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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 21001 | FOI ZINC000064746572 |
2 | C18 H15 N3 O4 | InChI=1S/C18H15N3O4/c1-24 -18(22)17-16(13-6-7-19-9- 15(13)25-17)20-11-3-4-12- 10(8-11)2-5-14(12)21-23/h 2-9,11,20-21,23H,1H3/t11- /m0/s1; JUENRCGOCJWDSD-NSHDSACASA-N |
COC(=O)c1oc2cnccc2c1N[CH]3C=CC4=C(NO)C=C C4=C3; COC(=O)c1oc2cnccc2c1N[C@H]3C=CC4= C(NO)C=CC4=C3; O=C(OC)c2oc1cnccc1c2NC4C= CC3=C(NO)C=CC3=C4; COC(=O)c1c(c2ccncc2o1 )NC3C=CC4=C(C=CC4=C3)NO |
methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate; (E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate |
| 21002 | FOJ CHEMBL4175320 ZINC000521836526 |
1 | C16 H8 F5 N O4 S | InChI=1S/C16H8F5NO4S/c17- 8-3-7(6-22)4-9(5-8)26-10- 1-2-11-13(12(10)15(18)19) 14(23)16(20,21)27(11,24)2 5/h1-5,14-15,23H/t14-/m1/ s1; HZDKYXAZAPXCKQ-CQSZACIVSA-N |
c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)C(C(S 2(=O)=O)(F)F)O; c1cc2c(c(c1Oc3cc(cc(c3)F )C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O; O[CH ]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)[S]( =O)(=O)C1(F)F; O[C@@H]1c2c(ccc(Oc3cc(F)c c(c3)C#N)c2C(F)F)[S](=O)(=O)C1(F)F; N#Cc 1cc(cc(c1)F)Oc3ccc2S(=O)(=O)C(F)(F)C(c2c 3C(F)F)O |
3-{[(3R)-4-(difluoromethyl)-2,2-difluoro-3-hydroxy-1,1-dioxo-2,3-dihydro-1H-1-benzothiophen-5-yl]oxy}-5-fluorobenzonitrile |
| 21003 | FOK CHEMBL52606 DB02587 ZINC000003977779 |
26 | C22 H34 O7 | InChI=1S/C22H34O7/c1-8-19 (5)11-14(25)22(27)20(6)13 (24)9-10-18(3,4)16(20)15( 26)17(28-12(2)23)21(22,7) 29-19/h8,13,15-17,24,26-2 7H,1,9-11H2,2-7H3/t13-,15 -,16-,17-,19-,20-,21+,22- /m0/s1; OHCQJHSOBUTRHG-KGGHGJDLSA-N |
O=C2CC(OC3(C(OC(=O)C)C(O)C1C(CCC(O)C1(C) C23O)(C)C)C)(\C=C)C; CC(=O)OC1C(C2C(CCC( C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O; CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@ @]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C) O)C)O)(C)C)O; CC(=O)O[CH]1[CH](O)[CH]2C( C)(C)CC[CH](O)[C]2(C)[C]3(O)C(=O)C[C](C) (O[C]13C)C=C; CC(=O)O[C@H]1[C@@H](O)[C@H ]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O )C[C@@](C)(O[C@]13C)C=C |
FORSKOLIN |
| 21004 | FOL CHEMBL1622 DB00158 ZINC000008577218 |
13 | C19 H19 N7 O6 | InChI=1S/C19H19N7O6/c20-1 9-25-15-14(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/h1-4,8,1 2,21H,5-7H2,(H,24,29)(H,2 7,28)(H,31,32)(H3,20,22,2 5,26,30)/t12-/m0/s1; OVBPIULPVIDEAO-LBPRGKRZSA-N |
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 |
| 21005 | FOM CHEMBL203125 DB02948 ZINC000012502867 |
30 | C4 H10 N O5 P | InChI=1S/C4H10NO5P/c6-4-5 (7)2-1-3-11(8,9)10/h4,7H, 1-3H2,(H2,8,9,10); GJXWDTUCERCKIX-UHFFFAOYSA-N |
O=P(O)(O)CCCN(O)C=O; C(CN(C=O)O)CP(=O)(O )O; ON(CCC[P](O)(O)=O)C=O |
3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID; FOSMIDOMYCIN |
| 21006 | FON CHEMBL1232801 DB03256 ZINC000009212428 |
49 | C20 H23 N7 O7 | InChI=1S/C20H23N7O7/c21-2 0-25-16-15(18(32)26-20)27 (9-28)12(8-23-16)7-22-11- 3-1-10(2-4-11)17(31)24-13 (19(33)34)5-6-14(29)30/h1 -4,9,12-13,22H,5-8H2,(H,2 4,31)(H,29,30)(H,33,34)(H 4,21,23,25,26,32)/t12-,13 +/m1/s1; VVIAGPKUTFNRDU-OLZOCXBDSA-N |
NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N [CH](CCC(O)=O)C(O)=O)N2C=O)N1; NC1=NC(=O )C2=C(NC[C@@H](CNc3ccc(cc3)C(=O)N[C@@H]( CCC(O)=O)C(O)=O)N2C=O)N1; O=C(O)C(NC(=O) c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O )CCC(=O)O; c1cc(ccc1C(=O)N[C@@H](CCC(=O) O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C( N3)N; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N CC2CNC3=C(N2C=O)C(=O)N=C(N3)N |
N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid; [6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE; 6R-FOLINIC ACID |
| 21007 | FOO | 1 | C11 H13 N2 O7 P | InChI=1S/C11H13N2O7P/c1-6 -10(14)8(2-3-9(12)11(15)1 6)7(4-13-6)5-20-21(17,18) 19/h2-4,12,14H,5H2,1H3,(H ,15,16)(H2,17,18,19)/b3-2 +,12-9-; RFCLOBQLGFQJHL-LDEIZCIFSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=CC(=N)C(O)=O)c1 O; Cc1ncc(CO[P](O)(O)=O)c(/C=C/C(=N)C(O) =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=N )C(=O)O)O; O=C(O)C(=[N@H])\C=C\c1c(cnc(c 1O)C)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O )O)\C=C\C(=N)C(=O)O)O |
(3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID |
| 21008 | FOP | 0 | C3 H10 N O | InChI=1S/C3H9NO/c1-3(5)2- 4/h3,5H,2,4H2,1H3/p+1/t3- /m1/s1; HXKKHQJGJAFBHI-GSVOUGTGSA-O |
OC(C)C[NH3+]; CC(C[NH3+])O; C[C@H](C[NH3 +])O; C[C@@H](O)C[NH3+]; C[CH](O)C[NH3+] |
2-HYDROXY-PROPYL-AMMONIUM; F-LOOP OF VITAMIN B12 |
| 21009 | FOQ ZINC000095584105 |
2 | C10 H15 N2 O5 P | InChI=1S/C10H15N2O5P/c1-8 (13)12(14)7-4-10(18(15,16 )17)9-2-5-11-6-3-9/h2-3,5 -6,10,14H,4,7H2,1H3,(H2,1 5,16,17)/t10-/m0/s1; AMWIPWYKSYZXGB-JTQLQIEISA-N |
CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O; CC(=O) N(CC[C@@H](c1ccncc1)P(=O)(O)O)O; CC(=O)N (O)CC[CH](c1ccncc1)[P](O)(O)=O; CC(=O)N( O)CC[C@@H](c1ccncc1)[P](O)(O)=O; O=C(N(O )CCC(c1ccncc1)P(=O)(O)O)C |
[(1S)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid |
| 21010 | FOR CHEMBL1255 DB03843 |
0 | C H2 O | InChI=1S/CH2O/c1-2/h1H2; WSFSSNUMVMOOMR-UHFFFAOYSA-N |
O=C; C=O | FORMYL GROUP |
| 21011 | FOS CHEMBL1232804 DB02642 |
2 | C9 H12 N O5 P | InChI=1S/C9H12NO5P/c11-9( 10-7-16(12,13)14)15-6-8-4 -2-1-3-5-8/h1-5H,6-7H2,(H ,10,11)(H2,12,13,14); WUNKRZNFNIYEPN-UHFFFAOYSA-N |
O[P](O)(=O)CNC(=O)OCc1ccccc1; c1ccc(cc1) COC(=O)NCP(=O)(O)O; O=P(O)(O)CNC(=O)OCc1 ccccc1 |
[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE |
| 21012 | FOT CHEMBL1232805 ZINC000001663959 |
18 | C5 H3 F N2 O4 | InChI=1S/C5H3FN2O4/c6-1-2 (4(10)11)7-5(12)8-3(1)9/h (H,10,11)(H2,7,8,9,12); SEHFUALWMUWDKS-UHFFFAOYSA-N |
C1(=C(NC(=O)NC1=O)C(=O)O)F; O=C(O)C1=C(F )C(=O)NC(=O)N1; OC(=O)C1=C(F)C(=O)NC(=O) N1 |
5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID; 5-FLUOROOROTIC ACID |
| 21013 | FOU ZINC000095921359 |
2 | C4 H7 F N2 O3 | InChI=1S/C4H7FN2O3/c5-1-2 (8)6-4(10)7-3(1)9/h1-3,8- 9H,(H2,6,7,10)/t2-,3-/m1/ s1; DBCBOJHOXAJKHT-PWNYCUMCSA-N |
O[C@H]1NC(=O)N[C@H](O)C1F; C1(C(NC(=O)NC 1O)O)F; O[CH]1NC(=O)N[CH](O)C1F; [C@H]1( C([C@H](NC(=O)N1)O)F)O; FC1C(O)NC(=O)NC1 O |
(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE; (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE |
| 21014 | FOV CHEMBL4168682 |
1 | C13 H7 Cl F4 N2 O4 S | InChI=1S/C13H7ClF4N2O4S/c 14-7-3-8(15)5-9(4-7)19-11 -2-1-10(6-12(11)20(21)22) 25(23,24)13(16,17)18/h1-6 ,19H; QONODMQQXMILPX-UHFFFAOYSA-N |
O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(C l)cc(c2)F)=O; Fc1cc(Cl)cc(Nc2ccc(cc2[N]( =O)=O)[S](=O)(=O)C(F)(F)F)c1; c1cc(c(cc1 S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl )F |
N-(3-chloro-5-fluorophenyl)-2-nitro-4-[(trifluoromethyl)sulfonyl]aniline |
| 21015 | FOW CHEMBL4449500 |
4 | C25 H26 N6 O | InChI=1S/C25H26N6O/c32-24 -20-6-11-26-23(22(20)27-1 7-28-24)31-16-18(15-29-31 )7-12-30-13-9-25(10-14-30 )8-5-19-3-1-2-4-21(19)25/ h1-4,6,11,15-17H,5,7-10,1 2-14H2,(H,27,28,32); AVFIHINZEZRGBL-UHFFFAOYSA-N |
c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c (ccn5)C(=O)NC=N6; O=C1NC=Nc2c1ccnc2n3cc( CCN4CCC5(CC4)CCc6ccccc56)cn3 |
8-[4-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21016 | FOX ZINC000058633690 |
0 | C11 H18 N5 O7 P | InChI=1S/C11H18N5O7P/c12- 11-15-9(8(13-4-17)10(19)1 6-11)14-6-1-5(7(18)2-6)3- 23-24(20,21)22/h4-7,18H,1 -3H2,(H,13,17)(H2,20,21,2 2)(H4,12,14,15,16,19)/t5- ,6-,7+/m1/s1; UQRLPMGPCBTFTR-QYNIQEEDSA-N |
NC1=NC(=O)C(=C(N[C@H]2C[C@H](O)[C@@H](CO [P](O)(O)=O)C2)N1)NC=O; C1[C@H](C[C@@H]( [C@H]1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N) NC=O; O=C1N=C(NC(=C1NC=O)NC2CC(COP(=O)(O )O)C(O)C2)N; NC1=NC(=O)C(=C(N[CH]2C[CH]( O)[CH](CO[P](O)(O)=O)C2)N1)NC=O; C1C(CC( C1COP(=O)(O)O)O)NC2=C(C(=O)N=C(N2)N)NC=O |
((1R,2S,4R)-4-{[2-AMINO-5-(FORMYLAMINO)-6-OXO-3,6-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-HYDROXYCYCLOPENTYL)METHYL 5'-PHOSPHATE |
| 21017 | FOY CHEMBL4251258 |
1 | C17 H16 N2 O2 | InChI=1S/C17H16N2O2/c1-12 -17(13(2)21-18-12)15-8-9- 16(20)19(11-15)10-14-6-4- 3-5-7-14/h3-9,11H,10H2,1- 2H3; CIJOVPIWGFQZFF-UHFFFAOYSA-N |
Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3; Cc1onc(C)c1C2=CN(Cc3ccccc3)C(=O)C=C2; O= C2N(Cc1ccccc1)C=C(C=C2)c3c(C)onc3C |
1-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2(1H)-one |
| 21018 | FOZ | 0 | C20 H23 N7 O7 | InChI=1S/C20H23N7O7/c21-2 0-25-16-15(18(32)26-20)27 (9-28)12(8-23-16)7-22-11- 3-1-10(2-4-11)17(31)24-13 (19(33)34)5-6-14(29)30/h1 -4,9,12-13,22H,5-8H2,(H,2 4,31)(H,29,30)(H,33,34)(H 4,21,23,25,26,32)/t12-,13 -/m0/s1; VVIAGPKUTFNRDU-STQMWFEESA-N |
NC1=NC(=O)C2=C(NC[CH](CNc3ccc(cc3)C(=O)N [CH](CCC(O)=O)C(O)=O)N2C=O)N1; NC1=NC(=O )C2=C(NC[C@H](CNc3ccc(cc3)C(=O)N[C@@H](C CC(O)=O)C(O)=O)N2C=O)N1; O=C(O)C(NC(=O)c 1ccc(cc1)NCC2N(C=O)C=3C(=O)N=C(NC=3NC2)N )CCC(=O)O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(= O)O)NCC2CNC3=C(N2C=O)C(=O)N=C(N3)N; c1cc (ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H ]2CNC3=C(N2C=O)C(=O)N=C(N3)N |
N-[4-({[(6S)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid |
| 21019 | FP0 ZINC000048643520 |
1 | C17 H24 O5 | InChI=1S/C17H24O5/c1-10-4 -5-16(8-18)13(6-10)22-14- 12(21-11(2)19)7-15(16,3)1 7(14)9-20-17/h6,12-14,18H ,4-5,7-9H2,1-3H3/t12-,13- ,14-,15-,16-,17+/m1/s1; DFPPNUOWRKIOKO-KWRZAIAESA-N |
CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H] ([C@@]34CO4)O2)OC(=O)C)C)CO; CC1=CC2C(CC 1)(C3(CC(C(C34CO4)O2)OC(=O)C)C)CO; O=C(O C3CC2(C4(C(OC3C21OC1)C=C(C)CC4)CO)C)C; C C(=O)O[CH]1C[C]2(C)[C]3(CO)CCC(=C[CH]3O[ CH]1[C]24CO4)C; CC(=O)O[C@@H]1C[C@]2(C)[ C@@]3(CO)CCC(=C[C@H]3O[C@H]1[C@@]24CO4)C |
(3alpha)-15-hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate; 15-decalonectrin |
| 21020 | FP1 ZINC000103541787 |
6 | C7 H10 N2 O | InChI=1S/C7H10N2O/c1-9-5- 3-2-4-7(9)6-8-10/h2-6,8,1 0H,1H3/b7-6-; YDWKOUCMHAMECR-SREVYHEPSA-N |
CN1C=CC=CC1=CNO; CN1C=CC=C/C1=C/NO; CN\1 C=CC=C/C1=C/NO; ON\C=C1\C=CC=CN1C |
N-hydroxy-1-(1-methylpyridin-2(1H)-ylidene)methanamine |
| 21021 | FP2 CHEMBL224144 ZINC000000164476 |
1 | C6 H5 F O | InChI=1S/C6H5FO/c7-5-3-1- 2-4-6(5)8/h1-4,8H; HFHFGHLXUCOHLN-UHFFFAOYSA-N |
c1ccc(c(c1)O)F; Oc1ccccc1F; Fc1ccccc1O | 2-fluorophenol |
| 21022 | FP3 CHEMBL1614963 ZINC000064746574 |
2 | C17 H11 Cl N4 O2 | InChI=1S/C17H11ClN4O2/c18 -12-3-2-10(8-13(12)23)22- 15-11-4-7-19-9-14(11)24-1 6(15)17-20-5-1-6-21-17/h1 -9,22-23H; XNYZWJDKGDUFBJ-UHFFFAOYSA-N |
c1cnc(nc1)c2c(c3ccncc3o2)Nc4ccc(c(c4)O)C l; Clc1ccc(cc1O)Nc2c4ccncc4oc2c3ncccn3; Oc1cc(Nc2c(oc3cnccc23)c4ncccn4)ccc1Cl |
2-chloro-5-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}phenol |
| 21023 | FP4 ZINC000064746616 |
2 | C21 H18 N6 O2 | InChI=1S/C21H18N6O2/c28-1 1-2-6-16-18-14(4-1-5-15(1 8)26-27-16)25-19-13-7-10- 22-12-17(13)29-20(19)21-2 3-8-3-9-24-21/h1,3-5,7-10 ,12,25,28H,2,6,11H2,(H,26 ,27); SYIQWALXOCKNEW-UHFFFAOYSA-N |
c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[n H]2)CCCO; OCCCc1n[nH]c2cccc(Nc3c(oc4cncc c34)c5ncccn5)c12; n5ccc1c(oc(c1Nc3cccc2n nc(c23)CCCO)c4ncccn4)c5 |
3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol |
| 21024 | FP5 CHEMBL1275918 ZINC000169879812 |
6 | C9 H12 B N O3 | InChI=1S/C9H12BNO3/c12-9( 11-7-10(13)14)6-8-4-2-1-3 -5-8/h1-5,13-14H,6-7H2,(H ,11,12); WPZJZIUTEZTIJI-UHFFFAOYSA-N |
B(CNC(=O)Cc1ccccc1)(O)O; OB(O)CNC(=O)Cc1 ccccc1 |
PHENYLACETAMIDOMETHYL BORONIC ACID |
| 21025 | FP6 CHEMBL4745604 ZINC000001675320 |
2 | C5 H9 N O | InChI=1S/C5H9NO/c7-5-6-3- 1-2-4-6/h5H,1-4H2; AGRIQBHIKABLPJ-UHFFFAOYSA-N |
C1CCN(C1)C=O; O=CN1CCCC1 | pyrrolidine-1-carbaldehyde |
| 21026 | FP7 | 1 | C19 H20 N2 O3 | InChI=1S/C19H20N2O3/c1-12 -19(14(3)24-20-12)17-8-9- 18(23)21(11-17)10-15-4-6- 16(7-5-15)13(2)22/h4-9,11 ,13,22H,10H2,1-3H3/t13-/m 1/s1; GYFSAKAXGZYFTD-CYBMUJFWSA-N |
Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccc(cc3) [C@@H](C)O; C[CH](O)c1ccc(CN2C=C(C=CC2=O )c3c(C)onc3C)cc1; C[C@@H](O)c1ccc(CN2C=C (C=CC2=O)c3c(C)onc3C)cc1; Cc1c(c(on1)C)C 2=CN(C(=O)C=C2)Cc3ccc(cc3)C(C)O; c3cc(CN 2C=C(c1c(C)noc1C)C=CC2=O)ccc3C(C)O |
5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-({4-[(1R)-1-hydroxyethyl]phenyl}methyl)pyridin-2(1H)-one |
| 21027 | FP8 | 2 | C28 H40 N4 O9 S | InChI=1S/C28H40N4O9S/c1-1 7(2)10-21(25(35)30-22(26( 36)42(38,39)40)12-19-8-9- 29-24(19)34)31-27(37)41-2 0-13-28(14-20)15-32(16-28 )23(33)11-18-6-4-3-5-7-18 /h3-7,17,19-22,26,36H,8-1 6H2,1-2H3,(H,29,34)(H,30, 35)(H,31,37)(H,38,39,40)/ t19-,21-,22-,26+/m0/s1; BUKWXURASAKBCJ-QOAPGFADSA-N |
CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)C(=O)Cc 3ccccc3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O) [S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC1CC2(C 1)CN(C2)C(=O)Cc3ccccc3)C(=O)N[C@@H](C[C@ @H]4CCNC4=O)[C@H](O)[S](O)(=O)=O; O=C(Cc 1ccccc1)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(=O )NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C)C C(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(= O)OC2CC3(C2)CN(C3)C(=O)Cc4ccccc4; CC(C)C [C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H ](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(= O)Cc4ccccc4 |
(1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
| 21028 | FP9 CHEMBL1232810 ZINC000004899902 |
0 | C5 H8 F N O2 | InChI=1S/C5H8FNO2/c6-3-1- 4(5(8)9)7-2-3/h3-4,7H,1-2 H2,(H,8,9)/t3-,4+/m1/s1; ZIWHMENIDGOELV-DMTCNVIQSA-N |
C1C(CNC1C(=O)O)F; O=C(O)C1NCC(F)C1; OC(= O)[CH]1C[CH](F)CN1; OC(=O)[C@@H]1C[C@@H] (F)CN1; C1[C@H](CN[C@@H]1C(=O)O)F |
(4R)-4-fluoro-L-proline |
| 21029 | FPA ZINC000004290612 |
0 | C2 H Br F2 O2 | InChI=1S/C2HBrF2O2/c3-2(4 ,5)1(6)7/h(H,6,7); LZCMQBRCQWOSHZ-UHFFFAOYSA-N |
OC(=O)C(F)(F)Br; C(F)(F)(C(=O)O)Br; C(=O )(C(F)(F)Br)O |
bromo(difluoro)acetic acid |
| 21030 | FPB CHEMBL425584 DB07779 ZINC000014948268 |
2 | C22 H26 F N3 O2 | InChI=1S/C22H26FN3O2/c23- 20-11-5-4-9-17(20)13-18(2 4)14-21(27)26-12-6-10-19( 26)15-25-22(28)16-7-2-1-3 -8-16/h1-5,7-9,11,18-19H, 6,10,12-15,24H2,(H,25,28) /t18-,19+/m1/s1; ANQHSFFUNMTTRS-MOPGFXCFSA-N |
c1ccc(cc1)C(=O)NC[C@@H]2CCCN2C(=O)C[C@@H ](Cc3ccccc3F)N; c1ccc(cc1)C(=O)NCC2CCCN2 C(=O)CC(Cc3ccccc3F)N; N[C@@H](CC(=O)N1CC C[C@H]1CNC(=O)c2ccccc2)Cc3ccccc3F; N[CH] (CC(=O)N1CCC[CH]1CNC(=O)c2ccccc2)Cc3cccc c3F; O=C(N2C(CNC(=O)c1ccccc1)CCC2)CC(N)C c3ccccc3F |
N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE |
| 21031 | FPC | 0 | C6 H15 O9 P | InChI=1S/C6H15O9P/c7-1-3( 8)5(10)6(11)4(9)2-15-16(1 2,13)14/h3-11H,1-2H2,(H2, 12,13,14)/t3-,4-,5+,6-/m1 /s1; GACTWZZMVMUKNG-ARQDHWQXSA-N |
OC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P] (O)(O)=O; OC[CH](O)[CH](O)[CH](O)[CH](O) CO[P](O)(O)=O; C(C(C(C(C(COP(=O)(O)O)O)O )O)O)O; C([C@H]([C@@H]([C@@H]([C@@H](COP (=O)(O)O)O)O)O)O)O; O=P(OCC(O)C(O)C(O)C( O)CO)(O)O |
D-FRUCTOSE-6-PHOSPHATE (OPEN FORM) |
| 21032 | FPD ZINC000014979166 |
10 | C19 H24 N2 O8 S | InChI=1S/C19H24N2O8S/c1-1 7(27,10-23)14(24)19-16(26 )20-18(28,15(25)21-19)12( 5-6-29-19)9-30-13-4-2-3-1 1(7-13)8-22/h2-4,7-8,12,1 4,23-24,27-28H,5-6,9-10H2 ,1H3,(H,20,26)(H,21,25)/t 12-,14-,17-,18+,19-/m0/s1; LVFCJUVYCSPOOY-KRJMWWHISA-N |
C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@ H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O; C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O )(NC1=O)[C@@H](CCO2)CSc3cccc(C=O)c3; CC( CO)(C(C12C(=O)NC(C(CCO1)CSc3cccc(c3)C=O) (C(=O)N2)O)O)O; C[C](O)(CO)[CH](O)[C]12N C(=O)[C](O)(NC1=O)[CH](CCO2)CSc3cccc(C=O )c3; O=Cc3cc(SCC1C2(O)NC(=O)C(OCC1)(NC2= O)C(O)C(O)(C)CO)ccc3 |
5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN |
| 21033 | FPE DB03113 ZINC000012503067 |
2 | C3 H6 F O6 P | InChI=1S/C3H6FO6P/c4-1-2( 3(5)6)10-11(7,8)9/h2H,1H2 ,(H,5,6)(H2,7,8,9)/t2-/m0 /s1; BNOCDEBUFVJMQI-REOHCLBHSA-N |
O=P(O)(O)OC(C(=O)O)CF; C(C(C(=O)O)OP(=O) (O)O)F; OC(=O)[CH](CF)O[P](O)(O)=O; C([C @@H](C(=O)O)OP(=O)(O)O)F; OC(=O)[C@H](CF )O[P](O)(O)=O |
3-FLUORO-2-(PHOSPHONOOXY)PROPANOIC ACID |
| 21034 | FPF ZINC000058631599 |
14 | C15 H27 F O7 P2 | InChI=1S/C15H27FO7P2/c1-1 2(2)7-5-8-13(3)9-6-10-14( 4)15(16)11-22-25(20,21)23 -24(17,18)19/h7,9H,5-6,8, 10-11H2,1-4H3,(H,20,21)(H 2,17,18,19)/b13-9+,15-14-; DXHJZCKJWKWTCH-WISUYLHISA-N |
CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[ P](O)(O)=O; CC(=CCCC(=CCCC(=C(COP(=O)(O) OP(=O)(O)O)F)C)C)C; F\C(=C(\C)CC\C=C(/C) CC\C=C(/C)C)COP(=O)(OP(=O)(O)O)O; CC(=CC C/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O )\F)/C)/C)C; CC(C)=CCCC(/C)=C/CCC(/C)=C( F)/CO[P@](O)(=O)O[P](O)(O)=O |
(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate |
| 21035 | FPG ZINC000034855091 |
2 | C10 H23 F O7 P2 | InChI=1S/C10H23FO7P2/c1-8 (2)6-5-7-10(4,9(3)11)17-2 0(15,16)18-19(12,13)14/h8 -9H,5-7H2,1-4H3,(H,15,16) (H2,12,13,14)/t9-,10+/m1/ s1; JUOIVVAWJCVSPX-ZJUUUORDSA-N |
CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(= O)(O)O; CC(C)CCC[C](C)(O[P](O)(=O)O[P](O )(O)=O)[CH](C)F; CC(C)CCCC(C)(C(C)F)OP(= O)(O)OP(=O)(O)O; CC(C)CCC[C@](C)(O[P@](O )(=O)O[P](O)(O)=O)[C@@H](C)F; O=P(OP(=O) (OC(C(F)C)(C)CCCC(C)C)O)(O)O |
(1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE |
| 21036 | FPH DB02195 ZINC000012501714 |
1 | C18 H12 F N3 O | InChI=1S/C18H12FN3O/c19-1 4-5-3-12(4-6-14)16-17-15( 2-1-9-21-17)22(23)18(16)1 3-7-10-20-11-8-13/h1-11,2 3H; ZSMYZLKEZDYVPI-UHFFFAOYSA-N |
On1c2cccnc2c(c3ccc(F)cc3)c1c4ccncc4; c1c c2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1; Fc 4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4 |
3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL; 3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE |
| 21037 | FPI CHEMBL1232817 DB04113 ZINC000000388699 |
4 | C6 H11 N O | InChI=1S/C6H11NO/c8-6-7-4 -2-1-3-5-7/h6H,1-5H2; FEWLNYSYJNLUOO-UHFFFAOYSA-N |
C1CCN(CC1)C=O; O=CN1CCCCC1 | N-FORMYLPIPERIDINE |
| 21038 | FPJ | 1 | C13 H19 N6 O7 P | InChI=1S/C13H19N6O7P/c1-2 -7(20)18-27(23,24)25-3-6- 9(21)10(22)13(26-6)19-5-1 7-8-11(14)15-4-16-12(8)19 /h4-6,9-10,13,21-22H,2-3H 2,1H3,(H2,14,15,16)(H2,18 ,20,23,24)/t6-,9-,10-,13- /m1/s1; YXHIVTXRAWARSD-ZRFIDHNTSA-N |
CCC(=O)NP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn c3N)O)O; CCC(=O)N[P](O)(=O)OC[C@H]1O[C@H ]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CCC (=O)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H] (O1)n2cnc3c2ncnc3N)O)O; CCC(=O)N[P](O)(= O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n cnc23; c2n(c1c(c(ncn1)N)n2)C3C(C(O)C(COP (NC(=O)CC)(O)=O)O3)O |
5'-O-[(R)-hydroxy(propanoylamino)phosphoryl]adenosine |
| 21039 | FPK ZINC000002033577 |
14 | C6 H9 N O3 | InChI=1S/C6H9NO3/c8-4-7-3 -1-2-5(7)6(9)10/h4-5H,1-3 H2,(H,9,10)/t5-/m0/s1; DHDRGOURKDLAOT-YFKPBYRVSA-N |
C1CC(N(C1)C=O)C(=O)O; OC(=O)[CH]1CCCN1C= O; OC(=O)[C@@H]1CCCN1C=O; O=CN1C(C(=O)O) CCC1; C1C[C@H](N(C1)C=O)C(=O)O |
1-formyl-L-proline |
| 21040 | FPL CHEMBL149009 |
8 | C12 H9 F O2 | InChI=1S/C12H9FO2/c13-9-6 -7-12(11(14)8-9)15-10-4-2 -1-3-5-10/h1-8,14H; DEMPPYSGPXLMNG-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccc(cc2O)F; Fc2ccc(Oc1ccccc 1)c(O)c2; Oc1cc(F)ccc1Oc2ccccc2 |
5-fluoro-2-phenoxyphenol |
| 21041 | FPM CHEMBL556262 DB12190 ZINC000003959242 |
3 | C12 H15 N O5 S | InChI=1S/C12H15NO5S/c1-5( 14)7-10(15)13-8(12(16)17) 9(19-11(7)13)6-3-2-4-18-6 /h5-7,11,14H,2-4H2,1H3,(H ,16,17)/t5-,6-,7+,11-/m1/ s1; HGGAKXAHAYOLDJ-FHZUQPTBSA-N |
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H ]3CCCO3)C(=O)O)O; C[C@@H](O)[C@@H]1[C@H] 2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3; CC(C1C 2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O; C[CH]( O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCC O3; O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O |
(5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid; Faropenem |
| 21042 | FPN CHEMBL56226 ZINC000000164463 |
4 | C6 H5 F O | InChI=1S/C6H5FO/c7-5-1-3- 6(8)4-2-5/h1-4,8H; RHMPLDJJXGPMEX-UHFFFAOYSA-N |
Oc1ccc(F)cc1; Fc1ccc(O)cc1; c1cc(ccc1O)F | 4-FLUOROPHENOL |
| 21043 | FPO DB02348 |
1 | F O3 P | InChI=1S/FH2O3P/c1-5(2,3) 4/h(H2,2,3,4)/p-2; DWYMPOCYEZONEA-UHFFFAOYSA-L |
[O-][P]([O-])(F)=O; [O-]P(=O)([O-])F; [O -]P([O-])(F)=O |
FLUORO-PHOSPHITE ION |
| 21044 | FPP CHEMBL69330 DB07780 ZINC000012494625 |
101 | C15 H28 O7 P2 | InChI=1S/C15H28O7P2/c1-13 (2)7-5-8-14(3)9-6-10-15(4 )11-12-21-24(19,20)22-23( 16,17)18/h7,9,11H,5-6,8,1 0,12H2,1-4H3,(H,19,20)(H2 ,16,17,18)/b14-9+,15-11+; VWFJDQUYCIWHTN-YFVJMOTDSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P]( O)(O)=O; O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C )C)C)(OP(=O)(O)O)O; CC(=CCC/C(=C/CC/C(=C /CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C; CC(C) =CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P]( O)(O)=O; CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(= O)(O)O)C)C)C |
FARNESYL DIPHOSPHATE |
| 21045 | FPQ ZINC000098208897 |
8 | C18 H31 O7 P | InChI=1S/C18H31O7P/c1-14( 2)7-5-8-15(3)9-6-10-16(4) 11-12-24-17(18(19)20)13-2 5-26(21,22)23/h7,9,11,17H ,5-6,8,10,12-13H2,1-4H3,( H,19,20)(H2,21,22,23)/b15 -9+,16-11-/t17-/m1/s1; SLQQIKXGDCLCGX-XLGHFPRDSA-N |
CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O )C(=O)O)/C)/C)C; O=C(O)C(OC/C=C(/C)CC\C= C(/C)CC\C=C(/C)C)COP(=O)(O)O; CC(C)=CCCC (C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O ; CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O) O)C)C)C; CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C @H](CO[P](O)(O)=O)C(O)=O |
(2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid |
| 21046 | FPR ZINC000098208898 |
0 | C13 H17 N O3 | InChI=1S/C13H17NO3/c14-11 (9-13(16)17)12(15)8-4-7-1 0-5-2-1-3-6-10/h1-3,5-6,1 1H,4,7-9,14H2,(H,16,17)/t 11-/m0/s1; QYEQYTJKGDCZPC-NSHDSACASA-N |
c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N; c1ccc (cc1)CCCC(=O)C(CC(=O)O)N; N[CH](CC(O)=O) C(=O)CCCc1ccccc1; N[C@@H](CC(O)=O)C(=O)C CCc1ccccc1; O=C(O)CC(N)C(=O)CCCc1ccccc1 |
(3S)-3-amino-4-oxo-7-phenylheptanoic acid |
| 21047 | FPS DB04695 ZINC000012504468 |
70 | C15 H28 O6 P2 S | InChI=1S/C15H28O6P2S/c1-1 3(2)7-5-8-14(3)9-6-10-15( 4)11-12-24-23(19,20)21-22 (16,17)18/h7,9,11H,5-6,8, 10,12H2,1-4H3,(H,19,20)(H 2,16,17,18)/b14-9+,15-11+; MYMLCRQRXFRQGP-YFVJMOTDSA-N |
O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C =C(/C)C)C; CC(=CCC/C(=C/CC/C(=C/CS[P@@]( =O)(O)OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(C)= CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O; CC(C) =CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O )(O)=O; CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O )(O)O)C)C)C |
S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE; FARNESYL THIOPYROPHOSPHATE |
| 21048 | FPT DB07781 ZINC000003873317 |
1 | C16 H16 F N5 O S | InChI=1S/C16H16FN5OS/c1-2 -23-13-6-8-19-12(15(13)17 )5-7-20-16(24)22-14-4-3-1 1(9-18)10-21-14/h3-4,6,8, 10H,2,5,7H2,1H3,(H2,20,21 ,22,24); PQSCCWFMTRVFDA-UHFFFAOYSA-N |
CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N; S= C(Nc1ncc(C#N)cc1)NCCc2nccc(OCC)c2F; CCOc 1ccnc(CCNC(=S)Nc2ccc(cn2)C#N)c1F |
N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA |
| 21049 | FPU ZINC000089469759 |
1 | C26 H24 N4 O4 | InChI=1S/C26H24N4O4/c1-32 -23-13-19-20(14-24(23)33- 2)27-11-10-22(19)34-17-8- 9-25(28-15-17)30-26(31)29 -21-12-18(21)16-6-4-3-5-7 -16/h3-11,13-15,18,21H,12 H2,1-2H3,(H2,28,29,30,31) /t18-,21+/m0/s1; MRWNNBQFJVSSHG-GHTZIAJQSA-N |
COc1cc2nccc(Oc3ccc(NC(=O)N[CH]4C[CH]4c5c cccc5)nc3)c2cc1OC; COc1cc2c(ccnc2cc1OC)O c3ccc(nc3)NC(=O)NC4CC4c5ccccc5; O=C(Nc3n cc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4c cccc4; COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC (=O)N[C@@H]4C[C@H]4c5ccccc5; COc1cc2nccc (Oc3ccc(NC(=O)N[C@@H]4C[C@H]4c5ccccc5)nc 3)c2cc1OC |
1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea |
| 21050 | FPW CHEMBL3125861 ZINC000087613159 |
1 | C29 H24 N4 O5 | InChI=1S/C29H24N4O5/c1-36 -25-15-22-23(16-26(25)37- 2)30-13-12-24(22)38-20-10 -11-27(31-17-20)32-28(34) 21-9-6-14-33(29(21)35)18- 19-7-4-3-5-8-19/h3-17H,18 H2,1-2H3,(H,31,32,34); MIRAJAFOEINWJO-UHFFFAOYSA-N |
COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4= CC=CN(C4=O)Cc5ccccc5; COc1cc2nccc(Oc3ccc (NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1 OC; O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(O c3c4cc(OC)c(OC)cc4ncc3)cc5 |
1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide |
| 21051 | FPX CHEMBL4065618 ZINC000089469766 |
1 | C29 H22 F3 N5 O2 | InChI=1S/C29H22F3N5O2/c1- 17-11-12-22(34-26(38)18-7 -6-8-20(13-18)29(30,31)32 )15-23(17)24-14-19-16-33- 28(35-21-9-4-3-5-10-21)36 -25(19)37(2)27(24)39/h3-1 6H,1-2H3,(H,34,38)(H,33,3 5,36); IMLLFFIWQIAPHC-UHFFFAOYSA-N |
CN1C(=O)C(=Cc2cnc(Nc3ccccc3)nc12)c4cc(NC (=O)c5cccc(c5)C(F)(F)F)ccc4C; FC(F)(F)c1 cccc(c1)C(=O)Nc5cc(C4=Cc2c(nc(nc2)Nc3ccc cc3)N(C4=O)C)c(cc5)C; Cc1ccc(cc1C2=Cc3cn c(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5) C(F)(F)F |
N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide |
| 21052 | FPY DB04135 ZINC000005834564 |
3 | C4 H5 F N2 O2 | InChI=1S/C4H5FN2O2/c5-2-1 -6-4(9)7-3(2)8/h1,3,8H,(H 2,6,7,9)/t3-/m0/s1; PRVUBDAKZJCBTI-VKHMYHEASA-N |
C1=C([C@@H](NC(=O)N1)O)F; C1=C(C(NC(=O)N 1)O)F; O[C@@H]1NC(=O)NC=C1F; O[CH]1NC(=O )NC=C1F; FC1=CNC(=O)NC1O |
(4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE; 5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE |
| 21053 | FPZ CHEMBL1448331 ZINC000008585891 |
1 | C18 H15 P | InChI=1S/C18H15P/c1-4-10- 16(11-5-1)19(17-12-6-2-7- 13-17)18-14-8-3-9-15-18/h 1-15H; RIOQSEWOXXDEQQ-UHFFFAOYSA-N |
c1ccc(cc1)P(c2ccccc2)c3ccccc3; c1cccc(c1 )P(c2ccccc2)c3ccccc3 |
triphenylphosphane |
| 21054 | FQ0 CHEMBL141076 ZINC000013479528 |
12 | C18 H32 O3 | InChI=1S/C18H32O3/c1-15(2 )7-5-8-16(3)9-6-10-17(4)1 1-12-21-18(13-19)14-20/h7 ,9,11,18-20H,5-6,8,10,12- 14H2,1-4H3/b16-9+,17-11+; CANVIAXUPVPMNA-BTMZFSHUSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO; CC(=CC C/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C; CC(C)= CCCC(/C)=C/CCC(/C)=C/COC(CO)CO; CC(=CCCC (=CCCC(=CCOC(CO)CO)C)C)C |
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol |
| 21055 | FQ1 | 2 | C29 H38 F2 N2 O8 S | InChI=1S/C29H38F2N2O8S/c1 -18(2)16-33(42(36,37)23-6 -4-22(38-3)5-7-23)17-26(3 4)25(14-19-12-20(30)15-21 (31)13-19)32-29(35)41-27- 9-11-40-28-24(27)8-10-39- 28/h4-7,12-13,15,18,24-28 ,34H,8-11,14,16-17H2,1-3H 3,(H,32,35)/t24-,25-,26+, 27-,28+/m0/s1; HRXJYCTXLRLZAD-AJIIGFCHSA-N |
CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC( =O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(= O)c4ccc(cc4)OC; CC(C)CN(CC(C(Cc1cc(cc(c1 )F)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4c cc(cc4)OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C )C)C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O )O[C@H]3CCO[C@H]4OCC[C@@H]34; c1(OC)ccc( cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)O C3CCOC4OCCC34)O)CC(C)C)=O; COc1ccc(cc1)[ S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cc(F) cc(F)c2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34 |
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
| 21056 | FQ3 | 5 | C11 H12 O3 | InChI=1S/C11H12O3/c1-11(2 )13-7-9-5-8(6-12)3-4-10(9 )14-11/h3-6H,7H2,1-2H3; KNGWEAQJZJKFLI-UHFFFAOYSA-N |
CC1(C)OCc2cc(C=O)ccc2O1; CC1(OCc2cc(ccc2 O1)C=O)C |
2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde; 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| 21057 | FQ4 | 2 | C29 H39 F N2 O8 S | InChI=1S/C29H39FN2O8S/c1- 19(2)17-32(41(35,36)23-10 -8-22(37-3)9-11-23)18-26( 33)25(16-20-4-6-21(30)7-5 -20)31-29(34)40-27-13-15- 39-28-24(27)12-14-38-28/h 4-11,19,24-28,33H,12-18H2 ,1-3H3,(H,31,34)/t24-,25- ,26+,27-,28+/m0/s1; NIQHANOAJHWKET-AJIIGFCHSA-N |
CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2CCOC3 C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC; CC(C)CN( C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2C CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4 )OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C @@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)O[C@H]3C CO[C@H]4OCC[C@@H]34; COc1ccc(cc1)[S](=O) (=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(F)cc2)N C(=O)O[CH]3CCO[CH]4OCC[CH]34; c1(OC)ccc( cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC( =O)OC3CCOC4C3CCO4)O)=O |
(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
| 21058 | FQ5 CHEMBL3774537 ZINC000653728054 |
6 | C23 H23 Cl N6 O | InChI=1S/C23H23ClN6O/c24- 19-3-1-2-18(12-19)17-6-10 -29(11-7-17)9-5-16-13-28- 30(14-16)22-21-20(4-8-25- 22)23(31)27-15-26-21/h1-4 ,8,12-15,17H,5-7,9-11H2,( H,26,27,31); LDSDVQOOEYCWQS-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c (ccn4)C(=O)NC=N5; Clc1cccc(c1)C2CCN(CC2) CCc3cnn(c3)c4nccc5C(=O)NC=Nc45 |
8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21059 | FQ6 | 1 | C9 H8 O3 | InChI=1S/C9H8O3/c10-4-7-1 -2-9-8(3-7)5-11-6-12-9/h1 -4H,5-6H2; GNQQVGXSVAZLGQ-UHFFFAOYSA-N |
c1cc2c(cc1C=O)COCO2; O=Cc1ccc2OCOCc2c1 | 4H-1,3-benzodioxine-6-carbaldehyde; 4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| 21060 | FQ7 CHEMBL22876 ZINC000012956293 |
3 | C13 H9 Cl2 N O2 | InChI=1S/C13H9Cl2NO2/c14- 8-5-9(15)7-10(6-8)16-12-4 -2-1-3-11(12)13(17)18/h1- 7,16H,(H,17,18); FNGSQOJHNAYHAT-UHFFFAOYSA-N |
c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2; OC( =O)c1ccccc1Nc2cc(Cl)cc(Cl)c2; c1ccc(c(c1 )C(=O)O)Nc2cc(cc(c2)Cl)Cl |
2-[(3,5-dichlorophenyl)amino]benzoic acid |
| 21061 | FQ8 | 36 | C15 H35 O22 P3 | InChI=1S/C15H35O22P3/c16- 1-7(17)13(23)9(19)3-34-39 (29,30)36-5-11(21)15(25)1 2(22)6-37-40(31,32)35-4-1 0(20)14(24)8(18)2-33-38(2 6,27)28/h7-25H,1-6H2,(H,2 9,30)(H,31,32)(H2,26,27,2 8)/t7-,8-,9+,10+,11+,12-, 13-,14-,15+/m0/s1; OFDIUZNQYOUSRP-VACZDDTMSA-N |
C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H] ([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@ H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; C(C( C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C( COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; OC[CH]( O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH ](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[ CH](O)CO[P](O)(O)=O; OC[C@H](O)[C@H](O)[ C@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[ C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O) [C@@H](O)CO[P](O)(O)=O |
|
| 21062 | FQ9 | 1 | C10 H10 O3 | InChI=1S/C10H10O3/c1-7-12 -6-9-4-8(5-11)2-3-10(9)13 -7/h2-5,7H,6H2,1H3/t7-/m0 /s1; OUSHWSCHEPRJRW-ZETCQYMHSA-N |
C[C@H]1OCc2cc(ccc2O1)C=O; CC1OCc2cc(ccc2 O1)C=O; C[CH]1OCc2cc(C=O)ccc2O1; C[C@H]1 OCc2cc(C=O)ccc2O1 |
(2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde; (2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde |
| 21063 | FQA | 0 | C13 H20 N2 O2 | InChI=1S/C13H20N2O2/c14-1 2(13(16)17)8-4-5-9-15-10- 11-6-2-1-3-7-11/h1-3,6-7, 12,15H,4-5,8-10,14H2,(H,1 6,17)/t12-/m0/s1; QHFWIZMMKPGTRI-LBPRGKRZSA-N |
c1ccc(cc1)CNCCCCC(C(=O)O)N; c1ccc(cc1)CN CCCC[C@@H](C(=O)O)N; NC(C(O)=O)CCCCNCc1c cccc1; N[C@@H](CCCCNCc1ccccc1)C(O)=O; N[ CH](CCCCNCc1ccccc1)C(O)=O |
N~6~-benzyl-L-lysine |
| 21064 | FQB CHEMBL4585876 |
4 | C27 H33 N7 O | InChI=1S/C27H33N7O/c1-32( 2)13-8-20-3-5-22(6-4-20)2 3-10-15-33(16-11-23)14-9- 21-17-31-34(18-21)26-25-2 4(7-12-28-26)27(35)30-19- 29-25/h3-7,12,17-19,23H,8 -11,13-16H2,1-2H3,(H,29,3 0,35); YSKANQRCYYKDSC-UHFFFAOYSA-N |
CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4 nccc5C(=O)NC=Nc45; CN(C)CCc1ccc(cc1)C2CC N(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5 |
8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21065 | FQC CHEMBL481473 ZINC000002382736 |
2 | C16 H8 Cl2 F N5 O | InChI=1S/C16H8Cl2FN5O/c17 -9-1-4-14(12(18)5-9)24-15 (25)11-6-10(19)2-3-13(11) 22-16(24)23-8-20-7-21-23/ h1-8H; IJJVMEJXYNJXOJ-UHFFFAOYSA-N |
c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(c c4Cl)Cl; Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1) c4ccc(Cl)cc4Cl |
3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one; Fluquinconazole |
| 21066 | FQD CHEMBL1532322 ZINC000008666451 |
2 | C12 H7 F N2 O S | InChI=1S/C12H7FN2OS/c13-8 -3-1-7(2-4-8)9-5-17-12-10 (9)11(16)14-6-15-12/h1-6H ,(H,14,15,16); DARIIFLATJJEOB-UHFFFAOYSA-N |
c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3; c1cc(cc c1c2csc3c2C(=O)NC=N3)F; Fc1ccc(cc1)c2csc 3N=CNC(=O)c23 |
5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| 21067 | FQE CHEMBL4438830 |
4 | C27 H33 N7 O | InChI=1S/C27H33N7O/c1-32( 2)12-7-20-4-3-5-23(16-20) 22-9-14-33(15-10-22)13-8- 21-17-31-34(18-21)26-25-2 4(6-11-28-26)27(35)30-19- 29-25/h3-6,11,16-19,22H,7 -10,12-15H2,1-2H3,(H,29,3 0,35); VQBICUVJQVNKBH-UHFFFAOYSA-N |
CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4 c5c(ccn4)C(=O)NC=N5; CN(C)CCc1cccc(c1)C2 CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45 |
8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21068 | FQF | 8 | C18 H32 O3 | InChI=1S/C18H32O3/c1-15(2 )7-5-8-16(3)9-6-10-17(4)1 1-12-21-14-18(20)13-19/h7 ,9,11,18-20H,5-6,8,10,12- 14H2,1-4H3/b16-9+,17-11+/ t18-/m1/s1; VGIZXGYRSPTVQF-LEAVJPGDSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO; CC( =CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C ; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C; CC(C )=CCCC(/C)=C/CC/C(C)=C/COC[C@H](O)CO |
(2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol |
| 21069 | FQG CHEMBL3891994 |
1 | C26 H23 Cl2 N5 O3 | InChI=1S/C26H23Cl2N5O3/c1 -26(2,36)15-30-25(35)22-1 4-23(33(32-22)16-8-4-3-5- 9-16)31-24(34)18-12-17(19 (27)13-20(18)28)21-10-6-7 -11-29-21/h3-14,36H,15H2, 1-2H3,(H,30,35)(H,31,34); NXDRKVFQQJUBOG-UHFFFAOYSA-N |
CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3 cc(c(cc3Cl)Cl)c4ccccn4)O; CC(C)(O)CNC(=O )c1cc(NC(=O)c2cc(c(Cl)cc2Cl)c3ccccn3)n(n 1)c4ccccc4; C(c3nn(c(NC(c1c(Cl)cc(Cl)c(c 1)c2ncccc2)=O)c3)c4ccccc4)(=O)NCC(O)(C)C |
5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide |
| 21070 | FQH CHEMBL3775548 ZINC000653730611 |
4 | C24 H23 F3 N6 O | InChI=1S/C24H23F3N6O/c25- 24(26,27)19-3-1-2-18(12-1 9)17-6-10-32(11-7-17)9-5- 16-13-31-33(14-16)22-21-2 0(4-8-28-22)23(34)30-15-2 9-21/h1-4,8,12-15,17H,5-7 ,9-11H2,(H,29,30,34); ZBLHURFMYIWFIY-UHFFFAOYSA-N |
c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3 )c4c5c(ccn4)C(=O)NC=N5; FC(F)(F)c1cccc(c 1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc 45 |
8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21071 | FQI CHEMBL3608990 ZINC000002753342 |
1 | C5 H4 Cl N O S | InChI=1S/C5H4ClNOS/c6-4-2 -1-3(9-4)5(7)8/h1-2H,(H2, 7,8); OMOBWMBJNNCUFO-UHFFFAOYSA-N |
O=C(N)c1sc(Cl)cc1; c1cc(sc1C(=O)N)Cl; NC (=O)c1sc(Cl)cc1 |
5-CHLORO-2-THIOPHENECARBOXAMIDE |
| 21072 | FQJ CHEMBL1896117 ZINC000006881779 |
1 | C17 H13 Cl2 N3 O | InChI=1S/C17H13Cl2N3O/c1- 11-9-16(22(21-11)13-5-3-2 -4-6-13)20-17(23)14-8-7-1 2(18)10-15(14)19/h2-10H,1 H3,(H,20,23); AJPLAFYBSJYISV-UHFFFAOYSA-N |
Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl ; n1n(c(cc1C)NC(c2ccc(cc2Cl)Cl)=O)c3cccc c3; Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3cc ccc3 |
2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide |
| 21073 | FQK CHEMBL4525269 |
1 | C20 H24 N6 O | InChI=1S/C20H24N6O/c27-20 -17-4-7-21-19(18(17)22-13 -23-20)26-12-16(10-24-26) 15-5-8-25(9-6-15)11-14-2- 1-3-14/h4,7,10,12-15H,1-3 ,5-6,8-9,11H2,(H,22,23,27 ); FQYVJQRHNLIPIK-UHFFFAOYSA-N |
O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5C CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN (CC4)CC5CCC5 |
8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21074 | FQL CHEMBL4739986 |
2 | C17 H20 Cl2 N4 O3 | InChI=1S/C17H20Cl2N4O3/c1 -10(24)15(20-2)16(25)21-5 -3-4-6-23-9-22-14-8-13(19 )12(18)7-11(14)17(23)26/h 3-4,7-10,15,20,24H,5-6H2, 1-2H3,(H,21,25)/b4-3+/t10 -,15+/m1/s1; JMUJNICGYNVYJM-BXFHZFJXSA-N |
CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl) c(Cl)cc2C1=O; CC(C(C(=O)NCC=CCN1C=Nc2cc( c(cc2C1=O)Cl)Cl)NC)O; C[C@H]([C@@H](C(=O )NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O; CN[C@@H]([C@@H](C)O)C(=O)NC/C=C/CN1C=Nc 2cc(Cl)c(Cl)cc2C1=O |
(2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide |
| 21075 | FQM CHEMBL4460719 |
1 | C22 H17 Cl N6 O2 | InChI=1S/C22H17ClN6O2/c23 -16-10-9-13(17-7-4-8-19(2 4)26-17)11-15(16)22(31)27 -20-12-18(21(25)30)28-29( 20)14-5-2-1-3-6-14/h1-12H ,(H2,24,26)(H2,25,30)(H,2 7,31); YVUMGRGBUXDTQI-UHFFFAOYSA-N |
NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3 )n(n1)c4ccccc4; c1ccc(cc1)n2c(cc(C(=O)N) n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O; c1ccc( cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c 4cccc(n4)N |
5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide |
| 21076 | FQN CHEMBL4529932 |
5 | C20 H24 N6 O | InChI=1S/C20H24N6O/c27-20 -17-5-8-21-19(18(17)22-13 -23-20)26-12-15(11-24-26) 14-6-9-25(10-7-14)16-3-1- 2-4-16/h5,8,11-14,16H,1-4 ,6-7,9-10H2,(H,22,23,27); XYBBSEAKIBCXQV-UHFFFAOYSA-N |
O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CC CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN (CC4)C5CCCC5 |
8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21077 | FQP DB07782 ZINC000013517846 |
2 | C6 H8 F3 N3 O7 P2 | InChI=1S/C6H8F3N3O7P2/c7- 6(8,9)5-11-1-3(4(10)12-5) 2-18-21(16,17)19-20(13,14 )15/h1H,2H2,(H,16,17)(H2, 10,11,12)(H2,13,14,15); UKNJCTHTCAKKNG-UHFFFAOYSA-N |
c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(= O)(O)O; Nc1nc(ncc1CO[P@@](O)(=O)O[P](O)( O)=O)C(F)(F)F; FC(F)(F)c1nc(N)c(cn1)COP( =O)(O)OP(=O)(O)O; Nc1nc(ncc1CO[P](O)(=O) O[P](O)(O)=O)C(F)(F)F; c1c(c(nc(n1)C(F)( F)F)N)COP(=O)(O)OP(=O)(O)O |
4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE |
| 21078 | FQQ CHEMBL4573390 |
4 | C24 H25 Cl N6 O | InChI=1S/C24H25ClN6O/c1-2 4(18-3-2-4-19(25)13-18)7- 11-30(12-8-24)10-6-17-14- 29-31(15-17)22-21-20(5-9- 26-22)23(32)28-16-27-21/h 2-5,9,13-16H,6-8,10-12H2, 1H3,(H,27,28,32); BPCMQRINPLMHHT-UHFFFAOYSA-N |
CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)N C=N4)c5cccc(c5)Cl; CC1(CCN(CCc2cnn(c2)c3 nccc4C(=O)NC=Nc34)CC1)c5cccc(Cl)c5 |
8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
| 21079 | FQR CHEMBL4539528 |
1 | C16 H17 Br Cl N3 O4 | InChI=1S/C16H17BrClN3O4/c 1-9(22)14(19)16(24)25-5-3 -2-4-21-8-20-13-7-11(17)1 2(18)6-10(13)15(21)23/h2- 3,6-9,14,22H,4-5,19H2,1H3 /b3-2+/t9-,14+/m1/s1; MQNOSNHJDCSEMB-XKKUMHBKSA-N |
C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c (Cl)cc2C1=O; CC(C(C(=O)OCC=CCN1C=Nc2cc(c (cc2C1=O)Cl)Br)N)O; C[C@@H](O)[C@H](N)C( =O)OC/C=C/CN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[ C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2 C1=O)Cl)Br)N)O |
[(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate |
| 21080 | FQT | 2 | C24 H43 N3 O15 P2 | InChI=1S/C24H43N3O15P2/c1 -3-5-7-9-19(28)37-13-16(4 0-20(29)10-8-6-4-2)14-38- 43(33,34)42-44(35,36)39-1 5-17-21(30)22(31)23(41-17 )27-12-11-18(25)26-24(27) 32/h11,16-17,21-23,30-31H ,3-10,12-15,25H2,1-2H3,(H ,26,32)(H,33,34)(H,35,36) /t16-,17+,21+,22+,23+/m0/ s1; ZCBKOYRYPJUKTK-PFMQYRJWSA-N |
CCCCCC(=O)OC[C@@H](CO[P](O)(=O)O[P](O)(= O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=C (N)NC2=O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H] (COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H] ([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCC C; CCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)( =O)OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=C(N)N C2=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(=O)( O)OP(=O)(O)OCC1C(C(C(O1)N2CC=C(NC2=O)N)O )O)OC(=O)CCCCC |
[(2~{S})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate |
| 21081 | FQU CHEMBL4470902 |
2 | C17 H21 Br Cl N3 O4 | InChI=1S/C17H21BrClN3O4/c 1-10(23)15(20)17(25)26-6- 4-2-3-5-22-9-21-14-8-12(1 8)13(19)7-11(14)16(22)24/ h7-10,15,23H,2-6,20H2,1H3 /t10-,15+/m1/s1; STFFHZKFSKKMRC-BMIGLBTASA-N |
CC(C(C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)B r)N)O; C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2c c(c(cc2C1=O)Cl)Br)N)O; C[CH](O)[CH](N)C( =O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[C@ @H](O)[C@H](N)C(=O)OCCCCCN1C=Nc2cc(Br)c( Cl)cc2C1=O |
5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate |
| 21082 | FQV CHEMBL4161324 |
2 | C10 H11 N O2 S Se | InChI=1S/C10H11NO2SSe/c1- 2-3-8-15-10-6-4-9(5-7-10) 14(11,12)13/h4-7H,8H2,1H3 ,(H2,11,12,13); SYXVSYLKIVCGJW-UHFFFAOYSA-N |
C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O; CC#CC[S e]c1ccc(cc1)[S](N)(=O)=O; CC#CC[Se]c1ccc (cc1)S(=O)(=O)N |
4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide |
| 21083 | FQW CHEMBL3318816 ZINC000222801484 |
4 | C20 H18 N4 O | InChI=1S/C20H18N4O/c21-20 -23-18-16(19(25)24-20)15( 12-11-13-7-3-1-4-8-13)17( 22-18)14-9-5-2-6-10-14/h1 -10H,11-12H2,(H4,21,22,23 ,24,25); YBOPRCBPMVVKCJ-UHFFFAOYSA-N |
O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc 4; NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c 4ccccc4; c1ccc(cc1)CCc2c3c([nH]c2c4ccccc 4)N=C(NC3=O)N |
2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one |
| 21084 | FQX CHEMBL462490 ZINC000000023110 |
4 | C8 H4 N4 O4 | InChI=1S/C8H4N4O4/c13-7-8 (14)10-4-2-6-5(1-3(4)9-7) 11-16-12(6)15/h1-2H,(H,9, 13)(H,10,14); GBLOKWQVACPFGV-UHFFFAOYSA-N |
c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-]; [O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12; [O-] [n+]3onc2c3cc1NC(=O)C(=O)Nc1c2 |
[1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide |
| 21085 | FQY CHEMBL4171524 |
2 | C12 H17 N O2 S Se | InChI=1S/C12H17NO2SSe/c13 -16(14,15)10-6-8-12(9-7-1 0)17-11-4-2-1-3-5-11/h6-9 ,11H,1-5H2,(H2,13,14,15); IGTNDRSNATZZDO-UHFFFAOYSA-N |
c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2; N[S](= O)(=O)c1ccc([Se]C2CCCCC2)cc1; c1c(ccc(c1 )[Se]C2CCCCC2)S(N)(=O)=O |
4-(cyclohexylselanyl)benzene-1-sulfonamide |
| 21086 | FQZ | 2 | C8 H14 O4 | InChI=1S/C8H14O4/c1-4-2-5 (8(11)12)3-6(9)7(4)10/h4- 7,9-10H,2-3H2,1H3,(H,11,1 2)/t4-,5+,6+,7+/m0/s1; OBDLOCPYNMEWCH-BDVNFPICSA-N |
C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O; CC1CC (CC(C1O)O)C(=O)O; C[C@H]1C[C@H](C[C@H]([ C@@H]1O)O)C(=O)O; C[C@H]1C[C@H](C[C@@H]( O)[C@@H]1O)C(O)=O |
(1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid |
| 21087 | FR0 CHEMBL93647 DB02616 ZINC000015796001 |
1 | C16 H15 N7 S2 | InChI=1S/C16H15N7S2/c17-1 4(18)23-16-22-12(8-24-16) 13-6-5-9(25-13)7-19-15-20 -10-3-1-2-4-11(10)21-15/h 1-6,8H,7H2,(H2,19,20,21)( H4,17,18,22,23); CKJGKHXCUDWFDC-UHFFFAOYSA-N |
NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3) cc2; c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4cs c(n4)N=C(N)N; N(=C(/N)N)\c4nc(c1sc(cc1)C Nc2nc3ccccc3n2)cs4 |
N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE; FR117016 |
| 21088 | FR1 DB03702 ZINC000003951728 |
1 | C26 H33 F3 N4 O7 | InChI=1S/C26H33F3N4O7/c1- 13(2)19(21(36)26(27,28)29 )31-24(39)17-6-5-11-33(17 )25(40)20(14(3)4)32-23(38 )16-9-7-15(8-10-16)22(37) 30-12-18(34)35/h7-10,13-1 4,17,19-20H,5-6,11-12H2,1 -4H3,(H,30,37)(H,31,39)(H ,32,38)(H,34,35)/t17-,19- ,20-/m0/s1; MRTSIBBMOWLRPY-IHPCNDPISA-N |
CC(C)[CH](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O) C(=O)N2CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F )(F)F; CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[ C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc( cc2)C(=O)NCC(=O)O; O=C(NC(C(=O)C(F)(F)F) C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)NCC(=O )O)cc1)C(C)C)CCC2; CC(C)[C@H](NC(=O)c1cc c(cc1)C(=O)NCC(O)=O)C(=O)N2CCC[C@H]2C(=O )N[C@@H](C(C)C)C(=O)C(F)(F)F; CC(C)C(C(= O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC( =O)c2ccc(cc2)C(=O)NCC(=O)O |
2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID |
| 21089 | FR2 CHEMBL329433 DB02096 |
1 | C14 H17 N3 O2 | InChI=1S/C14H17N3O2/c15-1 4(19)13-8-17(10-16-13)12( 9-18)7-6-11-4-2-1-3-5-11/ h1-5,8,10,12,18H,6-7,9H2, (H2,15,19)/t12-/m1/s1; ZUYUIKKHHBEVHL-GFCCVEGCSA-N |
c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N; NC (=O)c1cn(cn1)[CH](CO)CCc2ccccc2; c1ccc(c c1)CCC(CO)n2cc(nc2)C(=O)N; O=C(c1ncn(c1) C(CO)CCc2ccccc2)N; NC(=O)c1cn(cn1)[C@@H] (CO)CCc2ccccc2 |
1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; FR221647 |
| 21090 | FR3 DB03572 ZINC000005974960 |
1 | C18 H19 N3 O2 | InChI=1S/C18H19N3O2/c19-1 8(23)17-10-21(12-20-17)15 (11-22)9-8-14-6-3-5-13-4- 1-2-7-16(13)14/h1-7,10,12 ,15,22H,8-9,11H2,(H2,19,2 3)/t15-/m1/s1; URGFTPMACWKJKU-OAHLLOKOSA-N |
NC(=O)c1cn(cn1)[C@@H](CO)CCc2cccc3ccccc2 3; NC(=O)c1cn(cn1)[CH](CO)CCc2cccc3ccccc 23; c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3) C(=O)N; c1ccc2c(c1)cccc2CCC(CO)n3cc(nc3) C(=O)N; O=C(c1ncn(c1)C(CO)CCc3c2ccccc2cc c3)N |
1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; FR230513 |
| 21091 | FR4 CHEMBL338076 DB07783 ZINC000012153009 |
1 | C25 H27 N5 O3 | InChI=1S/C25H27N5O3/c26-2 5(33)22-15-30(17-27-22)21 (16-31)11-13-29-12-10-19- 7-8-20(14-23(19)29)28-24( 32)9-6-18-4-2-1-3-5-18/h1 -5,7-8,10,12,14-15,17,21, 31H,6,9,11,13,16H2,(H2,26 ,33)(H,28,32)/t21-/m1/s1; GUYYFMCFEPDDFL-OAQYLSRUSA-N |
c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CCC(CO) n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[CH](CO) CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; c1ccc (cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n 4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](CO )CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; O=C( N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)C Cc4ccccc4 |
1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE; FR233624 |
| 21092 | FR5 CHEMBL93280 ZINC000002047652 |
1 | C27 H29 N7 O3 | InChI=1S/C27H29N7O3/c1-32 -23-5-3-2-4-21(23)31-25(3 2)8-9-26(36)30-19-7-6-18- 10-12-33(24(18)14-19)13-1 1-20(16-35)34-15-22(27(28 )37)29-17-34/h2-7,10,12,1 4-15,17,20,35H,8-9,11,13, 16H2,1H3,(H2,28,37)(H,30, 36)/t20-/m1/s1; MBHAURHGCAJBCN-HXUWFJFHSA-N |
Cn1c(CCC(=O)Nc2ccc3ccn(CC[CH](CO)n4cnc(c 4)C(N)=O)c3c2)nc5ccccc15; Cn1c2ccccc2nc1 CCC(=O)Nc3ccc4ccn(c4c3)CCC(CO)n5cc(nc5)C (=O)N; Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO )n4cnc(c4)C(N)=O)c3c2)nc5ccccc15; Cn1c2c cccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](C O)n5cc(nc5)C(=O)N; O=C(N)c1ncn(c1)C(CO)C Cn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C |
1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; FR235999 |
| 21093 | FR6 CHEMBL93560 DB03220 ZINC000000024494 |
1 | C19 H21 N3 O2 | InChI=1S/C19H21N3O2/c1-13 (23)18(22-11-17(19(20)24) 21-12-22)10-9-15-7-4-6-14 -5-2-3-8-16(14)15/h2-8,11 -13,18,23H,9-10H2,1H3,(H2 ,20,24)/t13-,18+/m0/s1; OODDZQQDDOVCFD-SCLBCKFNSA-N |
C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C (N)=O; CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C( =O)N)O; C[C@@H]([C@@H](CCc1cccc2c1cccc2) n3cc(nc3)C(=O)N)O; C[C@H](O)[C@@H](CCc1c ccc2ccccc12)n3cnc(c3)C(N)=O; O=C(c1ncn(c 1)C(C(O)C)CCc3c2ccccc2ccc3)N |
1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE; FR233623 |
| 21094 | FR7 CHEMBL328139 DB03370 ZINC000000025432 |
1 | C15 H17 Cl2 N3 O2 | InChI=1S/C15H17Cl2N3O2/c1 -9(21)13(20-7-12(15(18)22 )19-8-20)6-5-10-3-2-4-11( 16)14(10)17/h2-4,7-9,13,2 1H,5-6H2,1H3,(H2,18,22)/t 9-,13+/m0/s1; HCJYSIGJDKNVRU-TVQRCGJNSA-N |
CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O; C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2) C(N)=O; Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O) N)C(O)C; C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl )n2cc(nc2)C(=O)N)O; C[C@H](O)[C@@H](CCc1 cccc(Cl)c1Cl)n2cnc(c2)C(N)=O |
1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE; FR239087 |
| 21095 | FR8 CHEMBL121939 ZINC000013580949 |
1 | C27 H31 N5 O3 | InChI=1S/C27H31N5O3/c28-2 7(35)24-17-32(19-29-24)23 (18-33)13-15-31-14-12-21- 10-11-22(16-25(21)31)30-2 6(34)9-5-4-8-20-6-2-1-3-7 -20/h1-3,6-7,10-12,14,16- 17,19,23,33H,4-5,8-9,13,1 5,18H2,(H2,28,35)(H,30,34 )/t23-/m1/s1; SLLHIZOLSGWMLR-HSZRJFAPSA-N |
NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O )CCCCc4ccccc4)cc23; NC(=O)c1cn(cn1)[C@@H ](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc23 ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[ C@H](CO)n4cc(nc4)C(=O)N; O=C(N)c1ncn(c1) C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4 ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CCC (CO)n4cc(nc4)C(=O)N |
1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; FR235380 |
| 21096 | FR9 CHEMBL125386 DB02830 ZINC000012502694 |
1 | C24 H26 N6 O3 | InChI=1S/C24H26N6O3/c25-2 3(32)21-14-30(16-27-21)20 (15-31)9-11-29-10-8-18-6- 7-19(12-22(18)29)28-24(33 )26-13-17-4-2-1-3-5-17/h1 -8,10,12,14,16,20,31H,9,1 1,13,15H2,(H2,25,32)(H2,2 6,28,33)/t20-/m1/s1; KCCUBLLGAMGDJL-HXUWFJFHSA-N |
c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CCC(CO) n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](C O)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23; O=C (N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O) NCc4ccccc4; c1ccc(cc1)CNC(=O)Nc2ccc3ccn( c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N; NC(=O)c 1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)NCc4cc ccc4)cc23 |
1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE; FR236913 |
| 21097 | FRA DB07784 |
2 | C21 H23 N3 O7 | InChI=1S/C21H23N3O7/c1-11 (25)22-13-2-4-14(5-3-13)2 4-18(28)16-12-6-8-21(9-7- 12,17(16)19(24)29)23-20(3 0)31-10-15(26)27/h2-5,12, 16-17H,6-10H2,1H3,(H,22,2 5)(H,23,30)(H,26,27)/t12- ,16-,17+,21-/m1/s1; WBCOLMYVEBTZOA-OKRSVSQCSA-N |
CC(=O)Nc1ccc(cc1)N2C(=O)[CH]3C4CCC(CC4)( NC(=O)OCC(O)=O)[CH]3C2=O; O=C(O)COC(=O)N C12CCC(CC1)C3C(=O)N(C(=O)C23)c4ccc(NC(=O )C)cc4; CC(=O)Nc1ccc(cc1)N2C(=O)C3C4CCC( C3C2=O)(CC4)NC(=O)OCC(=O)O; CC(=O)Nc1ccc (cc1)N2C(=O)[C@@H]3C4CCC(CC4)(NC(=O)OCC( O)=O)[C@@H]3C2=O; CC(=O)Nc1ccc(cc1)N2C(= O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OC C(=O)O |
[4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID |
| 21098 | FRB CHEMBL106187 DB03957 ZINC000014880973 |
2 | C25 H33 Cl2 N7 O2 | InChI=1S/C25H33Cl2N7O2/c2 6-18-8-4-7-17(22(18)27)20 -13-19(32-33-20)15-9-11-3 4(12-10-15)21(35)14-30-24 (36)23(31-25(28)29)16-5-2 -1-3-6-16/h4,7-8,13,15-16 ,23H,1-3,5-6,9-12,14H2,(H ,30,36)(H,32,33)(H4,28,29 ,31)/t23-/m1/s1; SSSXBBASYYVGCI-HSZRJFAPSA-N |
c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3) C(=O)CNC(=O)C(C4CCCCC4)NC(=N)N; NC(=N)N[ CH](C1CCCCC1)C(=O)NCC(=O)N2CCC(CC2)c3[nH ]nc(c3)c4cccc(Cl)c4Cl; c1cc(c(c(c1)Cl)Cl )c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H ](C4CCCCC4)NC(=N)N; NC(=N)N[C@H](C1CCCCC 1)C(=O)NCC(=O)N2CCC(CC2)c3[nH]nc(c3)c4cc cc(Cl)c4Cl; O=C(NCC(=O)N3CCC(c1cc(nn1)c2 cccc(Cl)c2Cl)CC3)C(NC(=[N@H])N)C4CCCCC4 |
2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE; SP2456 |
| 21099 | FRC CHEMBL92404 DB07785 ZINC000005890115 |
1 | C19 H21 N3 O3 | InChI=1S/C19H21N3O3/c1-13 (23)18(22-11-17(19(20)24) 21-12-22)8-9-25-16-7-6-14 -4-2-3-5-15(14)10-16/h2-7 ,10-13,18,23H,8-9H2,1H3,( H2,20,24)/t13-,18+/m0/s1; UYAJDVNLQJVRHD-SCLBCKFNSA-N |
CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O ; C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc( nc3)C(=O)N)O; O=C(c1ncn(c1)C(C(O)C)CCOc3 cc2ccccc2cc3)N; C[CH](O)[CH](CCOc1ccc2cc ccc2c1)n3cnc(c3)C(N)=O; C[C@H](O)[C@@H]( CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O |
1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE; FR247581 |
| 21100 | FRD CHEMBL19393 ZINC000006036847 |
0 | C9 H13 N | InChI=1S/C9H13N/c1-8(10)7 -9-5-3-2-4-6-9/h2-6,8H,7, 10H2,1H3/t8-/m1/s1; KWTSXDURSIMDCE-MRVPVSSYSA-N |
CC(Cc1ccccc1)N; NC(Cc1ccccc1)C; C[C@H](C c1ccccc1)N; C[CH](N)Cc1ccccc1; C[C@@H](N )Cc1ccccc1 |
1-PHENYL-2-AMINOPROPANE |
| 21101 | FRE DB03923 ZINC000169621243 |
1 | C31 H44 N7 O20 P3 S | InChI=1S/C31H44N7O20P3S/c 1-31(2,26(44)29(45)34-7-6 -20(40)33-8-9-62-21(41)5- 4-16-10-17(39)23(42)18(11 -16)53-3)13-55-61(51,52)5 8-60(49,50)54-12-19-25(57 -59(46,47)48)24(43)30(56- 19)38-15-37-22-27(32)35-1 4-36-28(22)38/h4-5,10-11, 14-15,19,24-26,30,39,42-4 4H,6-9,12-13H2,1-3H3,(H,3 3,40)(H,34,45)(H,49,50)(H ,51,52)(H2,32,35,36)(H2,4 6,47,48)/b5-4+/t19-,24-,2 5-,26+,30-/m1/s1; ILSPFIPSQSFPCN-VYBUCKLUSA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2 cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O )NCCSC(=O)C=Cc4cc(c(c(c4)OC)O)O)O; O=C(S CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP( =O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(= O)(O)O)\C=C\c4cc(O)c(O)c(OC)c4; 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(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c( c(c4)OC)O)O)O; COc1cc(C=CC(=O)SCCNC(=O)C CNC(=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)cc(O)c1O; COc1cc(\C=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)n3cnc4c(N)ncnc 34)cc(O)c1O |
FERULOYL COENZYME A |
| 21102 | FRF | 0 | C18 H22 N2 O2 | InChI=1S/C18H22N2O2/c19-1 6(11-14-7-3-1-4-8-14)13-2 0-17(18(21)22)12-15-9-5-2 -6-10-15/h1-10,16-17,20H, 11-13,19H2,(H,21,22)/t16- ,17-/m0/s1; DOVYKTPJUZCUGU-IRXDYDNUSA-N |
c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N; c1c cc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O )N; N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccc cc2; O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2; N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2cccc c2 |
PHE-REDUCED-PHE |
| 21103 | FRG CHEMBL419362 DB03453 ZINC000013579788 |
2 | C26 H30 N4 O3 | InChI=1S/C26H30N4O3/c1-33 -25(32)23(29-24(31)17-22- 8-5-15-30(18-22)26(27)28) 16-21-13-11-20(12-14-21)1 0-9-19-6-3-2-4-7-19/h2-4, 6-7,11-14,22-23H,5,8,15-1 8H2,1H3,(H3,27,28)(H,29,3 1)/t22-,23+/m1/s1; MRNGXYMKYHNMLV-PKTZIBPZSA-N |
COC(=O)[C@H](Cc1ccc(cc1)C#Cc2ccccc2)NC(= O)C[C@H]3CCCN(C3)C(N)=N; [H]N=C(N)N1CCCC (C1)CC(=O)NC(Cc2ccc(cc2)C#Cc3ccccc3)C(=O )OC; O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C 1)Cc3ccc(C#Cc2ccccc2)cc3; [H]/N=C(/N)\N1 CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C# Cc3ccccc3)C(=O)OC; COC(=O)[CH](Cc1ccc(cc 1)C#Cc2ccccc2)NC(=O)C[CH]3CCCN(C3)C(N)=N |
2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER; (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER |
| 21104 | FRH CHEMBL429852 DB02581 ZINC000003990365 |
4 | C30 H37 Cl2 N7 O6 | InChI=1S/C30H37Cl2N7O6/c1 -16(2)12-21(36-30(33)34)2 8(41)35-14-25(40)39-10-8- 17(9-11-39)22-13-20(37-38 (22)3)19-5-7-23(27(32)26( 19)31)44-15-18-4-6-24(45- 18)29(42)43/h4-7,13,16-17 ,21H,8-12,14-15H2,1-3H3,( H,35,41)(H,42,43)(H4,33,3 4,36)/t21-/m1/s1; VNZHOIDQBPFEJU-OAQYLSRUSA-N |
[H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1 CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4cc c(o4)C(=O)O; CC(C)C[CH](NC(N)=N)C(=O)NCC (=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4oc(cc4 )C(O)=O)c(Cl)c3Cl; O=C(NCC(=O)N4CCC(c1cc (nn1C)c3ccc(OCc2oc(cc2)C(=O)O)c(Cl)c3Cl) CC4)C(NC(=[N@H])N)CC(C)C; CC(C)C[C@@H](N C(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c 3ccc(OCc4oc(cc4)C(O)=O)c(Cl)c3Cl; [H]N=C (N)NC(CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc( nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O |
5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID |
| 21105 | FRI DB02555 ZINC000053683837 |
5 | C33 H42 Cl2 N8 O4 | InChI=1S/C33H42Cl2N8O4/c1 -19(2)15-26(40-33(36)37)3 2(46)38-17-29(45)43-13-11 -22(12-14-43)27-16-25(41- 42(27)4)24-9-10-28(31(35) 30(24)34)47-18-21-5-7-23( 8-6-21)39-20(3)44/h5-10,1 6,19,22,26H,11-15,17-18H2 ,1-4H3,(H,38,46)(H,39,44) (H4,36,37,40)/t26-/m1/s1; VCXMTWSYQSVWRK-AREMUKBSSA-N |
CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(n n2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C) NC(=N)N; O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c 2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C )CC3)C)c(Cl)c4Cl)C; CC(C)C[CH](NC(N)=N)C (=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc 4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC(C)C[C@@H] (NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C )c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC (C)CC(C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3 ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N) N |
2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE; SP4160 |
| 21106 | FRJ CHEMBL1232829 DB03311 ZINC000095544211 |
3 | C26 H19 Br2 N3 O7 S3 | InChI=1S/C26H19Br2N3O7S3/ c1-2-21-23(24(32)14-11-19 (27)25(33)20(28)12-14)18- 8-7-17(13-22(18)38-21)41( 36,37)30-15-3-5-16(6-4-15 )40(34,35)31-26-29-9-10-3 9-26/h3-13,30,33H,2H2,1H3 ,(H,29,31); SXKBTDJJEQQEGE-UHFFFAOYSA-N |
CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S( =O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br ; O=S(=O)(Nc1nccs1)c5ccc(NS(=O)(=O)c4ccc 3c(C(=O)c2cc(Br)c(O)c(Br)c2)c(oc3c4)CC)c c5; CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(B r)c3)[S](=O)(=O)Nc4ccc(cc4)[S](=O)(=O)Nc 5sccn5 |
3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE |
| 21107 | FRK ZINC000016051635 |
1 | C21 H22 N2 O3 S | InChI=1S/C21H22N2O3S/c1-2 -3-4-5-18(26)22-21-23-19( 14-6-10-16(24)11-7-14)20( 27-21)15-8-12-17(25)13-9- 15/h6-13,24-25H,2-5H2,1H3 ,(H,22,23,26); RPLGSGRXKXSQAO-UHFFFAOYSA-N |
CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(c c3)O; CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c 3ccc(O)cc3; O=C(Nc2nc(c1ccc(O)cc1)c(s2)c 3ccc(O)cc3)CCCCC |
N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE; FR104783 |
| 21108 | FRL DB07786 ZINC000033821304 |
1 | C22 H21 Cl N4 O3 | InChI=1S/C22H21ClN4O3/c1- 13(28)19(27-11-18(21(24)2 9)25-12-27)10-7-14-3-2-4- 17-20(14)30-22(26-17)15-5 -8-16(23)9-6-15/h2-6,8-9, 11-13,19,28H,7,10H2,1H3,( H2,24,29)/t13-,19-/m0/s1; SMFRBBHLVBWHGB-DJJJIMSYSA-N |
C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl) n4cc(nc4)C(=O)N)O; C[C@H](O)[C@H](CCc1cc cc2nc(oc12)c3ccc(Cl)cc3)n4cnc(c4)C(N)=O; C[CH](O)[CH](CCc1cccc2nc(oc12)c3ccc(Cl) cc3)n4cnc(c4)C(N)=O; O=C(N)c1ncn(c1)C(C( O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4; CC(C( CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C (=O)N)O |
1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE; FR266364 |
| 21109 | FRM CHEMBL401843 DB03072 ZINC000005892749 |
2 | C23 H24 F N3 O | InChI=1S/C23H24FN3O/c1-16 -4-2-5-20-22(16)25-21(26- 23(20)28)6-3-13-27-14-11- 18(12-15-27)17-7-9-19(24) 10-8-17/h2,4-5,7-11H,3,6, 12-15H2,1H3,(H,25,26,28); LOFDUAJQRUYHBR-UHFFFAOYSA-N |
Cc1cccc2c1N=C(NC2=O)CCCN3CCC(=CC3)c4ccc( cc4)F; Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC( =CC3)c4ccc(cc4)F; Cc1cccc2C(=O)NC(=Nc12) CCCN3CCC(=CC3)c4ccc(F)cc4; Fc4ccc(C3=CCN (CCCC1=Nc2c(C(=O)N1)cccc2C)CC3)cc4 |
2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE |
| 21110 | FRO | 0 | C12 H14 N O5 S | InChI=1S/C12H15NO5S/c1-5( 14)7-10(15)13-8(12(16)17) 9(19-11(7)13)6-3-2-4-18-6 /h5-7,11,14H,2-4H2,1H3,(H ,16,17)/p-1/t5-,6+,7-,11+ /m0/s1; HGGAKXAHAYOLDJ-QMWPFBOUSA-M |
C[C@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O- ])=O)[C@H]3CCCO3; O=C2N1C(=C(SC1C2C(O)C) C3OCCC3)C([O-])=O; C[C@@H]([C@@H]1[C@@H] 2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O; CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-] )O; C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C([O- ])=O)[CH]3CCCO3 |
(5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE; FAROM |
| 21111 | FRP CHEMBL200077 ZINC000010339558 |
3 | C33 H41 F N4 O3 | InChI=1S/C33H41FN4O3/c1-4 -18-38(19-5-2)33(41)26-13 -9-12-25(22-26)32(40)37-3 0(21-24-10-7-6-8-11-24)29 (35)20-23(3)31(39)36-28-1 6-14-27(34)15-17-28/h6-17 ,22-23,29-30H,4-5,18-21,3 5H2,1-3H3,(H,36,39)(H,37, 40)/t23-,29+,30+/m1/s1; PZHFCAIXAVDQAK-STQWGSIPSA-N |
CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc 2)C(CC(C)C(=O)Nc3ccc(cc3)F)N; CCCN(CCC)C (=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@ @H](N)C[C@@H](C)C(=O)Nc3ccc(F)cc3; CCCN( CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2) [CH](N)C[CH](C)C(=O)Nc3ccc(F)cc3; Fc3ccc (NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CC C)CCC)c1)Cc2ccccc2)cc3; CCCN(CCC)C(=O)c1 cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C @@H](C)C(=O)Nc3ccc(cc3)F)N |
N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE |
| 21112 | FRQ CHEMBL361054 DB07787 ZINC000006579056 |
2 | C23 H24 F N3 O2 | InChI=1S/C23H24FN3O2/c24- 19-9-6-10-20-21(19)22(28) 25-23(29)27(20)14-5-4-13- 26-15-11-18(12-16-26)17-7 -2-1-3-8-17/h1-3,6-11H,4- 5,12-16H2,(H,25,28,29); PNPFDRCIGCUCMN-UHFFFAOYSA-N |
Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3cccc c3)CC4; c1ccc(cc1)C2=CCN(CC2)CCCCN3c4ccc c(c4C(=O)NC3=O)F; c1ccc(cc1)C2=CC[N@@](C C2)CCCCN3c4cccc(c4C(=O)NC3=O)F; Fc1cccc2 N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12 |
5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE |
| 21113 | FRR CHEMBL1079087 DB07788 ZINC000102051776 |
0 | C19 H22 O7 | InChI=1S/C19H22O7/c1-11-5 -3-7-14(20)18(23)15(21)8- 4-6-12-9-13(25-2)10-16(22 )17(12)19(24)26-11/h3-4,6 -7,9-11,15,18,21-23H,5,8H 2,1-2H3/b6-4+,7-3-/t11-,1 5+,18-/m1/s1; NEQZWEXWOFPKOT-QHSZRYGNSA-N |
O=C1OC(CC=CC(=O)C(O)C(O)CC=Cc2cc(OC)cc(O )c12)C; COc1cc(O)c2C(=O)O[C@H](C)C\C=C/C (=O)[C@@H](O)[C@@H](O)C/C=C/c2c1; CC1CC= CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O ; COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH]( O)[CH](O)CC=Cc2c1; C[C@@H]1CC=CC(=O)[C@H ]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O |
(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE |
| 21114 | FRS CHEMBL1092830 DB07789 ZINC000034285233 |
1 | C18 H17 F3 N10 O2 S | InChI=1S/C18H17F3N10O2S/c 1-9-4-11(14(33-9)18(19,20 )21)28-16(32)30-17-23-6-1 0(34-17)2-3-22-12-5-13(25 -7-24-12)29-15-26-8-27-31 -15/h4-8H,2-3H2,1H3,(H2,2 3,28,30,32)(H3,22,24,25,2 6,27,29,31); KNTGXMNWVXZIMW-UHFFFAOYSA-N |
Cc1cc(c(o1)C(F)(F)F)NC(=O)N=C2NC=C(S2)CC Nc3cc(ncn3)Nc4nc[nH]n4; Cc1cc(c(o1)C(F)( F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc 4nc[nH]n4; O=C(\N=C1/SC(=CN1)CCNc3ncnc(N c2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C; Cc1oc(c( NC(=O)N=C2NC=C(CCNc3cc(Nc4n[nH]cn4)ncn3) S2)c1)C(F)(F)F |
1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea |
| 21115 | FRT CHEMBL478409 DB07790 ZINC000038995985 |
1 | C20 H26 N6 O3 S | InChI=1S/C20H26N6O3S/c1-1 4(2)26-15(3)22-13-19(26)1 8-9-10-21-20(25-18)24-16- 5-7-17(8-6-16)30(27,28)23 -11-12-29-4/h5-10,13-14,2 3H,11-12H2,1-4H3,(H,21,24 ,25); LDXLQEXLXZCYSR-UHFFFAOYSA-N |
Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O )(=O)NCCOC; COCCN[S](=O)(=O)c1ccc(Nc2ncc c(n2)c3cnc(C)n3C(C)C)cc1; O=S(=O)(NCCOC) c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C |
N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE |
| 21116 | FRU CHEMBL604608 ZINC000001529270 |
1021 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4-,5+,6 -/m1/s1; RFSUNEUAIZKAJO-ARQDHWQXSA-N |
OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@ @H]([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)( CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O )O; OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1 O |
beta-D-fructofuranose; beta-D-fructose; D-fructose; fructose |
| 21117 | FRV DB07791 ZINC000038995986 |
1 | C18 H20 N6 O2 S | InChI=1S/C18H20N6O2S/c1-1 2-21-11-17(24(12)14-5-6-1 4)16-9-10-20-18(23-16)22- 13-3-7-15(8-4-13)27(25,26 )19-2/h3-4,7-11,14,19H,5- 6H2,1-2H3,(H,20,22,23); MZWCVBFANHIPTJ-UHFFFAOYSA-N |
O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3 C4CC4)C; CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c 3cnc(C)n3C4CC4)cc1; Cc1ncc(n1C2CC2)c3ccn c(n3)Nc4ccc(cc4)S(=O)(=O)NC |
4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE |
| 21118 | FRW ZINC000039290217 |
2 | C24 H30 F3 N3 O6 | InChI=1S/C24H30F3N3O6/c1- 12(2)17(19(31)24(25,26)27 )28-21(33)16-6-5-11-30(16 )22(34)18(13(3)4)29-20(32 )14-7-9-15(10-8-14)23(35) 36/h7-10,12-13,16-18H,5-6 ,11H2,1-4H3,(H,28,33)(H,2 9,32)(H,35,36)/t16-,17-,1 8-/m0/s1; FGNPKLCZJAUKFU-BZSNNMDCSA-N |
CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C (C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C)[C@@ H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O) [C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C )[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2CCC [C@H]2C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F; CC(C)[CH](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2 CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F)(F)F; O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC (=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2 |
4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid |
| 21119 | FRX DB07792 ZINC000028818268 |
4 | C20 H19 Cl N4 O4 S | InChI=1S/C20H19ClN4O4S/c2 1-16-9-12-8-13(24-19(12)3 0-16)18(28)23-14-7-11-3-1 -2-4-15(11)25(20(14)29)10 -17(27)22-5-6-26/h1-4,8-9 ,14,24,26H,5-7,10H2,(H,22 ,27)(H,23,28)/t14-/m0/s1; VUKPNWLGSLOHIF-AWEZNQCLSA-N |
Clc2sc1nc(cc1c2)C(=O)NC4C(=O)N(c3ccccc3C 4)CC(=O)NCCO; OCCNC(=O)CN1C(=O)[C@H](Cc2 ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3; c1ccc 2c(c1)CC(C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc (sc4[nH]3)Cl; c1ccc2c(c1)C[C@@H](C(=O)N2 CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl; OC CNC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)c3[ nH]c4sc(Cl)cc4c3 |
(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE |
| 21120 | FRY DB07793 ZINC000053683214 |
4 | C18 H15 Cl N4 O3 S | InChI=1S/C18H15ClN4O3S/c1 9-14-7-10-6-11(22-17(10)2 7-14)16(25)21-12-5-9-3-1- 2-4-13(9)23(18(12)26)8-15 (20)24/h1-4,6-7,12,14H,5, 8H2,(H2,20,24)(H,21,25)/t 12-,14+/m0/s1; ACSGSLPOHKRZCY-GXTWGEPZSA-N |
NC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)C3=C C4=C[CH](Cl)SC4=N3; ClC2SC1=NC(=CC1=C2)C (=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N; c1ccc2 c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4 =CC(SC4=N3)Cl; c1ccc2c(c1)CC(C(=O)N2CC(= O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl; NC(=O)CN1 C(=O)[C@H](Cc2ccccc12)NC(=O)C3=CC4=C[C@H ](Cl)SC4=N3 |
(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE |
| 21121 | FRZ CHEMBL259551 DB07794 ZINC000028565323 |
3 | C18 H13 N7 | InChI=1S/C18H13N7/c19-17- 12-10-13(20-22-18(12)23-2 1-17)15-14-8-4-5-9-25(14) 24-16(15)11-6-2-1-3-7-11/ h1-10H,(H3,19,21,22,23); XVECMUKVOMUNLE-UHFFFAOYSA-N |
c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5n n4)N; Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5 ccccc5; n1nc5c(cc1c3c4ccccn4nc3c2ccccc2) c(nn5)N |
5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE; FR180204 |
| 21122 | FS0 | 1 | Fe2 H S3 | InChI=1S/2Fe.H2S.2S/h;;1H 2;;/q;+1;;;/p-1; ANRWZFUZKQVIEA-UHFFFAOYSA-M |
S[Fe]1S[Fe]S1; [Fe]1S[Fe](S1)S | FE2/S3 CLUSTER |
| 21123 | FS1 | 0 | Fe S | InChI=1S/Fe.S; MBMLMWLHJBBADN-UHFFFAOYSA-N |
[Fe]=S; S=[Fe] | IRON/SULFUR CLUSTER |
| 21124 | FS2 | 17 | Fe4 O3 S2 | InChI=1S/4Fe.3O.2S; DEAINXNPDRNZAH-UHFFFAOYSA-N |
O1[Fe]O2[Fe]134O[Fe]356[S]4[Fe]52S6; O1[ Fe]O[Fe]1O[Fe]2S[Fe]S2 |
FE-S-O HYBRID CLUSTER |
| 21125 | FS3 | 0 | Fe3 S4 | InChI=1/3Fe.4S/rFe3S4/c4- 1-2(4)3(1,5-1,6-2)7(1)2; FCXHZBQOKRZXKS-ATNAIZIRAP |
S1[Fe]|2|3|4S[Fe]|56|2S[Fe]1|3|5S|46; S1 [Fe]234[Fe]156[S]2[Fe]35(S4)S6 |
FE3-S4 CLUSTER |
| 21126 | FS4 | 0 | Fe4 S4 | InChI=1/4Fe.4S/rFe4S4/c5- 1-2(5)3(1,5)4(1,2,6(1)2,7 (1)3)8(2)3; LJBDFODJNLIPKO-OPQUVCQLAW |
[S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]5 8)([S]61)[S]92; [Fe]1|2|3|4|5|[Fe]|6|78| 9|S1[Fe]|%10%11|2|6S|3[Fe]|4|7|%10(S|58) S|9%11 |
IRON/SULFUR CLUSTER |
| 21127 | FS5 | 2 | Fe8 S13 | InChI=1S/8Fe.H2S5.8S/c;;; ;;;;;1-3-5-4-2;;;;;;;;/h; ;;;;;;;1-2H;;;;;;;;/q;;;; ;;2*+1;;;;;;;;;/p-2; FDJYKHODDMRQJF-UHFFFAOYSA-L |
S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S] 25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S ]71; S(SS[Fe]12|S3[Fe]|4S5|[Fe]3S1|[Fe]5 S2|4)SS[Fe]67|S8[Fe]|9S|%10[Fe](S6|9)|S7 [Fe]8|%10 |
IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS; PENTASULFIDE-LINKED IRON CUBANES |
| 21128 | FS6 CHEMBL5193227 |
1 | C15 H21 N3 O S | InChI=1S/C15H21N3OS/c1-5- 11-14(10(3)19)9(2)17-15(1 1)12-8-20-13(18-12)6-7-16 -4/h8,16-17H,5-7H2,1-4H3; UTWAWNDFTMJUGN-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2; CC c1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C |
1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
| 21129 | FS7 ZINC000003165453 |
1 | C24 H25 N3 O5 S | InChI=1S/C24H25N3O5S/c1-1 4-7-12-21-19(13-14)22(18- 5-3-4-6-20(18)27-21)24(29 )32-15(2)23(28)26-16-8-10 -17(11-9-16)33(25,30)31/h 3-6,8-11,14-15H,7,12-13H2 ,1-2H3,(H,26,28)(H2,25,30 ,31)/t14-,15-/m0/s1; ZICDFSXBQFNQBM-GJZGRUSLSA-N |
O=S(=O)(N)c1ccc(cc1)NC(=O)C(OC(=O)c2c4c( nc3c2CC(CC3)C)cccc4)C; C[C@H]1CCc2nc3ccc cc3c(C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)[S]( N)(=O)=O)c2C1; C[C@H]1CCc2c(c(c3ccccc3n2 )C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O )N)C1; C[CH]1CCc2nc3ccccc3c(C(=O)O[CH](C )C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1; CC1C Cc2c(c(c3ccccc3n2)C(=O)OC(C)C(=O)Nc4ccc( cc4)S(=O)(=O)N)C1 |
(2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate |
| 21130 | FS8 CHEMBL4575052 ZINC000098208899 |
1 | C31 H27 F N2 O5 | InChI=1S/C31H27FN2O5/c32- 28-13-10-23(15-29(28)34-3 1(38)20-4-2-1-3-5-20)33-2 2-9-12-26-21(14-22)7-6-19 -8-11-25(16-27(19)30(26)3 7)39-18-24(36)17-35/h1-5, 8-16,24,33,35-36H,6-7,17- 18H2,(H,34,38)/t24-/m1/s1; ZPBRNNLSMHDHFY-XMMPIXPASA-N |
c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)C Cc5ccc(cc5C4=O)OCC(CO)O; c1ccc(cc1)C(=O) Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O) OC[C@@H](CO)O; OC[C@@H](O)COc1ccc2CCc3cc (Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c 2c1; Fc2ccc(cc2NC(=O)c1ccccc1)Nc5cc4c(C( =O)c3c(ccc(OCC(O)CO)c3)CC4)cc5; OC[CH](O )COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc 5)c4)ccc3C(=O)c2c1 |
N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide |
| 21131 | FS9 ZINC000009059591 |
1 | C18 H17 F3 N6 O | InChI=1S/C18H17F3N6O/c19- 18(20,21)12-2-1-3-13(8-12 )26-17(28)11-4-6-27(7-5-1 1)16-14-15(23-9-22-14)24- 10-25-16/h1-3,8-11H,4-7H2 ,(H,26,28)(H,22,23,24,25); RSRHDIYCQIWTON-UHFFFAOYSA-N |
FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3ncnc4[n H]cnc34)c1; FC(F)(F)c1cc(ccc1)NC(=O)C4CC N(c3ncnc2c3ncn2)CC4; c1cc(cc(c1)NC(=O)C2 CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F |
1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide |
| 21132 | FSA ZINC000058649601 |
6 | C8 H14 O7 S | InChI=1S/C8H14O7S/c9-4-1- 15-8(14,7(13)6(4)12)3-16- 2-5(10)11/h4,6-7,9,12-14H ,1-3H2,(H,10,11)/t4-,6-,7 +,8-/m1/s1; UORIXTGMSRMKDZ-CCXZUQQUSA-N |
C1C(C(C(C(O1)(CSCC(=O)O)O)O)O)O; O[CH]1C O[C](O)(CSCC(O)=O)[CH](O)[CH]1O; C1[C@H] ([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O ; O[C@@H]1CO[C@](O)(CSCC(O)=O)[C@@H](O)[ C@@H]1O; O=C(O)CSCC1(O)OCC(O)C(O)C1O |
1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose; 1-S-(carboxymethyl)-1-thio-beta-D-fructose; 1-S-(carboxymethyl)-1-thio-D-fructose; 1-S-(carboxymethyl)-1-thio-fructose |
| 21133 | FSB DB02069 |
2 | C14 H13 F N2 O3 S | InChI=1S/C14H13FN2O3S/c15 -13-4-2-1-3-11(13)9-17-14 (18)10-5-7-12(8-6-10)21(1 6,19)20/h1-8H,9H2,(H,17,1 8)(H2,16,19,20); ULYMHSXFSKOHGH-UHFFFAOYSA-N |
c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F ; c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F |
N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE |
| 21134 | FSC CHEMBL4244843 DB01780 |
36 | C36 H56 O12 | InChI=1S/C36H56O12/c1-10- 35(6,7)45-17-26-30(41)33( 46-21(5)38)31(42)34(47-26 )48-32-28-24(18(2)15-44-2 0(4)37)13-27(39)36(28,8)1 4-25-22(16-43-9)11-12-23( 25)19(3)29(32)40/h10,14,1 8-19,22-23,26-27,29-34,39 -42H,1,11-13,15-17H2,2-9H 3/b25-14-/t18-,19-,22-,23 +,26-,27+,29-,30-,31-,32- ,33+,34-,36+/m1/s1; KXTYBXCEQOANSX-WYKQKOHHSA-N |
COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3 O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[ CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)C OC(C)=O; COC[C@H]/1CC[C@H]2[C@@H](C)[C@@ H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C @@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C(C[C@H] (O)[C@]4(C)\C=C/12)[C@H](C)COC(C)=O; C[C @@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H]( CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H ]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C )O)[C@H](C)COC(=O)C)O)C)COC; CC1C2CCC(C2 =CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)( C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC; O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)C OC(\C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C (COC)CC4)C)C |
FUSICOCCIN |
| 21135 | FSD | 2 | C29 H42 N6 O9 | InChI=1S/C29H42N6O9/c1-15 -19(44-26-24(38)23(37)22( 34(4)5)16(2)43-26)10-11-2 1(42-15)35-13-12-20(33-28 (35)41)32-25(39)17-6-8-18 (9-7-17)31-27(40)29(3,30) 14-36/h6-9,12-13,15-16,19 ,21-24,26,36-38H,10-11,14 ,30H2,1-5H3,(H,31,40)(H,3 2,33,39,41)/t15-,16-,19+, 21-,22-,23+,24-,26-,29+/m 1/s1; HDNVYHWHCVTDIV-ZENIWSRCSA-N |
C[C@H]1O[C@H](CC[C@@H]1O[C@H]2O[C@H](C)[ C@H]([C@H](O)[C@H]2O)N(C)C)N3C=CC(=NC3=O )NC(=O)c4ccc(NC(=O)[C@@](C)(N)CO)cc4; CC 1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3) NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O) O; C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH] ([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O )c4ccc(NC(=O)[C](C)(N)CO)cc4; CC1OC(CCC1 OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c 3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O; C[C@@H] 1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c 3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@ H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O |
amicetin; (4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide |
| 21136 | FSE CHEMBL31574 DB07795 ZINC000000039111 |
4 | C15 H10 O6 | InChI=1S/C15H10O6/c16-8-2 -3-9-12(6-8)21-15(14(20)1 3(9)19)7-1-4-10(17)11(18) 5-7/h1-6,16-18,20H; XHEFDIBZLJXQHF-UHFFFAOYSA-N |
Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O; c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O ; O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc 3 |
3,7,3',4'-TETRAHYDROXYFLAVONE; Fisetin; 2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE |
| 21137 | FSF | 0 | Fe4 O S2 | InChI=1/4Fe.O.2S/rFe4OS2/ c1-2-7-3-4(7,5-1)6-3; ANJSROJJSKUDEH-RDKWERHRAJ |
[Fe]|1|2S[Fe]3|1O[Fe][Fe]S|23; O1[Fe][Fe ][S]2[Fe]13[Fe]2S3; O1[Fe][Fe][S@]2[Fe@] 13[Fe]2S3 |
4FE-2S-O HYBRID CLUSTER |
| 21138 | FSG ZINC000038139027 |
1 | C2 H5 F N O5 P | InChI=1S/C2H5FNO5P/c3-1(2 (5)4-6)10(7,8)9/h1,6H,(H, 4,5)(H2,7,8,9)/t1-/m0/s1; PDPXHRBRYUQCQA-SFOWXEAESA-N |
[C@H](C(=O)NO)(F)P(=O)(O)O; ONC(=O)[CH]( F)[P](O)(O)=O; O=C(NO)C(F)P(=O)(O)O; C(C (=O)NO)(F)P(=O)(O)O; ONC(=O)[C@@H](F)[P] (O)(O)=O |
[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID |
| 21139 | FSH ZINC000098208900 |
1 | C27 H35 N9 O16 P2 | InChI=1S/C27H35N9O16P2/c1 -10-3-12-13(4-11(10)2)35( 25(43)27(33-12)24(42)32-2 6(44)34-27)5-14(37)18(39) 15(38)6-49-53(45,46)52-54 (47,48)50-7-16-19(40)20(4 1)23(51-16)36-9-31-17-21( 28)29-8-30-22(17)36/h3-4, 8-9,14-16,18-20,23,33,37- 41H,5-7H2,1-2H3,(H,45,46) (H,47,48)(H2,28,29,30)(H2 ,32,34,42,44)/t14-,15+,16 +,18-,19+,20+,23+,27+/m0/ s1; HUPQKJNMCVRMPP-QUWWARRSSA-N |
Cc1cc2c(cc1C)N(C(=O)C3(N2)C(=O)NC(=O)N3) CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n 5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C]3(NC( =O)NC3=O)C(=O)N(C[CH](O)[CH](O)[CH](O)CO [P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O )[CH]4O)n5cnc6c(N)ncnc56)c2cc1C; Cc1cc2N [C@]3(NC(=O)NC3=O)C(=O)N(C[C@H](O)[C@H]( O)[C@H](O)CO[P@](O)(=O)O[P@](O)(=O)OC[C@ H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncn c56)c2cc1C; Cc1cc2c(cc1C)N(C(=O)[C@@]3(N 2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO [P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]( [C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O ; O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C (O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c (ncnc45)N)C(O)C6O)C)C |
(2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate |
| 21140 | FSI DB04211 |
13 | C11 H18 F N O9 | InChI=1S/C11H18FNO9/c1-3( 15)13-5-7(18)9(12)11(21,1 0(19)20)22-8(5)6(17)4(16) 2-14/h4-9,14,16-18,21H,2H 2,1H3,(H,13,15)(H,19,20)/ t4-,5-,6-,7-,8-,9-,11+/m1 /s1; ALJLGESFXXDPKH-RISWTRDCSA-N |
CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C @@H]([C@@H](CO)O)O)(C(=O)O)O)F)O; CC(=O) NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O; CC (=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH ](O)[CH](O)CO)C(O)=O; O=C(O)C1(O)OC(C(NC (=O)C)C(O)C1F)C(O)C(O)CO; CC(=O)N[C@@H]1 [C@@H](O)[C@@H](F)[C@](O)(O[C@H]1[C@H](O )[C@H](O)CO)C(O)=O |
5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid; 3-FLUOROSIALIC ACID; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid; 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid |
| 21141 | FSJ | 0 | C19 H35 F N4 O7 | InChI=1S/C19H35FN4O7/c1-1 9(27)7-28-18(13(26)16(19) 24-2)31-15-11(23)5-10(22) 14(12(15)25)30-17-9(21)4- 3-8(6-20)29-17/h3,9-18,24 -27H,4-7,21-23H2,1-2H3/t9 -,10+,11-,12+,13-,14-,15+ ,16-,17-,18-,19+/m1/s1; WYTHUXIFAFNYLB-YFMIWBNJSA-N |
C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H ]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3 [C@@H](CC=C(O3)CF)N)N)N)O; CN[CH]1[CH](O )[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[C H](O[CH]3OC(=CC[CH]3N)CF)[CH]2O; CC1(COC (C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CF) N)N)N)O; C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)O C3OCC(C(C3O)NC)(C)O)N)N; CN[C@@H]1[C@@H] (O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@ H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CF)[C@@ H]2O |
(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside; 6'-fluoro sisomicin |
| 21142 | FSK ZINC000098208901 |
2 | C10 H13 F N2 O3 | InChI=1S/C10H13FN2O3/c1-6 -8(3-7(4-11)5-14)13(2)10( 16)12-9(6)15/h3,14H,4-5H2 ,1-2H3,(H,12,15,16)/b7-3+; NEZZLCCSEJKABY-XVNBXDOJSA-N |
CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF; CN1C(=O) NC(=O)C(=C1\C=C(CO)/CF)C; CN1C(=O)NC(=O) C(=C1C=C(CO)CF)C; CC1=C(N(C(=O)NC1=O)C)/ C=C(/CO)\CF; O=C1C(=C(\C=C(/CF)CO)N(C(=O )N1)C)C |
6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione |
| 21143 | FSL ZINC000000155877 |
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-/m1/s1; LVFFZQQWIZURIO-MRVPVSSYSA-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)c1 ccccc1; O=C(O)C(c1ccccc1)CC(=O)O |
(2R)-2-phenylbutanedioic acid |
| 21144 | FSM | 0 | C16 H28 N2 O11 | InChI=1S/C16H28N2O11/c1-5 (21)17-9-13(25)11(23)7(3- 19)28-16(9)29-14-10(18-6( 2)22)15(26)27-8(4-20)12(1 4)24/h7-16,19-20,23-26H,3 -4H2,1-2H3,(H,17,21)(H,18 ,22)/t7-,8-,9-,10-,11+,12 +,13-,14-,15-,16-/m1/s1; FJGXDMQHNYEUHI-LRFIHEIOSA-N |
O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O) C(OC2O)CO)C; CC(=O)N[C@@H]1[C@H]([C@H]([ C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H ]([C@@H]2O)CO)O)NC(=O)C)CO)O)O; CC(=O)N[ CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[C H](O)[CH](CO)O[CH](O)[CH]2NC(C)=O; CC(=O )N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C @@H]1O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O )[C@@H]2NC(C)=O; CC(=O)NC1C(C(C(OC1OC2C( C(OC(C2O)CO)O)NC(=O)C)CO)O)O |
FORSMANN ANTIGEN; 2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE |
| 21145 | FSN DB07796 |
1 | C23 H24 F N4 O2 | InChI=1S/C23H23FN4O2/c24- 16-9-3-13(4-10-16)12-28-2 2(29)18-17-2-1-11-27(17)2 0(19(18)23(28)30)14-5-7-1 5(8-6-14)21(25)26/h3-10,1 7-20H,1-2,11-12H2,(H3,25, 26)/p+1/t17-,18-,19-,20-/ m0/s1; GJYCQHGTXMVIBG-MUGJNUQGSA-O |
NC(=[NH2+])c1ccc(cc1)[CH]2[CH]3[CH]([CH] 4CCCN24)C(=O)N(Cc5ccc(F)cc5)C3=O; c1cc(c cc1CN2C(=O)C3C4CCCN4C(C3C2=O)c5ccc(cc5)C (=[NH2+])N)F; NC(=[NH2+])c1ccc(cc1)[C@H] 2[C@@H]3[C@H]([C@@H]4CCCN24)C(=O)N(Cc5cc c(F)cc5)C3=O; c1cc(ccc1CN2C(=O)[C@H]3[C@ @H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5) C(=[NH2+])N)F; Fc1ccc(cc1)CN2C(=O)C5C(C2 =O)C3N(CCC3)C5c4ccc(C(=[NH2+])\N)cc4 |
(3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE |
| 21146 | FSO | 10 | Fe4 O3 S3 | InChI=1S/4Fe.3O.3S/q;;;;; ;;;-1;+1; JQPFOUXUGPAEOB-UHFFFAOYSA-N |
O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]; [S -][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23; O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-]; [S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23 |
IRON/SULFUR/OXYGEN HYBRID CLUSTER |
| 21147 | FSP CHEMBL185097 DB01858 ZINC000003817099 |
3 | C23 H29 F N4 O4 | InChI=1S/C23H29FN4O4/c1-2 -3-5-18(20(29)21(30)27-19 -10-13-25-28-19)26-22(31) 32-15-23(11-4-12-23)14-16 -6-8-17(24)9-7-16/h6-10,1 3,18H,2-5,11-12,14-15H2,1 H3,(H,26,31)(H2,25,27,28, 30)/t18-/m0/s1; QTPYRNAKLBXKNP-SFHVURJKSA-N |
CCCC[CH](NC(=O)OCC1(CCC1)Cc2ccc(F)cc2)C( =O)C(=O)Nc3[nH]ncc3; CCCC[C@H](NC(=O)OCC 1(CCC1)Cc2ccc(F)cc2)C(=O)C(=O)Nc3[nH]ncc 3; CCCCC(C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC 2(CCC2)Cc3ccc(cc3)F; CCCC[C@@H](C(=O)C(= O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3 )F; O=C(C(=O)C(NC(=O)OCC2(Cc1ccc(F)cc1)C CC2)CCCC)Nc3ccnn3 |
[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE |
| 21148 | FSQ | 3 | C8 H14 O5 | InChI=1S/C8H14O5/c1-8(13) 3-4(7(11)12)2-5(9)6(8)10/ h4-6,9-10,13H,2-3H2,1H3,( H,11,12)/t4-,5+,6-,8+/m0/ s1; OFMSIUGUPGSXKY-SKHQTKALSA-N |
C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O) =O; C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O )O)O; CC1(CC(CC(C1O)O)C(=O)O)O; C[C]1(O) C[CH](C[CH](O)[CH]1O)C(O)=O |
(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid |
| 21149 | FSR | 1 | C11 H17 F2 N O8 | InChI=1S/C11H17F2NO8/c1-3 (16)14-5-7(19)9(12)11(13, 10(20)21)22-8(5)6(18)4(17 )2-15/h4-9,15,17-19H,2H2, 1H3,(H,14,16)(H,20,21)/t4 -,5+,6-,7+,8+,9-,11+/m0/s 1; HMALKZAXODOYOP-JVUHFKPCSA-N |
CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[ CH](O)[CH](O)CO)C(O)=O; CC(=O)N[C@@H]1[C @@H](O)[C@H](F)[C@@](F)(O[C@H]1[C@@H](O) [C@@H](O)CO)C(O)=O; CC(=O)NC1C(C(C(OC1C( C(CO)O)O)(C(=O)O)F)F)O; FC1(OC(C(NC(=O)C )C(O)C1F)C(O)C(O)CO)C(=O)O; CC(=O)N[C@@H ]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](C O)O)O)(C(=O)O)F)F)O |
(2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid; 2,3-difluorosialic acid |
| 21150 | FSS ZINC000058660553 |
1 | C24 H26 Cl2 N6 O2 | InChI=1S/C24H26Cl2N6O2/c1 -4-31(5-2)15-34-18-11-9-1 7(10-12-18)28-23-27-13-16 -14-32(24(33)30(3)22(16)2 9-23)21-19(25)7-6-8-20(21 )26/h6-13H,4-5,14-15H2,1- 3H3,(H,27,28,29); MROKTXFTKSWSMO-UHFFFAOYSA-N |
CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N( C3)c4c(cccc4Cl)Cl)C; Clc4cccc(Cl)c4N2C(= O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C; CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c 4c(Cl)cccc4Cl)cc1 |
3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one |
| 21151 | FST ZINC000003875793 |
4 | C11 H17 O4 P S2 | InChI=1S/C11H17O4PS2/c1-4 -13-16(17,14-5-2)15-10-6- 8-11(9-7-10)18(3)12/h6-9H ,4-5H2,1-3H3/t18-/m1/s1; XDNBJTQLKCIJBV-GOSISDBHSA-N |
CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O; O=S( c1ccc(OP(=S)(OCC)OCC)cc1)C; CCOP(=S)(OCC )Oc1ccc(cc1)[S@](=O)C; CCOP(=S)(OCC)Oc1c cc(cc1)S(=O)C; CCO[P](=S)(OCC)Oc1ccc(cc1 )[S@@](C)=O |
O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate; Fensulfothion |
| 21152 | FSU CHEMBL3605967 |
4 | C13 H16 N2 O3 | InChI=1S/C13H16N2O3/c1-18 -7-3-6-15-8-9-4-2-5-10(12 (14)16)11(9)13(15)17/h2,4 -5H,3,6-8H2,1H3,(H2,14,16 ); VARCSQSOWLMGTH-UHFFFAOYSA-N |
COCCCN1Cc2cccc(c2C1=O)C(=O)N; COCCCN1Cc2 cccc(C(N)=O)c2C1=O |
2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide |
| 21153 | FSV ZINC000098208903 |
2 | C14 H11 F O3 | InChI=1S/C14H11FO3/c15-13 -7-9(3-4-14(13)18)1-2-10- 5-11(16)8-12(17)6-10/h1-8 ,16-18H/b2-1+; VDUXKKFOASWEKM-OWOJBTEDSA-N |
Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1; Oc1cc(O )cc(/C=C/c2ccc(O)c(F)c2)c1; c1cc(c(cc1/C =C/c2cc(cc(c2)O)O)F)O; c1cc(c(cc1C=Cc2cc (cc(c2)O)O)F)O; Fc2cc(\C=C\c1cc(O)cc(O)c 1)ccc2O |
5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol; fluoro-resveratrol |
| 21154 | FSW | 75 | C8 H16 O4 Se | InChI=1S/C8H16O4Se/c1-4-5 (9)6(10)7(13-3)8(11-2)12- 4/h4-10H,1-3H3/t4-,5+,6+, 7-,8+/m0/s1; GFGVRXDXSFUDNW-FMGWEMOISA-N |
CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1[Se]C; C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC) [Se]C)O)O; CC1C(C(C(C(O1)OC)[Se]C)O)O; C O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@ H]1[Se]C |
methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside; (2S,3S,4R,5S,6R)-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol; methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactoside; methyl 6-deoxy-2-Se-methyl-2-seleno-L-galactoside; methyl 6-deoxy-2-Se-methyl-2-seleno-galactoside |
| 21155 | FSX | 9 | Fe4 O3 S3 | InChI=1S/4Fe.H2O.2O.3S/h; ;;;1H2;;;;;/q;;;+1;;;;;;/ p-1; BIOGFUMNBIDAOG-UHFFFAOYSA-M |
O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2; [O][Fe]1O[F e]23S[Fe]245[S]3[Fe]4(O1)S5 |
BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II); FE4-S3-O3 CLUSTER |
| 21156 | FSY CHEMBL3137332 DB12011 ZINC000043101772 |
1 | C19 H17 F3 N2 O4 S | InChI=1S/C19H17F3N2O4S/c1 -11-15(9-17(25)26)14-4-3- 7-23-18(14)24(11)10-12-5- 6-13(29(2,27)28)8-16(12)1 9(20,21)22/h3-8H,9-10H2,1 -2H3,(H,25,26); GFPPXZDRVCSVNR-UHFFFAOYSA-N |
Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3n cccc3c1CC(O)=O; Cc1c(c2cccnc2n1Cc3ccc(cc 3C(F)(F)F)S(=O)(=O)C)CC(=O)O; OC(Cc1c3c( n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc 3)=O |
fevipiprant; (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid |
| 21157 | FSZ CHEMBL4476817 |
1 | C13 H17 F3 N4 | InChI=1S/C13H17F3N4/c14-1 3(15,16)10-5-9(8-1-3-19-4 -2-8)6-11(7-10)20-12(17)1 8/h5-8,19H,1-4H2,(H4,17,1 8,20); SVJLJEMEWHBCNB-UHFFFAOYSA-N |
[H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC 2; c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2; NC(=N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2 |
1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine |
| 21158 | FT0 CHEMBL240949 ZINC000028871069 |
4 | C13 H10 O3 | InChI=1S/C13H10O3/c14-9-1 0-6-7-13(12(15)8-10)16-11 -4-2-1-3-5-11/h1-9,15H; MYXBTODVMFBVIC-UHFFFAOYSA-N |
Oc1cc(C=O)ccc1Oc2ccccc2; c1ccc(cc1)Oc2cc c(cc2O)C=O |
3-hydroxy-4-phenoxybenzaldehyde |
| 21159 | FT1 CHEMBL240804 ZINC000096900552 |
6 | C13 H8 Cl2 O3 | InChI=1S/C13H8Cl2O3/c14-9 -2-4-12(10(15)6-9)18-13-3 -1-8(7-16)5-11(13)17/h1-7 ,17H; GKHZEXMYTPRFKV-UHFFFAOYSA-N |
Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl; Clc2cc(Cl )ccc2Oc1ccc(C=O)cc1O; c1cc(c(cc1C=O)O)Oc 2ccc(cc2Cl)Cl |
4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde |
| 21160 | FT2 CHEMBL240805 ZINC000028869356 |
4 | C13 H9 Cl3 O2 | InChI=1S/C13H9Cl3O2/c14-7 -8-1-3-13(11(17)5-8)18-12 -4-2-9(15)6-10(12)16/h1-6 ,17H,7H2; XVCALTYAVXDHNO-UHFFFAOYSA-N |
c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl; Oc1cc(C Cl)ccc1Oc2ccc(Cl)cc2Cl |
5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol |
| 21161 | FT3 CHEMBL240806 ZINC000028869360 |
2 | C13 H10 Cl2 O3 | InChI=1S/C13H10Cl2O3/c14- 9-2-4-12(10(15)6-9)18-13- 3-1-8(7-16)5-11(13)17/h1- 6,16-17H,7H2; GILJPGZIIDINED-UHFFFAOYSA-N |
OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1; c1cc(c(c c1CO)O)Oc2ccc(cc2Cl)Cl |
2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol |
| 21162 | FT4 CHEMBL179036 ZINC000013608926 |
1 | C21 H21 F N2 O4 S | InChI=1S/C21H21FN2O4S/c1- 23(29(27,28)16-9-6-14(22) 7-10-16)15-8-11-20-18(12- 15)17-4-2-3-5-19(17)24(20 )13-21(25)26/h2-7,9-10,15 H,8,11-13H2,1H3,(H,25,26) /t15-/m1/s1; CANCTKXGRVNXFP-OAHLLOKOSA-N |
CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4cc c(F)cc4)(=O)=O; CN([CH]1CCc2n(CC(O)=O)c3 ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4; CN(C1 CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4cc c(cc4)F; CN([C@@H]1CCc2c(c3ccccc3n2CC(=O )O)C1)S(=O)(=O)c4ccc(cc4)F; CN([C@@H]1CC c2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4cc c(F)cc4 |
[(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid; CAY10471 |
| 21163 | FT5 | 1 | C7 H12 O5 | InChI=1S/C7H12O5/c8-4-1-3 (7(11)12)2-5(9)6(4)10/h3- 6,8-10H,1-2H2,(H,11,12)/t 3-,4+,5-,6-; SOWVWGZSLABJMC-HMWJNGDSSA-N |
C1[C@H](C(C(CC1C(=O)O)O)O)O; O[C@H]1C[C@ H](C[C@@H](O)[C@@H]1O)C(O)=O; C1C(CC(C(C 1O)O)O)C(=O)O; O[CH]1C[CH](C[CH](O)[CH]1 O)C(O)=O |
(3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid |
| 21164 | FT6 ZINC000000056393 |
4 | C11 H11 F N2 O2 | InChI=1S/C11H11FN2O2/c12- 7-1-2-8-6(3-9(13)11(15)16 )5-14-10(8)4-7/h1-2,4-5,9 ,14H,3,13H2,(H,15,16)/t9- /m0/s1; YMEXGEAJNZRQEH-VIFPVBQESA-N |
N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O; O=C (O)C(N)Cc2c1ccc(F)cc1nc2; c1cc2c(cc1F)[n H]cc2CC(C(=O)O)N; N[CH](Cc1c[nH]c2cc(F)c cc12)C(O)=O; c1cc2c(cc1F)[nH]cc2C[C@@H]( C(=O)O)N |
6-FLUORO-L-TRYPTOPHAN; (S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID |
| 21165 | FT7 ZINC000205997535 |
1 | C27 H26 F2 N2 O | InChI=1S/C27H26F2N2O/c1-4 -25(19-8-6-5-7-9-19)30-27 (32)20-11-13-26-23(14-20) 17(2)18(3)31(26)16-21-10- 12-22(28)15-24(21)29/h5-1 5,25H,4,16H2,1-3H3,(H,30, 32)/t25-/m1/s1; BLRMZPQNLCVHEV-RUZDIDTESA-N |
CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4c cc(cc4F)F)C)C; CC[C@H](c1ccccc1)NC(=O)c2 ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C; CC[C@@ H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c 2c1)c4ccccc4; CC[CH](NC(=O)c1ccc2n(Cc3cc c(F)cc3F)c(C)c(C)c2c1)c4ccccc4; CCC(c1cc ccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc( cc3)F)C |
1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide |
| 21166 | FT8 CHEMBL289556 DB00886 ZINC000003809801 |
8 | C19 H24 N2 O4 S2 | InChI=1S/C19H24N2O4S2/c22 -17(15(26)11-12-5-2-1-3-6 -12)20-13-9-10-27-16-8-4- 7-14(19(24)25)21(16)18(13 )23/h1-3,5-6,13-16,26H,4, 7-11H2,(H,20,22)(H,24,25) /t13-,14-,15-,16-/m0/s1; LVRLSYPNFFBYCZ-VGWMRTNUSA-N |
OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S) Cc3ccccc3)C(=O)N12; c1ccc(cc1)CC(C(=O)NC 2CCSC3CCCC(N3C2=O)C(=O)O)S; OC(=O)[C@@H] 1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3cc ccc3)C(=O)N12; c1ccc(cc1)C[C@@H](C(=O)N[ C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S |
Omapatrilat |
| 21167 | FT9 | 1 | C26 H28 F6 O3 | InChI=1S/C26H28F6O3/c1-3- 19(11-12-20-15-22(33)16-2 3(34)17(20)2)21-10-7-9-18 (14-21)8-5-4-6-13-24(35,2 5(27,28)29)26(30,31)32/h7 ,9-12,14,22-23,33-35H,2-3 ,5,8,13,15-16H2,1H3/b19-1 1+,20-12-/t22-,23+/m1/s1; LEJUFRSKGGKGDS-JRJKOMHBSA-N |
CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#C CC(C(F)(F)F)(C(F)(F)F)O; CCC(=CC=C1C[CH] (O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F )F)C(F)(F)F)c2; CCC(=C\C=C1\C[C@@H](O)C[ C@H](O)C1=C)/c2cccc(CCC#CCC(O)(C(F)(F)F) C(F)(F)F)c2; CC/C(=C\C=C/1\C[C@H](C[C@@H ](C1=C)O)O)/c2cccc(c2)CCC#CCC(C(F)(F)F)( C(F)(F)F)O |
(1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol |
| 21168 | FTA DB04430 ZINC000005939104 |
2 | C16 H13 N7 | InChI=1S/C16H13N7/c17-10- 12(16-20-22-23-21-16)11-1 8-13-6-8-15(9-7-13)19-14- 4-2-1-3-5-14/h1-9,11,18-1 9H,(H,20,21,22,23)/b12-11 -; FLPLCJJGNZGOAW-QXMHVHEDSA-N |
N#CC(=CNc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3; N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3 ; N#C\C(=C\Nc2ccc(Nc1ccccc1)cc2)c3nnnn3; c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH ]nn3; c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)c3n[ nH]nn3 |
3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE |
| 21169 | FTB CHEMBL120708 DB02008 ZINC000015804848 |
1 | C25 H26 F N5 O3 | InChI=1S/C25H26FN5O3/c1-3 -4-13-30-23-22(24(33)31(2 5(30)34)15-18-7-5-6-8-20( 18)26)28-21(29-23)14-17-9 -11-19(12-10-17)27-16(2)3 2/h5-12H,3-4,13-15H2,1-2H 3,(H,27,32)(H,28,29); JHSHXKJSPVHPCJ-UHFFFAOYSA-N |
CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4 ccc(NC(C)=O)cc4)nc13; CCCCN1c2c([nH]c(n2 )Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc 4F; Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4c cc(NC(=O)C)cc4)CCCC |
N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE; 1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE |
| 21170 | FTC DB07797 ZINC000003873315 |
2 | C15 H16 Cl F N4 O S | InChI=1S/C15H16ClFN4OS/c1 -2-22-12-6-8-18-11(14(12) 17)5-7-19-15(23)21-13-4-3 -10(16)9-20-13/h3-4,6,8-9 H,2,5,7H2,1H3,(H2,19,20,2 1,23); VEBKSFPYWMOUBR-UHFFFAOYSA-N |
CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F; S=C (Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F; CCOc1c cnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl |
N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA |
| 21171 | FTD ZINC000103542020 |
1 | C8 H14 F N3 O9 P2 S | InChI=1S/C8H14FN3O9P2S/c9 -4-1-12(8(13)11-7(4)10)5- 3-24-6(20-5)2-19-23(17,18 )21-22(14,15)16/h5-6H,1-3 ,10H2,(H,11,13)(H,17,18)( H2,14,15,16)/t5-,6+/m0/s1; DSUZHKWUVJBGFZ-NTSWFWBYSA-N |
NC1=C(F)CN([C@@H]2CS[C@H](CO[P](O)(=O)O[ P](O)(O)=O)O2)C(=O)N1; NC1=C(F)CN([CH]2C S[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N 1; C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(= C(NC2=O)N)F; C1[C@H](O[C@H](S1)COP(=O)(O )OP(=O)(O)O)N2CC(=C(NC2=O)N)F; O=P(O)(O) OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2 |
[(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate |
| 21172 | FTE CHEMBL309036 ZINC000000164500 |
0 | C7 H5 N S | InChI=1S/C7H5NS/c9-6-8-7- 4-2-1-3-5-7/h1-5H; QKFJKGMPGYROCL-UHFFFAOYSA-N |
c1ccc(cc1)N=C=S; S=C=Nc1ccccc1; S=C=N\c1 ccccc1 |
phenylisothiocyanate; isothiocyanatobenzene |
| 21173 | FTG | 6 | C31 H40 N8 O5 | InChI=1S/C31H40N8O5/c32-2 3(30(43)35-13-12-19-6-9-2 2(40)10-7-19)11-8-21(16-3 4-15-20-4-2-1-3-5-20)14-2 4-26(41)27(42)31(44-24)39 -18-38-25-28(33)36-17-37- 29(25)39/h1-7,9-10,17-18, 21,23-24,26-27,31,34,40-4 2H,8,11-16,32H2,(H,35,43) (H2,33,36,37)/t21-,23-,24 +,26+,27+,31+/m0/s1; BSSHHGWCSNARRG-FRWVVBMCSA-N |
O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O )CNCc4ccccc4)N)NCCc5ccc(cc5)O; c1ccc(cc1 )CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O) N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4 ncnc5N)O)O; N[C@@H](CC[C@H](CNCc1ccccc1) C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N )ncnc34)C(=O)NCCc5ccc(O)cc5; c1ccc(cc1)C NCC(CCC(C(=O)NCCc2ccc(cc2)O)N)CC3C(C(C(O 3)n4cnc5c4ncnc5N)O)O; N[CH](CC[CH](CNCc1 ccccc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c (N)ncnc34)C(=O)NCCc5ccc(O)cc5 |
(2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide; (S)-SKI-72 |
| 21174 | FTH CHEMBL29946 ZINC000013489035 |
1 | C31 H28 N6 O | InChI=1S/C31H28N6O/c1-36- 21-34-19-26(36)15-30(35-1 8-23-11-9-22(16-32)10-12- 23)31(38)37-14-13-25(17-3 3)29(20-37)28-8-4-6-24-5- 2-3-7-27(24)28/h2-12,19,2 1,30,35H,13-15,18,20H2,1H 3/t30-/m0/s1; ADDOXKIOPBTSEG-PMERELPUSA-N |
N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)C(NCc3ccc (C#N)cc3)Cc4cncn4C)CC5; Cn1cncc1C[CH](NC c2ccc(cc2)C#N)C(=O)N3CCC(=C(C3)c4cccc5cc ccc45)C#N; Cn1cncc1C[C@H](NCc2ccc(cc2)C# N)C(=O)N3CCC(=C(C3)c4cccc5ccccc45)C#N; C n1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c 3cccc4)C#N)NCc5ccc(cc5)C#N; Cn1cncc1CC(C (=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5c cc(cc5)C#N |
1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE |
| 21175 | FTI CHEMBL30059 ZINC000013489043 |
1 | C29 H23 N5 O | InChI=1S/C29H23N5O/c30-15 -21-8-10-22(11-9-21)18-34 -20-32-17-25(34)14-29(35) 33-13-12-24(16-31)28(19-3 3)27-7-3-5-23-4-1-2-6-26( 23)27/h1-11,17,20H,12-14, 18-19H2; KXPIURLUHSBSHE-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn 4Cc5ccc(cc5)C#N)C#N; O=C(Cc1cncn1Cc2ccc( cc2)C#N)N3CCC(=C(C3)c4cccc5ccccc45)C#N; N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)Cc3cncn3C c4ccc(C#N)cc4)CC5 |
1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE |
| 21176 | FTJ ZINC000001484896 |
12 | C17 H13 Cl N2 O4 | InChI=1S/C17H13ClN2O4/c1- 10(17(21)22)23-12-3-5-13( 6-4-12)24-16-9-19-15-8-11 (18)2-7-14(15)20-16/h2-10 H,1H3,(H,21,22)/t10-/m1/s 1; ABOOPXYCKNFDNJ-SNVBAGLBSA-N |
C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n 2)Cl; C[CH](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)c c1)C(O)=O; CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3c c(ccc3n2)Cl; OC(=O)C(Oc3ccc(Oc2nc1c(cc(c c1)Cl)nc2)cc3)C; C[C@@H](Oc1ccc(Oc2cnc3c c(Cl)ccc3n2)cc1)C(O)=O |
(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid |
| 21177 | FTK ZINC000103542035 |
2 | C12 H9 F3 O3 | InChI=1S/C12H9F3O3/c13-12 (14,15)11(18)7-9(16)6-10( 17)8-4-2-1-3-5-8/h1-5H,6- 7H2; GWSILFLOKNCPNX-UHFFFAOYSA-N |
FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1; c1ccc (cc1)C(=O)CC(=O)CC(=O)C(F)(F)F; O=C(c1cc ccc1)CC(=O)CC(=O)C(F)(F)F |
6,6,6-trifluoro-1-phenylhexane-1,3,5-trione |
| 21178 | FTL CHEMBL27843 ZINC000013489061 |
1 | C30 H23 N5 | InChI=1S/C30H23N5/c1-34-2 1-33-18-27(34)20-35(19-23 -7-4-6-22(14-23)16-31)26- 13-12-25(17-32)30(15-26)2 9-11-5-9-24-8-2-3-10-28(2 4)29/h2-15,18,21H,19-20H2 ,1H3; IQZCODLAPFPVNS-UHFFFAOYSA-N |
Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4c ccc5c4cccc5)C#N; Cn1cncc1CN(Cc2cccc(c2)C #N)c3ccc(C#N)c(c3)c4cccc5ccccc45; N#Cc5c (c2c1ccccc1ccc2)cc(N(Cc3cccc(C#N)c3)Cc4c ncn4C)cc5 |
4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE |
| 21179 | FTM CHEMBL160811 ZINC000005177774 |
5 | C2 H4 F N O | InChI=1S/C2H4FNO/c3-1-2(4 )5/h1H2,(H2,4,5); FVTWJXMFYOXOKK-UHFFFAOYSA-N |
FCC(=O)N; C(C(=O)N)F; NC(=O)CF | 2-fluoroacetamide |
| 21180 | FTN CHEMBL487185 ZINC000000001479 |
21 | C17 H16 F3 N O2 | InChI=1S/C17H16F3NO2/c1-1 1(2)23-13-7-5-6-12(10-13) 21-16(22)14-8-3-4-9-15(14 )17(18,19)20/h3-11H,1-2H3 ,(H,21,22); PTCGDEVVHUXTMP-UHFFFAOYSA-N |
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1; CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F |
N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide; flutolanil; N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide |
| 21181 | FTO CHEMBL302004 ZINC000026179223 |
2 | C39 H52 N4 O6 | InChI=1S/C39H52N4O6/c1-26 (2)21-33(37(47)41-32(35(4 0)45)24-29-19-13-8-14-20- 29)42-36(46)30(22-27-15-9 -6-10-16-27)25-34(44)31(2 3-28-17-11-7-12-18-28)43- 38(48)49-39(3,4)5/h6-20,2 6,30-34,44H,21-25H2,1-5H3 ,(H2,40,45)(H,41,47)(H,42 ,46)(H,43,48)/t30-,31+,32 +,33+,34-/m1/s1; MURCDOXDAHPNRQ-ZJKZPDEISA-N |
CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C (Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C) C)O; CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O) [C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc 2)C(=O)N[C@@H](Cc3ccccc3)C(N)=O; CC(C)C[ C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(= O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3 )NC(=O)OC(C)(C)C)O; CC(C)C[CH](NC(=O)[CH ](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C )Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O |
~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate; L-685,458 |
| 21182 | FTP DB02254 |
2 | C12 H13 F3 N4 O4 P S | InChI=1S/C12H14F3N4O4PS/c 1-7-9(2-3-23-24(20,21)22) 25-6-19(7)5-8-4-17-11(12( 13,14)15)18-10(8)16/h4,6H ,2-3,5H2,1H3,(H3-,16,17,1 8,20,21,22)/p-1; ZIBIECXVPMYJCV-UHFFFAOYSA-M |
Cc1c(CCO[P]([O-])([O-])=O)sc[n+]1Cc2cnc( nc2N)C(F)(F)F; FC(F)(F)c1nc(c(cn1)C[n+]2 c(c(sc2)CCOP([O-])([O-])=O)C)N; Cc1c(sc[ n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[ O-] |
3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM; TRIFLUORO-THIAMIN PHOSPHATE |
| 21183 | FTQ | 0 | C16 H28 Au N4 | InChI=1S/2C8H14N2.Au/c2*1 -3-4-5-10-7-6-9(2)8-10;/h 2*6-7H,3-5H2,1-2H3;/q2*+1 ;; DHOATHUNKSQARV-UHFFFAOYSA-N |
CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C; CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C |
bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold |
| 21184 | FTR CHEMBL559973 DB03314 ZINC000000057156 |
0 | C11 H11 F N2 O2 | InChI=1S/C11H11FN2O2/c12- 7-1-2-10-8(4-7)6(5-14-10) 3-9(13)11(15)16/h1-2,4-5, 9,14H,3,13H2,(H,15,16)/t9 -/m0/s1; INPQIVHQSQUEAJ-VIFPVBQESA-N |
O=C(O)C(N)Cc2c1cc(F)ccc1nc2; N[CH](Cc1c[ nH]c2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[ nH]2)C[C@@H](C(=O)O)N; N[C@@H](Cc1c[nH]c 2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[nH]2 )CC(C(=O)O)N |
FLUOROTRYPTOPHANE |
| 21185 | FTS CHEMBL177101 DB07798 ZINC000013581899 |
2 | C13 H16 F4 N2 O2 S | InChI=1S/C13H16F4N2O2S/c1 4-7-11-5-9-1-2-12(6-10(9) 8-18-11)22(20,21)19-4-3-1 3(15,16)17/h1-2,6,11,18-1 9H,3-5,7-8H2/t11-/m1/s1; BBUDQLKRZPRPFD-LLVKDONJSA-N |
FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F) (F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC (C2)CF; c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC( F)(F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)C N[C@H](C2)CF; FC[CH]1Cc2ccc(cc2CN1)[S](= O)(=O)NCCC(F)(F)F |
(3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE; 3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE |
| 21186 | FTT CHEMBL1232858 DB02767 ZINC000002039069 |
0 | C14 H28 O3 | InChI=1S/C14H28O3/c1-2-3- 4-5-6-7-8-9-10-11-13(15)1 2-14(16)17/h13,15H,2-12H2 ,1H3,(H,16,17)/t13-/m1/s1; ATRNZOYKSNPPBF-CYBMUJFWSA-N |
CCCCCCCCCCC[C@@H](O)CC(O)=O; CCCCCCCCCCC [CH](O)CC(O)=O; CCCCCCCCCCCC(CC(=O)O)O; CCCCCCCCCCC[C@H](CC(=O)O)O; O=C(O)CC(O)C CCCCCCCCCC |
3-HYDROXY-TETRADECANOIC ACID; 3-HYDROXY-MYRISTIC ACID |
| 21187 | FTU CHEMBL4587788 ZINC000034441457 |
1 | C11 H13 F N4 O4 | InChI=1S/C11H13FN4O4/c12- 4-1-16(10-6(4)9(13)14-3-1 5-10)11-8(19)7(18)5(2-17) 20-11/h1,3,5,7-8,11,17-19 H,2H2,(H2,13,14,15)/t5-,7 -,8-,11-/m1/s1; KRRZKBNCONNKPI-IOSLPCCCSA-N |
c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)F; c1 c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O 3)CO)O)O)N)F; Nc1ncnc2n(cc(F)c12)[C@@H]3 O[C@H](CO)[C@@H](O)[C@H]3O; Nc1ncnc2n(cc (F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O |
5-fluorotubercidin |
| 21188 | FTV CHEMBL2252703 ZINC000000056614 |
5 | C9 H8 Cl2 O3 | InChI=1S/C9H8Cl2O3/c1-5(9 (12)13)14-8-3-2-6(10)4-7( 8)11/h2-5H,1H3,(H,12,13)/ t5-/m1/s1; MZHCENGPTKEIGP-RXMQYKEDSA-N |
CC(C(=O)O)Oc1ccc(cc1Cl)Cl; C[C@@H](Oc1cc c(Cl)cc1Cl)C(O)=O; C[C@H](C(=O)O)Oc1ccc( cc1Cl)Cl; Clc1c(ccc(c1)Cl)OC(C)C(O)=O; C [CH](Oc1ccc(Cl)cc1Cl)C(O)=O |
(2R)-2-(2,4-dichlorophenoxy)propanoic acid |
| 21189 | FTW CHEMBL4548156 |
1 | C36 H41 N5 O3 | InChI=1S/C36H41N5O3/c1-36 (2,24-42)38-18-20-41-32-1 7-19-40(22-27-15-16-33(44 -3)30-14-7-6-13-29(27)30) 23-31(32)34(39-41)35(43)3 7-21-26-11-8-10-25-9-4-5- 12-28(25)26/h4-16,38,42H, 17-24H2,1-3H3,(H,37,43); MZJWSMMILGDGIP-UHFFFAOYSA-N |
COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NC c4cccc5ccccc45)c3C2)c6ccccc16; CC(C)(CO) NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(C C2)Cc5ccc(c6c5cccc6)OC |
5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide |
| 21190 | FTX CHEMBL4848137 |
2 | C21 H21 Cl N2 O3 | InChI=1S/C21H21ClN2O3/c1- 26-19-9-13-6-7-24(12-25)1 8(16(13)10-20(19)27-2)8-1 4-11-23-21-15(14)4-3-5-17 (21)22/h3-5,9-12,18,23H,6 -8H2,1-2H3/t18-/m0/s1; FTUNSSCAXJNFIZ-SFHVURJKSA-N |
COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH] c4c3cccc4Cl; COc1cc2c(cc1OC)C(N(CC2)C=O) Cc3c[nH]c4c3cccc4Cl; COc1cc2CCN(C=O)[CH] (Cc3c[nH]c4c(Cl)cccc34)c2cc1OC; COc1cc2C CN(C=O)[C@@H](Cc3c[nH]c4c(Cl)cccc34)c2cc 1OC |
(1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde |
| 21191 | FTY CHEMBL1232859 ZINC000008378980 |
0 | C10 H12 F2 N O5 P | InChI=1S/C10H12F2NO5P/c11 -10(12,19(16,17)18)7-3-1- 6(2-4-7)5-8(13)9(14)15/h1 -4,8H,5,13H2,(H,14,15)(H2 ,16,17,18)/t8-/m0/s1; HRDUMKHDIFUQGB-QMMMGPOBSA-N |
N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C( O)=O; c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)( O)O; c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P( =O)(O)O; N[CH](Cc1ccc(cc1)C(F)(F)[P](O)( O)=O)C(O)=O; FC(F)(c1ccc(cc1)CC(N)C(=O)O )P(=O)(O)O |
DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE |
| 21192 | FTZ CHEMBL1354522 |
1 | C13 H10 Cl F N4 O | InChI=1S/C13H10ClFN4O/c14 -9-3-1-4-10(15)8(9)7-16-1 3-17-12(18-19-13)11-5-2-6 -20-11/h1-6H,7H2,(H2,16,1 7,18,19); AHOHWELPUXLPOF-UHFFFAOYSA-N |
c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F; Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3; Fc1c ccc(Cl)c1CNc2nc(nn2)c3occc3 |
N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine |
| 21193 | FU0 ZINC000098208905 |
1 | C7 H8 O4 | InChI=1S/C7H8O4/c8-7(9)11 -5-3-6-2-1-4-10-6/h1-2,4H ,3,5H2,(H,8,9); SFUJACCQACPZEZ-UHFFFAOYSA-N |
OC(=O)OCCc1occc1; c1cc(oc1)CCOC(=O)O; O= C(OCCc1occc1)O |
2-(furan-2-yl)ethyl hydrogen carbonate |
| 21194 | FU1 CHEMBL276521 ZINC000003593622 |
2 | C4 H8 O | InChI=1S/C4H8O/c1-2-4-5-3 -1/h1-4H2; WYURNTSHIVDZCO-UHFFFAOYSA-N |
O1CCCC1; C1CCOC1 | tetrahydrofuran |
| 21195 | FU2 CHEMBL189362 DB16856 ZINC000003861345 |
19 | C5 H4 O2 | InChI=1S/C5H4O2/c6-4-5-2- 1-3-7-5/h1-4H; HYBBIBNJHNGZAN-UHFFFAOYSA-N |
c1cc(oc1)C=O; O=Cc1occc1 | FURFURAL |
| 21196 | FU3 CHEMBL1738803 ZINC000043197651 |
2 | C21 H22 Cl2 F3 N5 O2 | InChI=1S/C21H22Cl2F3N5O2/ c22-11-7-14(23)17(16(8-11 )33-6-2-5-21(24,25)26)18- 13-9-31(10-15(13)29-19(27 )30-18)20(32)28-12-3-1-4- 12/h7-8,12H,1-6,9-10H2,(H ,28,32)(H2,27,29,30); OQTGWGQVJCWDDT-UHFFFAOYSA-N |
FC(F)(F)CCCOc4cc(Cl)cc(Cl)c4c1nc(nc3c1CN (C(=O)NC2CCC2)C3)N; Nc1nc2CN(Cc2c(n1)c3c (Cl)cc(Cl)cc3OCCCC(F)(F)F)C(=O)NC4CCC4; c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN (C3)C(=O)NC4CCC4)Cl)Cl |
2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide |
| 21197 | FU4 | 0 | C6 H12 O4 | InChI=1S/C6H12O4/c1-3-5(8 )6(9)4(7)2-10-3/h3-9H,2H2 ,1H3/t3-,4+,5+,6-/m0/s1; KBVSUNBCTPQWJL-KCDKBNATSA-N |
C[CH]1OC[CH](O)[CH](O)[CH]1O; CC1C(C(C(C O1)O)O)O; C[C@H]1[C@H]([C@H]([C@@H](CO1) O)O)O; OC1C(OCC(O)C1O)C; C[C@@H]1OC[C@@H ](O)[C@H](O)[C@@H]1O |
2,6-ANHYDRO-1-DEOXY-D-GALACTITOL |
| 21198 | FU5 CHEMBL1738804 ZINC000066156457 |
2 | C15 H15 Cl F3 N3 O | InChI=1S/C15H15ClF3N3O/c1 -9-8-11(22-14(20)21-9)13- 10(16)4-2-5-12(13)23-7-3- 6-15(17,18)19/h2,4-5,8H,3 ,6-7H2,1H3,(H2,20,21,22); SHQYMCWXQPPEMC-UHFFFAOYSA-N |
Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F; Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F; FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N |
4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine |
| 21199 | FU6 CHEMBL4764965 |
1 | C20 H16 N4 O2 | InChI=1S/C20H16N4O2/c1-3- 9-21-20(26)14-10-13(11-15 (12-14)22-18(25)4-2)19-16 -7-5-6-8-17(16)23-24-19/h 1,4-8,10-12H,2,9H2,(H,21, 26)(H,22,25)(H,23,24); QLVGPPRZJNJOLD-UHFFFAOYSA-N |
C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(= O)NCC#C; C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C) c2c3ccccc3[nH]n2 |
3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide |
| 21200 | FU7 CHEMBL1738805 ZINC000066165974 |
2 | C21 H21 Cl2 F2 N7 O2 | InChI=1S/C21H21Cl2F2N7O2/ c1-21(24,25)11-27-20(33)3 1-9-13-15(10-31)29-19(26) 30-18(13)17-14(23)7-12(22 )8-16(17)34-6-5-32-4-2-3- 28-32/h2-4,7-8H,5-6,9-11H 2,1H3,(H,27,33)(H2,26,29, 30); RIVRSBWWXQQZLY-UHFFFAOYSA-N |
CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)c3c(Cl) cc(Cl)cc3OCCn4cccn4; FC(F)(C)CNC(=O)N4Cc 1c(nc(nc1c3c(OCCn2nccc2)cc(Cl)cc3Cl)N)C4 ; CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl )OCCn4cccn4)N)C1)(F)F |
2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide |