)O)C(O)=O; C[C ](N)(CCCCB(O)O)C(O)=O |
6-(dihydroxyboranyl)-2-methyl-L-norleucine |
| 24546 |  FB7 CHEMBL5192813 ZINC000147646972 |
3 | C19 H22 F3 N5 O2 | InChI=1S/C19H22F3N5O2/c20 -19(21,22)15-11-16(23)24- 12-14(15)13-9-17(26-1-5-2 8-6-2-26)25-18(10-13)27-3 -7-29-8-4-27/h9-12H,1-8H2 ,(H2,23,24); PYIZPPLCBSHXDH-UHFFFAOYSA-N |
c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F )(F)F)N; Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3 )N4CCOCC4)C(F)(F)F |
5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine; MBT147 |
| 24547 |  FB8 CHEMBL488436 ZINC000040442496 |
6 | C18 H21 N5 O2 S | InChI=1S/C18H21N5O2S/c1-1 2(2)23-13(3)20-11-17(23)1 6-9-10-19-18(22-16)21-14- 5-7-15(8-6-14)26(4,24)25/ h5-12H,1-4H3,(H,19,21,22); WJRRGYBTGDJBFX-UHFFFAOYSA-N |
Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O )(=O)C; CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3 )[S](C)(=O)=O)n2 |
4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine |
| 24548 |  FB9 |
1 | C34 H37 N3 O5 | InChI=1S/C34H37N3O5/c1-41 -22-30-33(25-11-9-24(10-1 2-25)8-7-23-5-3-2-4-6-23) 29-19-36(20-31(38)32(39)2 1-37(29)30)34(40)35-26-13 -15-27(16-14-26)42-28-17- 18-28/h2-6,9-16,28-33,38- 39H,17-22H2,1H3,(H,35,40) /t29-,30+,31+,32-,33+/m0/ s1; DJCBDEOPQMQGCA-AXJMTRDLSA-N |
COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12 )C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6c cccc6; COCC1C(C2N1CC(C(CN(C2)C(=O)Nc3ccc (cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6; C OC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](C N(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc 5)C#Cc6ccccc6; COC[C@@H]1[C@@H]([C@@H]2C N(C[C@@H](O)[C@@H](O)CN12)C(=O)Nc3ccc(OC 4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6 |
(3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide |
| 24549 |  FBA DB03243 |
1 | C7 H9 F N | InChI=1S/C7H8FN/c8-7-3-1- 6(5-9)2-4-7/h1-4H,5,9H2/p +1; IIFVWLUQBAIPMJ-UHFFFAOYSA-O |
Fc1ccc(cc1)C[NH3+]; c1cc(ccc1C[NH3+])F; [NH3+]Cc1ccc(F)cc1 |
4-FLUOROBENZYLAMINE |
| 24550 |  FBB CHEMBL98406 ZINC000017744334 |
13 | C7 H5 F N2 S | InChI=1S/C7H5FN2S/c8-4-1- 2-5-6(3-4)11-7(9)10-5/h1- 3H,(H2,9,10); CJLUXPZQUXVJNF-UHFFFAOYSA-N |
c1cc2c(cc1F)sc(n2)N; Nc1sc2cc(F)ccc2n1; Fc1ccc2nc(sc2c1)N |
6-fluoro-1,3-benzothiazol-2-amine |
| 24551 |  FBC CHEMBL432234 DB07753 ZINC000002513032 |
2 | C13 H8 F2 O2 | InChI=1S/C13H8F2O2/c14-11 -5-10(6-12(15)7-11)8-1-3- 9(4-2-8)13(16)17/h1-7H,(H ,16,17); VCEFNMHMLWBFNV-UHFFFAOYSA-N |
c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O; OC(=O)c1 ccc(cc1)c2cc(F)cc(F)c2; Fc2cc(c1ccc(C(=O )O)cc1)cc(F)c2 |
3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID |
| 24552 |  FBD CHEMBL1232667 DB07754 ZINC000039111997 |
1 | C16 H19 F N2 O7 S | InChI=1S/C16H19FN2O7S/c17 -10-3-1-9(2-4-10)7-27-8-1 2(15(24)25)19-16(26)18-11 (14(22)23)5-6-13(20)21/h1 -4,11-12H,5-8H2,(H,20,21) (H,22,23)(H,24,25)(H2,18, 19,26)/t11-,12-/m0/s1; IDTMSHGCAZPVLC-RYUDHWBXSA-N |
c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H]( CCC(=O)O)C(=O)O)F; c1cc(ccc1CSCC(C(=O)O) NC(=O)NC(CCC(=O)O)C(=O)O)F; OC(=O)CC[CH] (NC(=O)N[CH](CSCc1ccc(F)cc1)C(O)=O)C(O)= O; Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O) O)CCC(=O)O; OC(=O)CC[C@H](NC(=O)N[C@@H]( CSCc1ccc(F)cc1)C(O)=O)C(O)=O |
N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid; (S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid |
| 24553 |  FBE |
0 | C5 H9 N O2 | InChI=1S/C5H9NO2/c6-4-2-1 -3-5(7)8/h1-2H,3-4,6H2,(H ,7,8)/b2-1+; IACMVGAGEKETDA-OWOJBTEDSA-N |
NC/C=C/CC(O)=O; O=C(O)C/C=C/CN; C(C=CCN) C(=O)O; NCC=CCC(O)=O; C(/C=C/CN)C(=O)O |
(3E)-5-aminopent-3-enoic acid |
| 24554 |  FBF CHEMBL1921972 ZINC000000118910 |
3 | C8 H7 F3 N2 | InChI=1S/C8H7F3N2/c9-8(10 ,11)6-3-1-5(2-4-6)7(12)13 /h1-4H,(H3,12,13); XFLGYXVBXUAGQV-UHFFFAOYSA-N |
NC(=N)c1ccc(cc1)C(F)(F)F; [H]/N=C(/c1ccc (cc1)C(F)(F)F)\N; FC(F)(F)c1ccc(C(=[N@H] )N)cc1; c1cc(ccc1C(=N)N)C(F)(F)F |
4-(trifluoromethyl)benzenecarboximidamide |
| 24555 |  FBG ZINC000004271828 |
2 | C9 H7 F O4 | InChI=1S/C9H7FO4/c10-6-1- 5-3-13-4-14-8(5)7(2-6)9(1 1)12/h1-2H,3-4H2,(H,11,12 ); HWBALMSPYAUMMB-UHFFFAOYSA-N |
OC(=O)c1cc(F)cc2COCOc12; O=C(O)c2cc(F)cc 1c2OCOC1; c1c(cc(c2c1COCO2)C(=O)O)F |
6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid |
| 24556 |  FBI ZINC000033821292 |
8 | C22 H30 F N3 O6 S | InChI=1S/C22H30FN3O6S/c1- 13(2)20-18(10-9-16(27)11- 17(28)12-19(29)30)21(14-5 -7-15(23)8-6-14)25-22(24- 20)26(3)33(4,31)32/h5-8,1 3,16-17,27-28H,9-12H2,1-4 H3,(H,29,30)/t16-,17-/m1/ s1; ZVPAUNJUMAQCNK-IAGOWNOFSA-N |
CC(C)c1nc(nc(c2ccc(F)cc2)c1CC[C@@H](O)C[ C@@H](O)CC(O)=O)N(C)[S](C)(=O)=O; O=S(=O )(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O )c2ccc(F)cc2)C)C; CC(C)c1c(c(nc(n1)N(C)S (=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC( =O)O)O)O; CC(C)c1c(c(nc(n1)N(C)S(=O)(=O) C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O; CC(C)c 1nc(nc(c2ccc(F)cc2)c1CC[CH](O)C[CH](O)CC (O)=O)N(C)[S](C)(=O)=O |
7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID; ROSUVASTATIN |
| 24557 |  FBJ CHEMBL2333346 ZINC000095589020 |
2 | C6 H9 N O2 | InChI=1S/C6H9NO2/c8-6(7-9 )5-3-1-2-4-5/h3,9H,1-2,4H 2,(H,7,8); RYYGSXXWQSXKRP-UHFFFAOYSA-N |
C(=O)(C1=CCCC1)NO; C1CC=C(C1)C(=O)NO; ON C(=O)C1=CCCC1 |
N-hydroxycyclopent-1-ene-1-carboxamide; cyclopentenylhydroxamate |
| 24558 |  FBK |
1 | C18 H13 N O3 | InChI=1S/C18H13NO3/c20-15 -7-2-5-13(11-15)17-9-3-8- 16(19-17)12-4-1-6-14(10-1 2)18(21)22/h1-11,20H,(H,2 1,22); RGVPEEGFSSWQPL-UHFFFAOYSA-N |
Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O; c 1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O |
3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid |
| 24559 |  FBL DB07755 ZINC000003581441 |
1 | C21 H23 Cl2 N5 O2 | InChI=1S/C21H23Cl2N5O2/c1 -28(2)12-16(29)13-30-17-6 -4-15(5-7-17)25-21-24-10- 9-20(27-21)26-19-11-14(22 )3-8-18(19)23/h3-11,16,29 H,12-13H2,1-2H3,(H2,24,25 ,26,27)/t16-/m0/s1; GNLAGGCSJGJECE-INIZCTEOSA-N |
CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc 3Cl)Cl)O; CN(C)C[C@H](O)COc1ccc(Nc2nccc( Nc3cc(Cl)ccc3Cl)n2)cc1; Clc1cc(c(Cl)cc1) Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C )C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(cc c3Cl)Cl)O; CN(C)C[CH](O)COc1ccc(Nc2nccc( Nc3cc(Cl)ccc3Cl)n2)cc1 |
(2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL |
| 24560 |  FBM CHEMBL2333344 |
2 | C7 H11 N O2 | InChI=1S/C7H11NO2/c9-7(8- 10)6-4-2-1-3-5-6/h4,10H,1 -3,5H2,(H,8,9); NMUKJRPCVOESRU-UHFFFAOYSA-N |
C1CCC(=CC1)C(=O)NO; C1C(C(=O)NO)=CCCC1; ONC(=O)C1=CCCCC1 |
N-hydroxycyclohex-1-ene-1-carboxamide; cyclohexenylhydroxamate |
| 24561 |  FBN ZINC000058660716 |
1 | C20 H20 N10 O8 | InChI=1S/C20H20N10O8/c21- 17-13-18(24-6-23-17)29(7- 25-13)20-16(34)15(33)12(3 8-20)5-28-4-8(26-27-28)3- 22-19(35)10-1-9(30(36)37) 2-11(31)14(10)32/h1-2,4,6 -7,12,15-16,20,31-34H,3,5 H2,(H,22,35)(H2,21,23,24) /t12-,15-,16-,20-/m1/s1; KWTYQIOJSHGBKG-VXHCAWKWSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](Cn4cc(CNC(=O) c5cc(cc(O)c5O)[N+]([O-])=O)nn4)[CH](O)[C H]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](Cn4c c(CNC(=O)c5cc(cc(O)c5O)[N+]([O-])=O)nn4) [C@@H](O)[C@H]3O; [O-][N+](=O)c1cc(c(O)c (O)c1)C(=O)NCc2nnn(c2)CC5OC(n4cnc3c(ncnc 34)N)C(O)C5O; c1c(cc(c(c1C(=O)NCc2cn(nn2 )C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4n cnc5N)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C (=O)NCc2cn(nn2)CC3C(C(C(O3)n4cnc5c4ncnc5 N)O)O)O)O)[N+](=O)[O-] |
5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine; N-[(1-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihy droxy-5-nitrobenzamide |
| 24562 |  FBO ZINC000071318285 |
1 | C23 H30 N4 O5 | InChI=1S/C23H30N4O5/c24-1 9(15-17-9-3-1-4-10-17)21( 28)26-20(22(29)27-31)13-7 -8-14-25-23(30)32-16-18-1 1-5-2-6-12-18/h1-6,9-12,1 9-20,31H,7-8,13-16,24H2,( H,25,30)(H,26,28)(H,27,29 )/t19-,20-/m0/s1; YGHNIVJEKSKDJB-PMACEKPBSA-N |
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O )OCc2ccccc2)C(=O)NO; O=C(NO)C(NC(=O)C(N) Cc1ccccc1)CCCCNC(=O)OCc2ccccc2; c1ccc(cc 1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccc cc2)C(=O)NO)N; N[CH](Cc1ccccc1)C(=O)N[CH ](CCCCNC(=O)OCc2ccccc2)C(=O)NO; c1ccc(cc 1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)N O)N |
L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide |
| 24563 |  FBP CHEMBL97893 DB04551 ZINC000004096694 |
745 | C6 H14 O12 P2 | InChI=1S/C6H14O12P2/c7-4- 3(1-16-19(10,11)12)18-6(9 ,5(4)8)2-17-20(13,14)15/h 3-5,7-9H,1-2H2,(H2,10,11, 12)(H2,13,14,15)/t3-,4-,5 +,6-/m1/s1; RNBGYGVWRKECFJ-ARQDHWQXSA-N |
O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[ C@@H]1CO[P](O)(O)=O; O[CH]1[CH](O)[C](O) (CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O; O=P( O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O; C(C1 C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O; C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O )O)O)O)O)OP(=O)(O)O |
1,6-di-O-phosphono-beta-D-fructofuranose; BETA-FRUCTOSE-1,6-DIPHOSPHATE; FRUCTOSE-1,6-BISPHOSPHATE; 1,6-di-O-phosphono-beta-D-fructose; 1,6-di-O-phosphono-D-fructose; 1,6-di-O-phosphono-fructose |
| 24564 |  FBQ DB07756 ZINC000003581327 |
1 | C20 H18 F4 N2 O2 S | InChI=1S/C20H18F4N2O2S/c1 -11-14(18(25)17-15(21)6-3 -7-16(17)26-11)10-29-9-12 -4-2-5-13(8-12)19(27,28)2 0(22,23)24/h2-8,27-28H,9- 10H2,1H3,(H2,25,26); GPBGHVRNVGXPNM-UHFFFAOYSA-N |
Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C( F)(F)F)(O)O; FC(F)(F)C(O)(O)c1cccc(c1)CS Cc2c(c3c(F)cccc3nc2C)N; Cc1nc2cccc(F)c2c (N)c1CSCc3cccc(c3)C(O)(O)C(F)(F)F |
1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL; 4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE |
| 24565 |  FBR CHEMBL211614 DB07757 ZINC000016052063 |
1 | C17 H19 Br O2 | InChI=1S/C17H19BrO2/c1-2- 3-7-17-8-6-14(20)16(18)15 (17)13-5-4-12(19)9-11(13) 10-17/h4-5,9,19H,2-3,6-8, 10H2,1H3/t17-/m0/s1; FTEBGBCQCYMDPH-KRWDZBQOSA-N |
CCCCC12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CCC C[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CC CC[C@@]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; C CCC[C]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; O= C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3 |
(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one |
| 24566 |  FBS CHEMBL1232673 DB01784 ZINC000002571408 |
3 | C6 H6 F N O2 S | InChI=1S/C6H6FNO2S/c7-5-1 -3-6(4-2-5)11(8,9)10/h1-4 H,(H2,8,9,10); LFLSATHZMYYIAQ-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(F)cc1; c1cc(ccc1F)S(=O )(=O)N; c1(ccc(cc1)S(=O)(=O)N)F |
4-FLUOROBENZENESULFONAMIDE |
| 24567 |  FBT DB03270 ZINC000000404039 |
3 | C6 H5 F2 N O2 S | InChI=1S/C6H5F2NO2S/c7-4- 2-1-3-5(8)6(4)12(9,10)11/ h1-3H,(H2,9,10,11); RVVVGGCOFWWDEL-UHFFFAOYSA-N |
c1cc(c(c(c1)F)S(=O)(=O)N)F; O=S(=O)(c1c( F)cccc1F)N; N[S](=O)(=O)c1c(F)cccc1F |
2,6-DIFLUOROBENZENESULFONAMIDE |
| 24568 |  FBU DB02087 ZINC000002576766 |
2 | C6 H5 F2 N O2 S | InChI=1S/C6H5F2NO2S/c7-4- 1-5(8)3-6(2-4)12(9,10)11/ h1-3H,(H2,9,10,11); MKQPOVUFDWKPNO-UHFFFAOYSA-N |
N[S](=O)(=O)c1cc(F)cc(F)c1; Fc1cc(cc(F)c 1)S(=O)(=O)N; c1c(cc(cc1F)S(=O)(=O)N)F |
3,5-DIFLUOROBENZENESULFONAMIDE |
| 24569 |  FBV ZINC000000155614 |
8 | C6 H6 F N O2 S | InChI=1S/C6H6FNO2S/c7-5-3 -1-2-4-6(5)11(8,9)10/h1-4 H,(H2,8,9,10); WFLBWYLZCQOPCA-UHFFFAOYSA-N |
O=S(=O)(c1ccccc1F)N; c1ccc(c(c1)F)S(=O)( =O)N; N[S](=O)(=O)c1ccccc1F |
2-fluorobenzenesulfonamide |
| 24570 |  FBW ZINC000000404040 |
2 | C6 H6 F N O2 S | InChI=1S/C6H6FNO2S/c7-5-2 -1-3-6(4-5)11(8,9)10/h1-4 H,(H2,8,9,10); CRINBBOGNYCAOV-UHFFFAOYSA-N |
N[S](=O)(=O)c1cccc(F)c1; c1cc(cc(c1)S(=O )(=O)N)F; O=S(=O)(c1cc(F)ccc1)N |
3-fluorobenzenesulfonamide |
| 24571 |  FBX CHEMBL41355 DB04953 ZINC000000016154 |
17 | C16 H18 F N3 O2 | InChI=1S/C16H18FN3O2/c1-2 -22-16(21)20-15-8-7-13(9- 14(15)18)19-10-11-3-5-12( 17)6-4-11/h3-9,19H,2,10,1 8H2,1H3,(H,20,21); PCOBBVZJEWWZFR-UHFFFAOYSA-N |
CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F; CCOC( =O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate; Retigabine, Ezogabine |
| 24572 |  FBY CHEMBL5563756 |
2 | C18 H21 F2 N5 O2 | InChI=1S/C18H21F2N5O2/c1- 4-5-6-25-14-9-21-18(23-16 (14)24(3)10(2)17(25)27)22 -11-7-12(19)15(26)13(20)8 -11/h7-10,26H,4-6H2,1-3H3 ,(H,21,22,23)/t10-/m1/s1; IQHUYDHFNRXPGH-SNVBAGLBSA-N |
CCCCN1c2cnc(nc2N(C(C1=O)C)C)Nc3cc(c(c(c3 )F)O)F; CCCCN1C(=O)[CH](C)N(C)c2nc(Nc3cc (F)c(O)c(F)c3)ncc12; c3(F)cc(Nc1nc2c(cn1 )N(C(=O)C(C)N2C)CCCC)cc(c3O)F; CCCCN1c2c nc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O )F; CCCCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F )c(O)c(F)c3)ncc12 |
(7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one |
| 24573 |  FBZ ZINC000000388112 |
1 | C10 H12 O2 | InChI=1S/C10H12O2/c1-8(7- 10(11)12)9-5-3-2-4-6-9/h2 -6,8H,7H2,1H3,(H,11,12)/t 8-/m0/s1; ZZEWMYILWXCRHZ-QMMMGPOBSA-N |
CC(CC(=O)O)c1ccccc1; C[C@@H](CC(=O)O)c1c cccc1; C[CH](CC(O)=O)c1ccccc1; C[C@@H](C C(O)=O)c1ccccc1; O=C(O)CC(c1ccccc1)C |
(3S)-3-phenylbutanoic acid |
| 24574 |  FC0 ZINC000034175426 |
0 | C10 H11 N O4 | InChI=1S/C10H11NO4/c12-9( 13)8(11-10(14)15)6-7-4-2- 1-3-5-7/h1-5,8,11H,6H2,(H ,12,13)(H,14,15)/t8-/m0/s 1; XXGPNEDZNRZWPK-QMMMGPOBSA-N |
c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O; c1ccc( cc1)CC(C(=O)O)NC(=O)O; OC(=O)N[CH](Cc1cc ccc1)C(O)=O; O=C(O)C(NC(=O)O)Cc1ccccc1; OC(=O)N[C@@H](Cc1ccccc1)C(O)=O |
N-CARBOXY-L-PHENYLALANINE |
| 24575 |  FC1 DB02462 ZINC000012502122 |
1 | C14 H17 N O2 S | InChI=1S/C14H17NO2S/c1-15 (2)8-5-9-17-12-10-14(16)1 8-13-7-4-3-6-11(12)13/h3- 4,6-7,10H,5,8-9H2,1-2H3; DIOZFKOOIBATNZ-UHFFFAOYSA-N |
CN(C)CCCOC1=CC(=O)Sc2ccccc12; CN(C)CCCOC 1=CC(=O)Sc2c1cccc2; O=C2Sc1ccccc1C(OCCCN (C)C)=C2 |
THIOCOUMARIN |
| 24576 |  FC2 CHEMBL370437 DB07758 ZINC000000156746 |
1 | C11 H6 Cl2 O3 | InChI=1S/C11H6Cl2O3/c12-6 -1-2-8(13)7(5-6)9-3-4-10( 16-9)11(14)15/h1-5H,(H,14 ,15); ATAZLMGGQQLRBC-UHFFFAOYSA-N |
c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl; OC(=O)c 1oc(cc1)c2cc(Cl)ccc2Cl; O=C(O)c2oc(c1c(C l)ccc(Cl)c1)cc2 |
5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID |
| 24577 |  FC3 CHEMBL200377 DB07759 ZINC000000349812 |
1 | C12 H7 F3 O3 | InChI=1S/C12H7F3O3/c13-12 (14,15)8-4-2-1-3-7(8)9-5- 6-10(18-9)11(16)17/h1-6H, (H,16,17); IJPNRBZMRINMMR-UHFFFAOYSA-N |
c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F; O=C (O)c2oc(c1c(cccc1)C(F)(F)F)cc2; OC(=O)c1 oc(cc1)c2ccccc2C(F)(F)F |
5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID |
| 24578 |  FC4 ZINC000096269988 |
1 | C20 H16 Cl N5 O4 S2 | InChI=1S/C20H16ClN5O4S2/c 1-11(18(27)24-14-6-8-15(9 -7-14)32(23,29)30)31-20-2 5-17(16(10-22)19(28)26-20 )12-2-4-13(21)5-3-12/h2-9 ,11H,1H3,(H,24,27)(H2,23, 29,30)(H,25,26,28)/t11-/m 1/s1; JDIGFAGHWNBGPU-LLVKDONJSA-N |
C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)cc2 )C(=O)Nc3ccc(cc3)[S](N)(=O)=O; c1cc(Cl)c cc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3 )S(=O)(=O)N)C#N; C[C@@H](SC1=NC(=C(C#N)C (=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)[S]( N)(=O)=O; C[C@H](C(=O)Nc1ccc(cc1)S(=O)(= O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl; CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C( C(=O)N2)C#N)c3ccc(cc3)Cl |
(2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
| 24579 |  FC5 CHEMBL1957177 |
1 | C9 H6 O2 S | InChI=1S/C9H6O2S/c10-7-2- 3-8-6(5-7)1-4-9(12)11-8/h 1-5,10H; FGHZVFOCIYABBE-UHFFFAOYSA-N |
c1cc2c(cc1O)C=CC(=S)O2; Oc1ccc2OC(=S)C=C c2c1; S=C2Oc1ccc(O)cc1C=C2 |
6-hydroxy-2H-chromene-2-thione |
| 24580 |  FC6 |
80 | C6 Fe N6 | InChI=1S/6CN.Fe/c6*1-2;; HCMVSLMENOCDCK-UHFFFAOYSA-N |
C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N; N#C[Fe ](C#N)(C#N)(C#N)(C#N)C#N |
HEXACYANOFERRATE(3-); FERRI(III)HEXACYANIDE |
| 24581 |  FC7 CHEMBL3814342 |
3 | C32 H50 O9 | InChI=1S/C32H50O9/c1-15(2 )22-19-10-11-37-29(19)32( 6)12-20-17(13-36-7)8-9-18 (20)16(3)24(33)28(23(22)3 2)40-30-26(35)25(34)27-21 (39-30)14-38-31(4,5)41-27 /h12,15-19,21,24-30,33-35 H,8-11,13-14H2,1-7H3/b20- 12-/t16-,17-,18+,19+,21-, 24-,25-,26-,27-,28-,29+,3 0-,32-/m1/s1; VVWLHUXTBJWIOB-YGTMNZBKSA-N |
CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C (C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC; O 5C(OC4C2=C(C(C)C)C1CCOC1C2(C=C3C(COC)CCC 3C(C)C4O)C)C(O)C(O)C6OC(OCC56)(C)C; COC[ CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH ]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C(C) C)[CH]6CCO[CH]6[C]5(C)C=C12; C[C@@H]1[C@ @H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO 4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@ H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C) C)COC; COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H] (O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4 [C@H](O)[C@H]3O)C5=C(C(C)C)[C@@H]6CCO[C@ @H]6[C@]5(C)\C=C1\2 |
Fusicoccin A-THF; (1S,3aS,4R,5R,6R,7aS,10aS,10bR)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside |
| 24582 |  FC8 CHEMBL367625 ZINC000002583998 |
2 | C19 H24 Cl N7 | InChI=1S/C19H24ClN7/c1-2- 27-11-22-16-17(23-13-7-5- 6-12(20)10-13)25-19(26-18 (16)27)24-15-9-4-3-8-14(1 5)21/h5-7,10-11,14-15H,2- 4,8-9,21H2,1H3,(H2,23,24, 25,26)/t14-,15+/m0/s1; UTBSBSOBZHXMHI-LSDHHAIUSA-N |
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N ; CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4 CCCC[C@@H]4N; CCn1cnc2c(Nc3cccc(Cl)c3)nc (N[CH]4CCCC[CH]4N)nc12; CCn1cnc2c(Nc3ccc c(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12 |
~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine |
| 24583 |  FC9 CHEMBL3741975 ZINC000263621284 |
1 | C30 H22 N6 O7 S2 | InChI=1S/C30H22N6O7S2/c31 -45(41,42)21-6-2-18(3-7-2 1)36-15-17(34-35-36)14-32 -30(44)33-16-1-8-22(25(11 -16)29(39)40)28-23-9-4-19 (37)12-26(23)43-27-13-20( 38)5-10-24(27)28/h1-13,15 ,37H,14H2,(H,39,40)(H2,31 ,41,42)(H2,32,33,44); YKWZALQMWYUDGJ-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)n2nnc(c2)CNC(=S)Nc6c cc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c( C(=O)O)c6; N[S](=O)(=O)c1ccc(cc1)n2cc(CN C(=S)Nc3ccc(c(c3)C(O)=O)C4=C5C=CC(=O)C=C 5Oc6cc(O)ccc46)nn2; c1cc(ccc1n2cc(nn2)CN C(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C 5Oc6c4ccc(c6)O)S(=O)(=O)N |
2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid |
| 24584 |  FCA CHEMBL609880 DB03485 ZINC000001532815 |
5 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2-3(7 )4(8)5(9)6(10)11-2/h2-10H ,1H3/t2-,3+,4+,5-,6+/m1/s 1; SHZGCJCMOBCMKK-PHYPRBDBSA-N |
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O )O)O; OC1C(O)C(OC(O)C1O)C; C[C@H]1O[C@H] (O)[C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C( O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O) [CH]1O |
alpha-D-fucopyranose; alpha-D-fucose; 6-deoxy-alpha-D-galactopyranose; D-fucose; fucose |
| 24585 |  FCB DB04062 ZINC000001532816 |
15 | C6 H12 O5 | InChI=1S/C6H12O5/c1-2-3(7 )4(8)5(9)6(10)11-2/h2-10H ,1H3/t2-,3+,4+,5-,6-/m1/s 1; SHZGCJCMOBCMKK-FPRJBGLDSA-N |
OC1C(O)C(OC(O)C1O)C; C[C@@H]1[C@@H]([C@@ H]([C@H]([C@@H](O1)O)O)O)O; C[C@H]1O[C@@ H](O)[C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C( C(O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH]( O)[CH]1O |
beta-D-fucopyranose; beta-D-fucose; 6-deoxy-beta-D-galactopyranose; D-fucose; fucose |
| 24586 |  FCC CHEMBL319111 DB13806 ZINC000000537908 |
0 | C26 H21 N3 O | InChI=1S/C26H21N3O/c30-25 -26(18-20-10-14-27-15-11- 20,19-21-12-16-28-17-13-2 1)23-8-4-5-9-24(23)29(25) 22-6-2-1-3-7-22/h1-17H,18 -19H2; YEJCDKJIEMIWRQ-UHFFFAOYSA-N |
O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5c cncc5; c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4cc ncc4)Cc5ccncc5 |
1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one; Linopirdine |
| 24587 |  FCD CHEMBL200238 DB02909 ZINC000000280585 |
3 | C11 H7 Cl O3 | InChI=1S/C11H7ClO3/c12-8- 4-2-1-3-7(8)9-5-6-10(15-9 )11(13)14/h1-6H,(H,13,14); PJGGWIHXGHQXMM-UHFFFAOYSA-N |
O=C(O)c2oc(c1c(Cl)cccc1)cc2; OC(=O)c1oc( cc1)c2ccccc2Cl; c1ccc(c(c1)c2ccc(o2)C(=O )O)Cl |
5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID |
| 24588 |  FCE |
8 | C27 H42 Fe N9 O12 | InChI=1S/C27H42N9O12.Fe/c 1-16(37)34(46)10-4-7-19-2 5(43)30-14-23(41)28-13-22 (40)29-15-24(42)31-20(8-5 -11-35(47)17(2)38)26(44)3 3-21(27(45)32-19)9-6-12-3 6(48)18(3)39;/h19-21H,4-1 5H2,1-3H3,(H,28,41)(H,29, 40)(H,30,43)(H,31,42)(H,3 2,45)(H,33,44);/q-3;+3/t1 9-,20-,21-;/m0./s1; GGUNGDGGXMHBMJ-OCIDDWSYSA-N |
CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(C CCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O )N[C@@H](CCCN1O5)C(=O)N6)C; CC1=O|[Fe]2| 345|O=C(C)[N@@](CCC[C@@H]6NC(=O)[C@H](CC C[N@@](O2)C(=O|3)C)NC(=O)[C@H](CCC[N@@]1 O4)NC(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O| [Fe]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](C CC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)N C(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O[Fe]2 345O=C(N(O2)CCCC6C(=O)NCC(=O)NCC(=O)NCC( =O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C( =O)N6)C; O=C1NCC(=O)NCC(=O)NCC(=O)NC5C(= O)NC3C(=O)NC1CCCN6O[Fe]24(O=C(N(O2)CCC3) C)(O=C(N(O4)CCC5)C)O=C6C |
FERRICHROME |
| 24589 |  FCF CHEMBL1213371 DB07760 ZINC000058568694 |
1 | C15 H14 N4 O6 | InChI=1S/C15H14N4O6/c20-1 3-7-12(18-15(23)19-13)9-1 7-25-5-4-24-16-8-10-2-1-3 -11(6-10)14(21)22/h1-3,6- 9H,4-5H2,(H,21,22)(H2,18, 19,20,23)/b16-8+,17-9+; TUYDQQMKXSQIQG-GONBZBRSSA-N |
OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2 )c1; O=C2NC(\C=N\OCCO\N=C\c1cccc(C(=O)O) c1)=CC(=O)N2; c1cc(cc(c1)C(=O)O)\C=N\OCC O/N=C/C2=CC(=O)NC(=O)N2; OC(=O)c1cccc(/C =N/OCCO\N=C\C2=CC(=O)NC(=O)N2)c1; c1cc(c c(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2 |
3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid |
| 24590 |  FCG ZINC000263620609 |
2 | C30 H43 N9 O16 P2 | InChI=1S/C30H43N9O16P2/c1 -12-5-14-15(6-13(12)2)39- 19(42)3-4-30(39)27(35-29( 47)36-28(30)46)37(14)7-16 (40)21(43)17(41)8-52-56(4 8,49)55-57(50,51)53-9-18- 22(44)23(45)26(54-18)38-1 1-34-20-24(31)32-10-33-25 (20)38/h5-6,10-11,16-19,2 1-23,26-28,40-46H,3-4,7-9 H2,1-2H3,(H,48,49)(H,50,5 1)(H2,31,32,33)(H2,35,36, 47)/t16-,17+,18+,19+,21-, 22+,23+,26+,27-,28+,30-/m 0/s1; JIPQJEPHOHUOJG-VWUOBWNNSA-N |
Cc1cc2N(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)[CH]6NC(=O)N[CH](O)[C]6 7CC[CH](O)N7c2cc1C; O=C2NC(O)C73N(c1cc(c (cc1N(C3N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O) (O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)C (O)CC7; Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@] 34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O )O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H] (O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O) O; Cc1cc2c(cc1C)N3C(CCC34C(N2CC(C(C(COP( =O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc 7N)O)O)O)O)O)NC(=O)NC4O)O; Cc1cc2N(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)n 4cnc5c(N)ncnc45)[C@@H]6NC(=O)N[C@H](O)[C @]67CC[C@@H](O)N7c2cc1C |
(N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE |
| 24591 |  FCH ZINC000098208872 |
0 | C17 H28 N2 O | InChI=1S/C17H28N2O/c18-16 (11-14-7-3-1-4-8-14)17(20 )13-19-12-15-9-5-2-6-10-1 5/h1,3-4,7-8,15-17,19-20H ,2,5-6,9-13,18H2/t16-,17+ /m0/s1; ZXSVBSSNAIRCGF-DLBZAZTESA-N |
c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N ; N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2; OC (CNCC1CCCCC1)C(N)Cc2ccccc2; N[C@@H](Cc1c cccc1)[C@H](O)CNCC2CCCCC2; c1ccc(cc1)CC( C(CNCC2CCCCC2)O)N |
(2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol |
| 24592 |  FCI |
4 | C28 H44 Fe N9 O13 | InChI=1S/C28H44N9O13.Fe/c 1-16(39)35(48)10-4-7-19-2 5(44)29-14-24(43)32-22(15 -38)26(45)30-13-23(42)31- 20(8-5-11-36(49)17(2)40)2 7(46)34-21(28(47)33-19)9- 6-12-37(50)18(3)41;/h19-2 2,38H,4-15H2,1-3H3,(H,29, 44)(H,30,45)(H,31,42)(H,3 2,43)(H,33,47)(H,34,46);/ q-3;+3/t19-,20-,21-,22+;/ m0./s1; FNBCUYMSQPYITB-AFXYHRJJSA-N |
CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC( =O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C (=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C ; CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO )NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N]( CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C; CC( =O)[N@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H](CO )NC(=O)CNC(=O)[C@@H]3CCC[N@](O[Fe](O1)O[ N@@](CCC[C@H](NC2=O)C(=O)N3)C(=O)C)C(=O) C; CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(= O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN (O4)C(=O5)C)C(=O)N6)CO)C |
FERRICROCIN-IRON |
| 24593 |  FCJ |
1 | C11 H18 N5 O11 P3 | InChI=1S/C11H18N5O11P3/c1 2-10-9-11(14-3-13-10)16(4 -15-9)8-1-6(17)7(26-8)2-2 5-30(23,24)27-29(21,22)5- 28(18,19)20/h3-4,6-8,17H, 1-2,5H2,(H,21,22)(H,23,24 )(H2,12,13,14)(H2,18,19,2 0)/t6-,7+,8+/m0/s1; GSNPMYZTZSIIIC-XLPZGREQSA-N |
Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO [P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3; c1 nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)C OP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N; c3n(C1 OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O) c2c(c(ncn2)N)n3; c1nc(c2c(n1)n(cn2)C3CC( C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P]( O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3 |
2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine |
| 24594 |  FCK CHEMBL1213372 ZINC000058568805 |
1 | C16 H18 N4 O5 | InChI=1S/C16H18N4O5/c21-1 4-8-13(19-16(24)20-14)10- 18-25-6-2-5-17-9-11-3-1-4 -12(7-11)15(22)23/h1,3-4, 7-8,10,17H,2,5-6,9H2,(H,2 2,23)(H2,19,20,21,24)/b18 -10+; CZTGLADCGFOCLD-VCHYOVAHSA-N |
O=C2NC(\C=N\OCCCNCc1cc(C(=O)O)ccc1)=CC(= O)N2; c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(= O)NC(=O)N2; OC(=O)c1cccc(CNCCCON=CC2=CC( =O)NC(=O)N2)c1; OC(=O)c1cccc(CNCCCO/N=C/ C2=CC(=O)NC(=O)N2)c1 |
3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid |
| 24595 |  FCL CHEMBL1232684 ZINC000002572523 |
1 | C9 H10 Cl N O2 | InChI=1S/C9H10ClNO2/c10-7 -3-1-2-6(4-7)5-8(11)9(12) 13/h1-4,8H,5,11H2,(H,12,1 3)/t8-/m0/s1; JJDJLFDGCUYZMN-QMMMGPOBSA-N |
c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N; Clc1cc(c cc1)CC(C(=O)O)N; c1cc(cc(c1)Cl)CC(C(=O)O )N; N[CH](Cc1cccc(Cl)c1)C(O)=O; N[C@@H]( Cc1cccc(Cl)c1)C(O)=O |
3-CHLORO-L-PHENYLALANINE |
| 24596 |  FCM CHEMBL2042814 ZINC000059766309 |
1 | C30 H26 F N O7 | InChI=1S/C30H26FNO7/c1-5- 15-10-19(31)17-9-7-6-8-16 (17)18(15)13-32-29(37)25- 22(38-4)11-21(35)26-27(25 )39-23-12-20(34)24(14(2)3 3)28(36)30(23,26)3/h6-12, 34-35H,5,13H2,1-4H3,(H,32 ,37)/t30-/m1/s1; FSXXQAXUJKNDPO-SSEXGKCCSA-N |
CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=C C(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F; Fc2c 1c(cccc1)c(c(c2)CC)CNC(=O)c4c3OC5=CC(O)= C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C; CCc1cc(F )c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC (=C(C(C)=O)C(=O)[C]45C)O; CCc1cc(F)c2ccc cc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C( C)=O)C(=O)[C@@]45C)O; CCc1cc(c2ccccc2c1C NC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(= O)C)O)O)OC)F |
(9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide |
| 24597 |  FCN CHEMBL1757 DB00828 ZINC000001530427 |
48 | C3 H7 O4 P | InChI=1S/C3H7O4P/c1-2-3(7 -2)8(4,5)6/h2-3H,1H3,(H2, 4,5,6)/t2-,3+/m0/s1; YMDXZJFXQJVXBF-STHAYSLISA-N |
C[C@@H]1O[C@@H]1[P](O)(O)=O; C[C@H]1[C@H ](O1)P(=O)(O)O; O=P(O)(O)C1OC1C; CC1C(O1 )P(=O)(O)O; C[CH]1O[CH]1[P](O)(O)=O |
FOSFOMYCIN; 1,2-EPOXYPROPYLPHOSPHONIC ACID |
| 24598 |  FCO |
227 | C3 Fe N2 O | InChI=1S/2CN.CO.Fe/c3*1-2 ;; VBQUCMTXYFMTTE-UHFFFAOYSA-N |
C(#N)[Fe](=C=O)C#N; N#C\[Fe](C#N)=C=O; O =C=[Fe](C#N)C#N |
CARBONMONOXIDE-(DICYANO) IRON |
| 24599 |  FCP DB07761 ZINC000003581444 |
1 | C21 H23 F2 N5 O2 | InChI=1S/C21H23F2N5O2/c1- 28(2)11-15(29)12-30-16-8- 6-14(7-9-16)26-19-10-20(2 5-13-24-19)27-21-17(22)4- 3-5-18(21)23/h3-10,13,15, 29H,11-12H2,1-2H3,(H2,24, 25,26,27)/t15-/m1/s1; ZVSBKYYVBCKDBO-OAHLLOKOSA-N |
CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc 3F)ncn2)cc1; CN(C)C[CH](O)COc1ccc(Nc2cc( Nc3c(F)cccc3F)ncn2)cc1; CN(C)CC(COc1ccc( cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O; Fc1cccc( F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3; CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c( cccc3F)F)O |
(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL |
| 24600 |  FCQ CHEMBL4540226 |
1 | C22 H25 N7 S | InChI=1S/C22H25N7S/c1-14( 2)18-19-20(29-28-18)21(27 -22(26-19)30-12-10-23)25- 13-15-6-8-16(9-7-15)17-5- 3-4-11-24-17/h3-9,11,14H, 10,12-13,23H2,1-2H3,(H,28 ,29)(H,25,26,27); PCQPAKMJSYGXRE-UHFFFAOYSA-N |
CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4cc ccn4)n[nH]1; CC(C)c1[nH]nc2c(NCc3ccc(cc3 )c4ccccn4)nc(SCCN)nc12 |
5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |