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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 32201 |  LI4 CHEMBL195393 DB08093 |
1 | C16 H14 N2 O | InChI=1S/C16H14N2O/c17-16 -15(9-4-10-18-16)19-11-13 -7-3-6-12-5-1-2-8-14(12)1 3/h1-10H,11H2,(H2,17,18); SZANYTFSQVBOBA-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2COc3cccnc3N; Nc1ncccc1OC c2cccc3ccccc23; O(c1cccnc1N)Cc3c2ccccc2c cc3 |
3-(1-NAPHTHYLMETHOXY)PYRIDIN-2-AMINE |
| 32202 |  LI5 ZINC000058650597 |
2 | C7 H13 O6 P | InChI=1S/C7H13O6P/c1-2-6( 9)7(10)3-5(8)4-13-14(11)1 2/h5,8,14H,2-4H2,1H3,(H,1 1,12)/t5-/m1/s1; PYYIHKXJWNSAKF-RXMQYKEDSA-N |
CCC(=O)C(=O)C[C@H](CO[P@H](=O)O)O; CCC(= O)C(=O)C[C@@H](O)CO[P@@H](O)=O; O=P(O)OC C(O)CC(=O)C(=O)CC; CCC(=O)C(=O)CC(COP(=O )O)O; CCC(=O)C(=O)C[CH](O)CO[PH](O)=O |
2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE |
| 32203 |  LI6 DB01754 ZINC000100031141 |
1 | C10 H9 N O3 | InChI=1S/C10H9NO3/c1-11-7 -5-3-2-4-6(7)8(12)9(13)10 (11)14/h2-5,12-13H,1H3; BDLJEQMXDNMETQ-UHFFFAOYSA-N |
CN1C(=O)C(=C(O)c2ccccc12)O; O=C2C(O)=C(O )c1c(cccc1)N2C; CN1c2ccccc2C(=C(C1=O)O)O |
3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE |
| 32204 |  LI7 DB03650 ZINC000018137759 |
1 | C14 H10 N2 O2 | InChI=1S/C14H10N2O2/c17-1 0-7-5-9(6-8-10)15-13-11-3 -1-2-4-12(11)16-14(13)18/ h1-8,17H,(H,15,16,18); ZJASRZFZRYISET-UHFFFAOYSA-N |
O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3; c1ccc2 c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2; Oc1ccc( cc1)N=C2C(=O)Nc3ccccc23; c1ccc2c(c1)C(=N c3ccc(cc3)O)C(=O)N2 |
(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE |
| 32205 |  LI8 CHEMBL573108 ZINC000003986667 |
1 | C23 H31 Br N8 O3 | InChI=1S/C23H31BrN8O3/c1- 23(2,19(25)33)20(34)27-10 -6-9-26-18-17(24)14-28-21 (31-18)29-15-7-5-8-16(13- 15)30-22(35)32-11-3-4-12- 32/h5,7-8,13-14H,3-4,6,9- 12H2,1-2H3,(H2,25,33)(H,2 7,34)(H,30,35)(H2,26,28,2 9,31); ZNSULAZTNWFKEW-UHFFFAOYSA-N |
O=C(Nc2cccc(Nc1nc(NCCCNC(=O)C(C(=O)N)(C) C)c(Br)cn1)c2)N3CCCC3; CC(C)(C(=O)N)C(=O )NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC 3)Br; CC(C)(C(N)=O)C(=O)NCCCNc1nc(Nc2ccc c(NC(=O)N3CCCC3)c2)ncc1Br |
N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE |
| 32206 |  LI9 CHEMBL1184822 ZINC000012153011 |
1 | C27 H29 F N6 O | InChI=1S/C27H29FN6O/c1-18 (19-6-4-3-5-7-19)31-27-30 -17-14-23(32-27)25-24(20- 8-10-21(28)11-9-20)26(35) 34(33(25)2)22-12-15-29-16 -13-22/h3-11,14,17-18,22, 29H,12-13,15-16H2,1-2H3,( H,30,31,32)/t18-/m0/s1; OYTOWRNFVUUVHK-SFHVURJKSA-N |
C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N( N3C)C4CCNCC4)c5ccc(cc5)F; C[C@H](Nc1nccc (n1)C2=C(C(=O)N(C3CCNCC3)N2C)c4ccc(F)cc4 )c5ccccc5; CC(c1ccccc1)Nc2nccc(n2)C3=C(C (=O)N(N3C)C4CCNCC4)c5ccc(cc5)F; C[CH](Nc 1nccc(n1)C2=C(C(=O)N(C3CCNCC3)N2C)c4ccc( F)cc4)c5ccccc5; Fc1ccc(cc1)C2=C(N(N(C2=O )C3CCNCC3)C)c4nc(ncc4)NC(c5ccccc5)C |
4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE |
| 32207 |  LIA CHEMBL384304 DB08094 ZINC000013983251 |
1 | C18 H21 F2 N5 O4 S | InChI=1S/C18H21F2N5O4S/c1 -29-13-4-3-12(19)15(20)14 (13)16(26)11-9-22-18(24-1 7(11)21)23-10-5-7-25(8-6- 10)30(2,27)28/h3-4,9-10H, 5-8H2,1-2H3,(H3,21,22,23, 24); JRNJNYBQQYBCLE-UHFFFAOYSA-N |
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S (=O)(=O)C)F)F; COc1ccc(F)c(F)c1C(=O)c2cn c(NC3CCN(CC3)[S](C)(=O)=O)nc2N; O=S(=O)( N3CCC(Nc2nc(N)c(C(=O)c1c(F)c(F)ccc1OC)cn 2)CC3)C |
(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-DIFLUORO-6-METHOXYPHENYL)METHANONE |
| 32208 |  LIB CHEMBL379760 DB08095 ZINC000016052060 |
1 | C23 H26 Cl N5 O3 | InChI=1S/C23H26ClN5O3/c1- 15(23(2,3)31)26-21-25-14- 13-20(28-21)29(16-9-11-17 (32-4)12-10-16)22(30)27-1 9-8-6-5-7-18(19)24/h5-15, 31H,1-4H3,(H,27,30)(H,25, 26,28)/t15-/m0/s1; ZWYFTKPEHRQCCW-HNNXBMFYSA-N |
COc1ccc(cc1)N(C(=O)Nc2ccccc2Cl)c3ccnc(N[ CH](C)C(C)(C)O)n3; CC(C(C)(C)O)Nc1nccc(n 1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl; COc1c cc(cc1)N(C(=O)Nc2ccccc2Cl)c3ccnc(N[C@@H] (C)C(C)(C)O)n3; Clc1ccccc1NC(=O)N(c2nc(n cc2)NC(C(O)(C)C)C)c3ccc(OC)cc3; C[C@@H]( C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O) Nc3ccccc3Cl |
3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA; 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| 32209 |  LIC CHEMBL208963 ZINC000013985996 |
1 | C24 H28 Cl N5 O3 | InChI=1S/C24H28ClN5O3/c1- 16(24(2,3)32)28-22-26-14- 13-21(29-22)30(18-9-11-19 (33-4)12-10-18)23(31)27-1 5-17-7-5-6-8-20(17)25/h5- 14,16,32H,15H2,1-4H3,(H,2 7,31)(H,26,28,29)/t16-/m0 /s1; ZHBOBAJCKHPQBT-INIZCTEOSA-N |
CC(C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C( =O)NCc3ccccc3Cl; COc1ccc(cc1)N(C(=O)NCc2 ccccc2Cl)c3ccnc(N[CH](C)C(C)(C)O)n3; Clc 1ccccc1CNC(=O)N(c2nc(ncc2)NC(C(O)(C)C)C) c3ccc(OC)cc3; C[C@@H](C(C)(C)O)Nc1nccc(n 1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl; COc1 ccc(cc1)N(C(=O)NCc2ccccc2Cl)c3ccnc(N[C@@ H](C)C(C)(C)O)n3 |
3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA; 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| 32210 |  LID CHEMBL425616 DB08096 ZINC000016052082 |
1 | C19 H15 Cl F2 N6 | InChI=1S/C19H15ClF2N6/c1- 2-28-17-15(25-19(28)24-14 -9-4-3-6-11(14)20)10-23-1 8(27-17)26-16-12(21)7-5-8 -13(16)22/h3-10H,2H2,1H3, (H,24,25)(H,23,26,27); ZWKOUFZHPNIQSH-UHFFFAOYSA-N |
CCn1c(Nc2ccccc2Cl)nc3cnc(Nc4c(F)cccc4F)n c13; Fc1cccc(F)c1Nc2ncc3nc(n(c3n2)CC)Nc4 ccccc4Cl; CCn1c2c(cnc(n2)Nc3c(cccc3F)F)n c1Nc4ccccc4Cl |
8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM; 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| 32211 |  LIE CHEMBL380373 DB08097 ZINC000016052083 |
1 | C20 H16 F3 N5 O | InChI=1S/C20H16F3N5O/c1-1 1(2)28-18-16(26-19(28)25- 15-9-4-3-6-12(15)21)10-24 -20(27-18)29-17-13(22)7-5 -8-14(17)23/h3-11H,1-2H3, (H,25,26); OGWSGDLIXOEZJG-UHFFFAOYSA-N |
CC(C)n1c(Nc2ccccc2F)nc3cnc(Oc4c(F)cccc4F )nc13; Fc4cccc(F)c4Oc1ncc2nc(n(c2n1)C(C) C)Nc3ccccc3F; CC(C)n1c2c(cnc(n2)Oc3c(ccc c3F)F)nc1Nc4ccccc4F |
2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE |
| 32212 |  LIF CHEMBL194911 DB04727 ZINC000003988862 |
1 | C27 H19 F4 N5 O3 | InChI=1S/C27H19F4N5O3/c1- 38-18-9-4-15(5-10-18)23-2 1(22-24(32)33-13-34-25(22 )39-23)14-2-7-17(8-3-14)3 5-26(37)36-20-12-16(27(29 ,30)31)6-11-19(20)28/h2-1 3H,1H3,(H2,32,33,34)(H2,3 5,36,37); FGZIONRFHVNRJB-UHFFFAOYSA-N |
COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4) NC(=O)Nc5cc(ccc5F)C(F)(F)F; FC(F)(F)c1cc (c(F)cc1)NC(=O)Nc5ccc(c2c4c(ncnc4oc2c3cc c(OC)cc3)N)cc5; COc1ccc(cc1)c2oc3ncnc(N) c3c2c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4 |
N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA; N-(4-{4-AMINO-6-[4-(METHYLOXY)PHENYL]FURO[2,3-D]PYRIMIDIN-5-YL}PHENYL)-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA |
| 32213 |  LIG CHEMBL1234009 DB03490 |
0 | C15 H11 N3 | InChI=1S/C15H11N3/c1-2-4- 12-11(3-1)9-13-14(17-18-1 5(12)13)10-5-7-16-8-6-10/ h1-8H,9H2,(H,17,18); NHOACLCXCKJMAK-UHFFFAOYSA-N |
C1c2ccccc2c3n[nH]c(c13)c4ccncc4; c1ccc-2 c(c1)Cc3c2n[nH]c3c4ccncc4; n4ccc(c1c3c(n n1)c2ccccc2C3)cc4 |
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE |
| 32214 |  LIH CHEMBL151958 DB03351 ZINC000012503486 |
1 | C18 H17 N7 | InChI=1S/C18H17N7/c1-10-1 1(9-23-17-15(10)16(19)24- 18(20)25-17)8-22-14-6-2-5 -13-12(14)4-3-7-21-13/h2- 7,9,22H,8H2,1H3,(H4,19,20 ,23,24,25); KMSATRJZEXNGDP-UHFFFAOYSA-N |
Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4; n1cc(c(c2c1nc(nc2N)N)C)CNc4c3cccnc3ccc4 ; Cc1c(CNc2cccc3ncccc23)cnc4nc(N)nc(N)c1 4 |
6-([5-QUINOLYLAMINO]METHYL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE; SRI-9439 |
| 32215 |  LII DB03060 ZINC000005891398 |
1 | C18 H19 N5 O2 | InChI=1S/C18H19N5O2/c1-10 -12(9-21-17-15(10)16(19)2 2-18(20)23-17)5-4-11-8-13 (24-2)6-7-14(11)25-3/h4-9 H,1-3H3,(H4,19,20,21,22,2 3)/b5-4-; WNDJHUNKXPAREB-PLNGDYQASA-N |
Cc1c(cnc2c1c(nc(n2)N)N)\C=C/c3cc(ccc3OC) OC; n1cc(c(c2c1nc(nc2N)N)C)/C=C\c3cc(OC) ccc3OC; Cc1c(cnc2c1c(nc(n2)N)N)C=Cc3cc(c cc3OC)OC; COc1ccc(OC)c(C=Cc2cnc3nc(N)nc( N)c3c2C)c1; COc1ccc(OC)c(\C=C/c2cnc3nc(N )nc(N)c3c2C)c1 |
(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE; SRI-9662 |
| 32216 |  LIJ ZINC000024813442 |
3 | C36 H49 N3 O7 S | InChI=1S/C36H49N3O7S/c1-4 -13-31(14-5-2)47(43,44)26 -33(39-36(42)46-25-28-17- 10-7-11-18-28)35(41)38-32 (22-27-15-8-6-9-16-27)34( 40)24-37-23-29-19-12-20-3 0(21-29)45-3/h6-12,15-21, 31-34,37,40H,4-5,13-14,22 -26H2,1-3H3,(H,38,41)(H,3 9,42)/t32-,33+,34+/m0/s1; FJYALDRNDKNYKU-LBFZIJHGSA-N |
CCCC(CCC)S(=O)(=O)CC(C(=O)NC(Cc1ccccc1)C (CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3; CCC C(CCC)[S](=O)(=O)C[CH](NC(=O)OCc1ccccc1) C(=O)N[CH](Cc2ccccc2)[CH](O)CNCc3cccc(OC )c3; CCCC(CCC)[S](=O)(=O)C[C@@H](NC(=O)O Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O )CNCc3cccc(OC)c3; O=S(=O)(C(CCC)CCC)CC(N C(=O)OCc1ccccc1)C(=O)NC(Cc2ccccc2)C(O)CN Cc3cc(OC)ccc3; CCCC(CCC)S(=O)(=O)C[C@H]( C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc( c2)OC)O)NC(=O)OCc3ccccc3 |
BENZYL [(1S)-2-({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE |
| 32217 |  LIK ZINC000016052130 |
1 | C12 H20 O2 | InChI=1S/C12H20O2/c1-4-5- 6-10(2)7-8-11(3)9-12(13)1 4/h2-9H2,1H3,(H,13,14); YOHXQMVSYCADHX-UHFFFAOYSA-N |
CCCCC(=C)CCC(=C)CC(O)=O; O=C(O)CC(=C)\CC /C(=C)CCCC; CCCCC(=C)CCC(=C)CC(=O)O |
3,6-BIS(METHYLENE)DECANOIC ACID |
| 32218 |  LIL DB01814 ZINC000014880077 |
4 | C28 H54 O4 | InChI=1S/C28H54O4/c1-3-5- 7-9-11-13-15-17-19-21-23- 26(25-27(29)30)32-28(31)2 4-22-20-18-16-14-12-10-8- 6-4-2/h26H,3-25H2,1-2H3,( H,29,30)/t26-/m0/s1; WLKQLKMXKFGMQI-SANMLTNESA-N |
CCCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCCC CCCCC; O=C(O)CC(OC(=O)CCCCCCCCCCCC)CCCCC CCCCCCC; CCCCCCCCCCCC[CH](CC(O)=O)OC(=O) CCCCCCCCCCCC; CCCCCCCCCCCCC(CC(=O)O)OC(= O)CCCCCCCCCCCC; CCCCCCCCCCCC[C@@H](CC(=O )O)OC(=O)CCCCCCCCCCCC |
2-TRIDECANOYLOXY-PENTADECANOIC ACID |
| 32219 |  LIM DB04039 ZINC000014881012 |
4 | C15 H28 O3 | InChI=1S/C15H28O3/c1-2-3- 4-5-6-7-8-9-10-11-12-14(1 6)13-15(17)18/h2-13H2,1H3 ,(H,17,18); CJTNJZWHYGHVCD-UHFFFAOYSA-N |
O=C(CCCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCCC( =O)CC(O)=O; CCCCCCCCCCCCC(=O)CC(=O)O |
3-OXO-PENTADECANOIC ACID |
| 32220 |  LIN CHEMBL1230762 DB01762 |
0 | C4 H6 O3 | InChI=1/C4H6O3/c1-3(5)2-4 (6)7/h2H2,1H3,(H,6,7)/f/h 6H; WDJHALXBUFZDSR-BRMMOCHJCT |
CC(=O)CC(=O)O; O=C(C)CC(=O)O; CC(=O)CC(O )=O |
3-OXO-BUTYRIC ACID |
| 32221 |  LIO ZINC000015493930 |
0 | C33 H67 N O8 P | InChI=1S/C33H66NO8P/c1-6- 8-10-12-14-15-16-17-18-20 -21-23-25-32(35)39-29-31( 30-41-43(37,38)40-28-27-3 4(3,4)5)42-33(36)26-24-22 -19-13-11-9-7-2/h31H,6-30 H2,1-5H3/p+1/t31-/m1/s1; YAOVLDDMIGILIT-WJOKGBTCSA-O |
CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O) OCC[N+](C)(C)C)OC(=O)CCCCCCCCC; CCCCCCCC CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C) OC(=O)CCCCCCCCC; CCCCCCCCCCCCCCC(=O)OC[C @H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)C CCCCCCCC; CCCCCCCCCCCCCCC(=O)OC[CH](CO[P ](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC; O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)C CCCCCCCCCCCCC)CCCCCCCCC |
[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE |
| 32222 |  LIP DB03542 |
6 | C6 H11 O9 P | InChI=1S/C6H13O9P/c7-1-2( 8)4(10)6(5(11)3(1)9)15-16 (12,13)14/h1-11H,(H2,12,1 3,14)/p-2/t1-,2-,3+,4-,5- ,6-/m0/s1; INAPMGSXUVUWAF-PTQMNWPWSA-L |
[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP( =O)([O-])[O-])O)O; O[C@@H]1[C@@H](O)[C@H ](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[ C@H]1O; O=P([O-])([O-])OC1C(O)C(O)C(O)C( O)C1O; C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-] )O)O)O; O[CH]1[CH](O)[CH](O)[CH](O[P]([O -])([O-])=O)[CH](O)[CH]1O |
L-MYO-INOSITOL-1-PHOSPHATE |
| 32223 |  LIQ ZINC000024814419 |
1 | C33 H42 F2 N4 O5 S | InChI=1S/C33H42F2N4O5S/c1 -3-5-6-13-45(43,44)22-30( 39-32(41)26-11-8-12-36-20 -26)33(42)38-29(17-25-15- 27(34)18-28(35)16-25)31(4 0)21-37-19-24-10-7-9-23(4 -2)14-24/h7-12,14-16,18,2 0,29-31,37,40H,3-6,13,17, 19,21-22H2,1-2H3,(H,38,42 )(H,39,41)/t29-,30+,31+/m 0/s1; IOTPZWJUHSYLHJ-OJDZSJEKSA-N |
CCCCC[S](=O)(=O)C[CH](NC(=O)c1cccnc1)C(= O)N[CH](Cc2cc(F)cc(F)c2)[CH](O)CNCc3cccc (CC)c3; O=C(NC(C(=O)NC(Cc1cc(F)cc(F)c1)C (O)CNCc2cccc(c2)CC)CS(=O)(=O)CCCCC)c3ccc nc3; CCCCCS(=O)(=O)CC(C(=O)NC(Cc1cc(cc(c 1)F)F)C(CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3 ; CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1c c(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC( =O)c3cccnc3; CCCCC[S](=O)(=O)C[C@@H](NC( =O)c1cccnc1)C(=O)N[C@@H](Cc2cc(F)cc(F)c2 )[C@H](O)CNCc3cccc(CC)c3 |
N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)-3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)-2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE |
| 32224 |  LIR ZINC000103548516 |
1 | C19 H21 N6 O2 | InChI=1S/C19H20N6O2/c1-23 -17(26)15-16(18(23)27)25( 10-13-6-3-2-5-12(13)9-20) 19(22-15)24-8-4-7-14(21)1 1-24/h2-3,5-6,14H,4,7-8,1 0-11,21H2,1H3/p+1/t14-/m0 /s1; WVRGIUWTFUXDGX-AWEZNQCLSA-O |
CN1C(=O)c2c([n+](c([nH]2)N3CCCC(C3)N)Cc4 ccccc4C#N)C1=O; N#Cc1ccccc1C[n+]2c(nc3c2 C(=O)N(C3=O)C)N4CCCC(N)C4; CN1C(=O)c2[nH ]c(N3CCC[CH](N)C3)[n+](Cc4ccccc4C#N)c2C1 =O; CN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H] (C3)N)Cc4ccccc4C#N)C1=O; CN1C(=O)c2[nH]c (N3CCC[C@H](N)C3)[n+](Cc4ccccc4C#N)c2C1= O |
2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM |
| 32225 |  LIS DB03191 |
0 | C5 H9 N O3 | InChI=1S/C5H9NO3/c6-4(5(7 )8)1-3-2-9-3/h3-4H,1-2,6H 2,(H,7,8)/t3-,4-/m0/s1; HKPCHCJYQVJLIZ-IMJSIDKUSA-N |
O=C(O)C(N)CC1OC1; C1[C@@H](O1)C[C@@H](C( =O)O)N; N[CH](C[CH]1CO1)C(O)=O; N[C@@H]( C[C@H]1CO1)C(O)=O; C1C(O1)CC(C(=O)O)N |
(2S,4S)-2-AMINO-4,5-EPOXIPENTANOIC ACID; 3-OXIRAN-2YLALANINE |
| 32226 |  LIT DB08098 |
1 | C8 H5 N3 O6 S | InChI=1S/C8H5N3O6S/c12-6( 13)3-18-8-10-9-7(17-8)4-1 -2-5(16-4)11(14)15/h1-2H, 3H2,(H,12,13); ITBNJCVIFHSKRL-UHFFFAOYSA-N |
c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]; OC(=O)CSc1oc(nn1)c2oc(cc2)[N+]([O-])=O; O=C(O)CSc1nnc(o1)c2oc([N+]([O-])=O)cc2 |
{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID |
| 32227 |  LIU CHEMBL387141 ZINC000036161296 |
1 | C30 H36 N4 O5 S2 | InChI=1S/C30H36N4O5S2/c1- 29(2)16-18-33(19-17-29)23 -12-10-22(11-13-23)28(35) 32-41(38,39)25-14-15-26(2 7(20-25)34(36)37)31-30(3, 4)21-40-24-8-6-5-7-9-24/h 5-15,20,31H,16-19,21H2,1- 4H3,(H,32,35); FQHHQKOASLDQEQ-UHFFFAOYSA-N |
CC1(CCN(CC1)c2ccc(cc2)C(=O)NS(=O)(=O)c3c cc(c(c3)[N+](=O)[O-])NC(C)(C)CSc4ccccc4) C; CC1(C)CCN(CC1)c2ccc(cc2)C(=O)N[S](=O) (=O)c3ccc(NC(C)(C)CSc4ccccc4)c(c3)[N+]([ O-])=O; [O-][N+](=O)c2cc(ccc2NC(C)(C)CSc 1ccccc1)S(=O)(=O)NC(=O)c3ccc(cc3)N4CCC(C C4)(C)C |
N-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-3-nitrophenyl)sulfonyl]-4-(4,4-dimethylpiperidin-1-yl)benzamide |
| 32228 |  LIV CHEMBL389029 DB04728 ZINC000253673980 |
1 | C29 H55 N5 O18 | InChI=1S/C29H55N5O18/c30- 3-11-23(51-28-20(43)19(42 )17(40)13(5-36)47-28)18(4 1)15(34)27(45-11)50-24-14 (6-37)48-29(21(24)44)52-2 5-16(39)7(31)1-8(32)22(25 )49-26-9(33)2-10(38)12(4- 35)46-26/h7-29,35-44H,1-6 ,30-34H2/t7-,8+,9-,10+,11 +,12-,13-,14-,15-,16+,17- ,18-,19+,20+,21-,22-,23-, 24-,25-,26-,27-,28-,29+/m 1/s1; DBLVDAUGBTYDFR-SWMBIRFSSA-N |
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@ @H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H ]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@ H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@ H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O) O)N; C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)O C3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C( C(O5)CO)O)O)O)O)N)O)O)N; NC[C@@H]1O[C@H] (O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@ H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H ]4O[C@H](CO)[C@@H](O)C[C@H]4N)[C@H](N)[C @@H](O)[C@@H]1O[C@H]5O[C@H](CO)[C@@H](O) [C@H](O)[C@@H]5O; NC[CH]1O[CH](O[CH]2[CH ](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[ CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)C[CH]4N )[CH](N)[CH](O)[CH]1O[CH]5O[CH](CO)[CH]( O)[CH](O)[CH]5O; O(C2C(OC1OC(CO)C(O)CC1N )C(N)CC(N)C2O)C5OC(C(OC4OC(CN)C(OC3OC(CO )C(O)C(O)C3O)C(O)C4N)C5O)CO |
(2R,3S,4S,5S,6R)-2-((2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3S,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R ,5S,6R)-3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-4-HYDROXY-2-(HYDROXYMET HYL)-TETRAHYDROFURAN-3-YLOXY)-4-HYDROXY-TETRAHYDRO-2H-PYRAN-3-YLOXY)-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL; LIVIDOMYCIN A; O-2-AMINO-2,3-DIDEOXY-ALPHA-D-GLUCOPYRANOSYL-(1,4)-O-[BETA-D-MANNOPYRANOSYL-(1,4)-O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPY RANOSYL-(1,3)-BETA-D-RIBOFURANOSYL-(1,5)-2-DEOXY-D-STREPTAMINE |
| 32229 |  LIW CHEMBL218223 ZINC000049942338 |
1 | C40 H41 N5 O5 S2 | InChI=1S/C40H41N5O5S2/c1- 40(2,29-51-34-14-7-4-8-15 -34)41-37-22-21-35(27-38( 37)45(47)48)52(49,50)42-3 9(46)31-17-19-33(20-18-31 )44-25-23-43(24-26-44)28- 32-13-9-10-16-36(32)30-11 -5-3-6-12-30/h3-22,27,41H ,23-26,28-29H2,1-2H3,(H,4 2,46); QASBRWUYQCIPKZ-UHFFFAOYSA-N |
CC(C)(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-]) S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5cc ccc5c6ccccc6; CC(C)(CSc1ccccc1)Nc2ccc(cc 2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3 )N4CCN(CC4)Cc5ccccc5c6ccccc6; [O-][N+](= O)c2cc(ccc2NC(C)(C)CSc1ccccc1)S(=O)(=O)N C(=O)c6ccc(N5CCN(Cc4c(c3ccccc3)cccc4)CC5 )cc6 |
4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-3-NITROPHENYL)SULFONYL]BENZAMIDE |
| 32230 |  LIX CHEMBL1234021 ZINC000014966605 |
2 | C32 H38 N6 O5 S | InChI=1S/C32H38N6O5S/c1-5 -25-28(23-12-14-27-26(20- 23)38(17-8-18-42-4)30(39) 32(2,3)43-27)29(37-31(33) 36-25)34-15-16-35-44(40,4 1)24-13-11-21-9-6-7-10-22 (21)19-24/h6-7,9-14,19-20 ,35H,5,8,15-18H2,1-4H3,(H 3,33,34,36,37); RRWBDAPAGFVYPT-UHFFFAOYSA-N |
CCc1nc(N)nc(NCCN[S](=O)(=O)c2ccc3ccccc3c 2)c1c4ccc5OC(C)(C)C(=O)N(CCCOC)c5c4; O=S (=O)(c2cc1ccccc1cc2)NCCNc5nc(nc(c5c4ccc3 OC(C(=O)N(c3c4)CCCOC)(C)C)CC)N; CCc1c(c( nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4cc c5c(c4)N(C(=O)C(O5)(C)C)CCCOC |
N-[2-({2-AMINO-6-ETHYL-5-[4-(3-METHOXYPROPYL)-2,2-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL]PYRIMIDIN-4-YL}AMINO)ETHYL]NAPHTHALENE-2-SULFONAMIDE |
| 32231 |  LIY DB08099 ZINC000014966595 |
2 | C25 H31 N5 O | InChI=1S/C25H31N5O/c1-3-2 0-23(24(26)29-25(27)28-20 )19-11-10-18-12-13-21(17- 8-5-4-6-9-17)30(22(18)16- 19)14-7-15-31-2/h4-6,8-11 ,16,21H,3,7,12-15H2,1-2H3 ,(H4,26,27,28,29)/t21-/m0 /s1; UOYVKYJWAXJTTE-NRFANRHFSA-N |
CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(CC3)c4c cccc4)CCCOC; CCc1c(c(nc(n1)N)N)c2ccc3c(c 2)N([C@@H](CC3)c4ccccc4)CCCOC; n4c(c(c1c cc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N) CC; CCc1nc(N)nc(N)c1c2ccc3CC[CH](N(CCCOC )c3c2)c4ccccc4; CCc1nc(N)nc(N)c1c2ccc3CC [C@H](N(CCCOC)c3c2)c4ccccc4 |
6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE |
| 32232 |  LIZ ZINC000058649372 |
6 | C30 H45 N5 O13 S | InChI=1S/C30H45N5O13S/c36 -16-30(17-37,18-38)32-29( 49)31-20-7-5-19(6-8-20)9- 21(33(11-24(39)40)12-25(4 1)42)10-34(13-26(43)44)22 -3-1-2-4-23(22)35(14-27(4 5)46)15-28(47)48/h5-8,21- 23,36-38H,1-4,9-18H2,(H,3 9,40)(H,41,42)(H,43,44)(H ,45,46)(H,47,48)(H2,31,32 ,49)/t21-,22+,23+/m1/s1; ZDJITWBUQUCYMP-VJBWXMMDSA-N |
S=C(NC(CO)(CO)CO)Nc1ccc(cc1)CC(N(CC(=O)O )CC(=O)O)CN(CC(=O)O)C2CCCCC2N(CC(=O)O)CC (=O)O; OCC(CO)(CO)NC(=S)Nc1ccc(C[CH](CN( CC(O)=O)[CH]2CCCC[CH]2N(CC(O)=O)CC(O)=O) N(CC(O)=O)CC(O)=O)cc1; OCC(CO)(CO)NC(=S) Nc1ccc(C[C@H](CN(CC(O)=O)[C@H]2CCCC[C@@H ]2N(CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)cc 1; c1cc(ccc1CC(CN(CC(=O)O)C2CCCCC2N(CC(= O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(C O)(CO)CO; c1cc(ccc1C[C@H](C[N@](CC(=O)O) [C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC( =O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO |
N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine |
| 32233 |  LJ0 |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-9-6 -7-15-8-12(9)16-14(17)13- 10-4-2-3-5-11(10)13/h6-8, 10-11,13H,2-5H2,1H3,(H,16 ,17)/t10-,11+,13+; UPGQLXSOIHDKRZ-PJXYFTJBSA-N |
Cc1ccncc1NC(=O)C2[C@@H]3CCCC[C@H]23; Cc1 ccncc1NC(=O)C2[C@H]3[C@@H]2CCCC3; Cc1ccn cc1NC(=O)C2C3C2CCCC3; Cc1ccncc1NC(=O)C2[ CH]3CCCC[CH]23; O=C(Nc1cnccc1C)C1C2CCCCC 21 |
(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide |
| 32234 |  LJ1 CHEMBL55960 DB08100 ZINC000029548831 |
2 | C16 H16 O | InChI=1S/C16H16O/c1-12-10 -15(11-13(2)16(12)17)9-8- 14-6-4-3-5-7-14/h3-11,17H ,1-2H3/b9-8+; PAHKYLUYTGBFNW-CMDGGOBGSA-N |
Cc1cc(\C=C\c2ccccc2)cc(C)c1O; Cc1cc(cc(c 1O)C)C=Cc2ccccc2; Cc1cc(C=Cc2ccccc2)cc(C )c1O; Cc1cc(cc(c1O)C)\C=C\c2ccccc2; Oc2c (cc(\C=C\c1ccccc1)cc2C)C |
2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol; 3,5-Dimethyl-4-hydroxystilbene |
| 32235 |  LJ2 CHEMBL450995 DB08101 ZINC000040836561 |
2 | C14 H10 Br2 O | InChI=1S/C14H10Br2O/c15-1 2-8-11(9-13(16)14(12)17)7 -6-10-4-2-1-3-5-10/h1-9,1 7H/b7-6+; WMVYUPRIADVLTH-VOTSOKGWSA-N |
c1ccc(cc1)\C=C\c2cc(c(c(c2)Br)O)Br; c1cc c(cc1)C=Cc2cc(c(c(c2)Br)O)Br; Oc1c(Br)cc (\C=C\c2ccccc2)cc1Br; Brc1cc(cc(Br)c1O)\ C=C\c2ccccc2; Oc1c(Br)cc(C=Cc2ccccc2)cc1 Br |
2,6-dibromo-4-[(E)-2-phenylethenyl]phenol; 3,5-Dibromo-4-hydroxystilbene |
| 32236 |  LJ3 CHEMBL493062 DB08102 ZINC000000405065 |
2 | C12 H8 Br2 O | InChI=1S/C12H8Br2O/c13-10 -6-9(7-11(14)12(10)15)8-4 -2-1-3-5-8/h1-7,15H; SKQRVOXIIAXXEM-UHFFFAOYSA-N |
c1ccc(cc1)c2cc(c(c(c2)Br)O)Br; Brc1cc(cc (Br)c1O)c2ccccc2; Oc1c(Br)cc(cc1Br)c2ccc cc2 |
3,5-dibromobiphenyl-4-ol; 3,5-Dibromo-4-hydroxybiphenyl |
| 32237 |  LJ4 CHEMBL501942 DB08103 ZINC000034512355 |
1 | C12 H8 Br2 O2 | InChI=1S/C12H8Br2O2/c13-1 0-6-9(7-11(14)12(10)15)16 -8-4-2-1-3-5-8/h1-7,15H; CRSZEDOZGJPOHP-UHFFFAOYSA-N |
c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br; Brc2cc(O c1ccccc1)cc(Br)c2O; Oc1c(Br)cc(Oc2ccccc2 )cc1Br |
2,6-dibromo-4-phenoxyphenol; 1,3-Dibromo-2-hydroxy-5-phenoxybenzene |
| 32238 |  LJ5 CHEMBL452648 DB08104 ZINC000000945266 |
2 | C13 H9 Br2 N O2 | InChI=1S/C13H9Br2NO2/c14- 10-6-9(7-11(15)12(10)17)1 6-13(18)8-4-2-1-3-5-8/h1- 7,17H,(H,16,18); HKODPZBPODONGO-UHFFFAOYSA-N |
Brc1cc(cc(Br)c1O)NC(=O)c2ccccc2; c1ccc(c c1)C(=O)Nc2cc(c(c(c2)Br)O)Br; Oc1c(Br)cc (NC(=O)c2ccccc2)cc1Br |
N-(3,5-dibromo-4-hydroxyphenyl)benzamide |
| 32239 |  LJ6 ZINC000096416882 |
2 | C11 H18 N2 O2 | InChI=1S/C11H18N2O2/c1-7( 11(14)13(4)5)6-10-8(2)12- 15-9(10)3/h7H,6H2,1-5H3/t 7-/m1/s1; NIHQHFJWDDQIMY-SSDOTTSWSA-N |
Cc1c(c(on1)C)CC(C)C(=O)N(C)C; C[CH](Cc1c (C)onc1C)C(=O)N(C)C; C[C@H](Cc1c(C)onc1C )C(=O)N(C)C; CC(Cc1c(C)onc1C)C(=O)N(C)C; Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C |
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide |
| 32240 |  LJ7 |
1 | C14 H16 F N3 O | InChI=1S/C14H16FN3O/c1-10 (2)18-8-7-13(17-18)14(19) 16-9-11-3-5-12(15)6-4-11/ h3-8,10H,9H2,1-2H3,(H,16, 19); LNEKDDDRHINJQA-UHFFFAOYSA-N |
CC(C)n1ccc(n1)C(=O)NCc2ccc(cc2)F; n1(nc( cc1)C(NCc2ccc(cc2)F)=O)C(C)C; CC(C)n1ccc (n1)C(=O)NCc2ccc(F)cc2 |
N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide |
| 32241 |  LJ8 |
8 | C18 H28 N O5 P | InChI=1S/C18H28NO5P/c1-14 (7-8-15-5-3-2-4-6-15)11-1 2-25(23,24)13-16(18(21)22 )9-10-17(19)20/h2-6,14,16 H,7-13H2,1H3,(H2,19,20)(H ,21,22)(H,23,24)/t14-,16+ /m0/s1; QVWDMOWNQBVUFQ-GOEBONIOSA-N |
C[C@@H](CCc1ccccc1)CC[P](O)(=O)C[C@@H](C CC(N)=O)C(O)=O; C[C@@H](CCc1ccccc1)CCP(= O)(C[C@@H](CCC(=O)N)C(=O)O)O; C[CH](CCc1 ccccc1)CC[P](O)(=O)C[CH](CCC(N)=O)C(O)=O ; CC(CCc1ccccc1)CCP(=O)(CC(CCC(=O)N)C(=O )O)O |
(2~{S})-5-azanyl-2-[[[(3~{S})-3-methyl-5-phenyl-pentyl]-oxidanyl-phosphoryl]methyl]-5-oxidanylidene-pentanoic acid |
| 32242 |  LJ9 ZINC000072142437 |
1 | C21 H24 N4 | InChI=1S/C21H24N4/c1-2-20 -19-9-8-18(24-13-15-11-22 -12-16(15)14-24)10-21(19) 25(23-20)17-6-4-3-5-7-17/ h3-10,15-16,22H,2,11-14H2 ,1H3/t15-,16+; JRGJWNYNELQBIY-IYBDPMFKSA-N |
CCc1c2ccc(cc2n(n1)c3ccccc3)N4CC5CNCC5C4; n2c(c1ccc(cc1n2c3ccccc3)N5CC4CNCC4C5)CC ; CCc1c2ccc(cc2n(n1)c3ccccc3)N4C[C@H]5CN C[C@H]5C4; CCc1nn(c2ccccc2)c3cc(ccc13)N4 C[C@@H]5CNC[C@@H]5C4; CCc1nn(c2ccccc2)c3 cc(ccc13)N4C[CH]5CNC[CH]5C4 |
3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole |
| 32243 |  LJA ZINC000000349236 |
11 | C9 H11 N3 O2 | InChI=1S/C9H11N3O2/c1-6(1 3)11-7-3-2-4-8(5-7)12-9(1 0)14/h2-5H,1H3,(H,11,13)( H3,10,12,14); GVNXANNAMKHSRF-UHFFFAOYSA-N |
CC(=O)Nc1cccc(NC(N)=O)c1; N(C(C)=O)c1ccc c(c1)NC(N)=O; CC(=O)Nc1cccc(c1)NC(=O)N |
N-[3-(carbamoylamino)phenyl]acetamide |
| 32244 |  LJB |
6 | H15 Mo8 O26 | InChI=1S/8Mo.15H2O.11O/h; ;;;;;;;15*1H2;;;;;;;;;;;/ q2*+1;5*+2;+3;;;;;;;;;;;; ;;;;;;;;;5*+1;+2/p-15; BTBGOQYWAXYGKM-UHFFFAOYSA-A |
O[Mo]12[O+]3[Mo]4(O)(O)O[Mo]56(O)(O)O[Mo ]78(O)(O)O[Mo]9%10(O)(O)O[Mo]%11(O)(O)(O [Mo]3(O)(O)(O)[O+]%11[Mo](O)([O+]45)([O+ ]79)[O++]168)[O+]2%10; O[Mo]12[O+]3[Mo]4 (O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O +]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O 2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O |
MO(8)-O(26) Cluster |
| 32245 |  LJC |
1 | C17 H20 O6 | InChI=1S/C17H20O6/c1-22-1 5-7-10(3-5-13(15)19)12(9- 18)17(21)11-4-6-14(20)16( 8-11)23-2/h3-8,12,17-21H, 9H2,1-2H3/t12-,17-/m1/s1; DFUOJBWSSSODTR-SJKOYZFVSA-N |
COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC )c2; COc1cc(ccc1O)C(CO)C(c2ccc(c(c2)OC)O )O; COc1cc(ccc1O)[C@@H](O)[C@H](CO)c2ccc (O)c(OC)c2; COc1cc(ccc1O)[C@@H](CO)[C@@H ](c2ccc(c(c2)OC)O)O |
(1S,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
| 32246 |  LJD ZINC000017324125 |
1 | C12 H12 Cl N3 O | InChI=1S/C12H12ClN3O/c1-1 6-8-10(7-15-16)12(17)14-6 -9-2-4-11(13)5-3-9/h2-5,7 -8H,6H2,1H3,(H,14,17); LBSYJSKGYMMGBC-UHFFFAOYSA-N |
n1(cc(cn1)C(NCc2ccc(Cl)cc2)=O)C; Cn1cc(c n1)C(=O)NCc2ccc(Cl)cc2; Cn1cc(cn1)C(=O)N Cc2ccc(cc2)Cl |
N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazole-4-carboxamide |
| 32247 |  LJE ZINC000058650423 |
2 | C24 H17 F3 N4 O2 | InChI=1S/C24H17F3N4O2/c1- 15-12-18(31-22(32)16-4-2- 5-17(13-16)24(25,26)27)7- 8-21(15)33-23-19(6-3-10-2 9-23)20-9-11-28-14-30-20/ h2-14H,1H3,(H,31,32); OHDDQNLJTAKXQT-UHFFFAOYSA-N |
FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c 3ncncc3)c(c4)C; Cc1cc(ccc1Oc2c(cccn2)c3c cncn3)NC(=O)c4cccc(c4)C(F)(F)F; Cc1cc(NC (=O)c2cccc(c2)C(F)(F)F)ccc1Oc3ncccc3c4cc ncn4 |
N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide |
| 32248 |  LJF ZINC000058660785 |
1 | C29 H21 F N6 O2 | InChI=1S/C29H21FN6O2/c1-3 1-29-33-18-24(30)26(36-29 )23-11-7-17-32-28(23)38-2 1-15-13-20(14-16-21)35-27 (37)22-10-5-6-12-25(22)34 -19-8-3-2-4-9-19/h2-18,34 H,1H2,(H,35,37); VGOJUQQDRYARLG-UHFFFAOYSA-N |
Fc1cnc(N=C)nc1c2cccnc2Oc3ccc(NC(=O)c4ccc cc4Nc5ccccc5)cc3; C=Nc1ncc(c(n1)c2cccnc2 Oc3ccc(cc3)NC(=O)c4ccccc4Nc5ccccc5)F; O= C(c2ccccc2Nc1ccccc1)Nc5ccc(Oc4ncccc4c3nc (/N=C)ncc3F)cc5 |
N-[4-({3-[5-fluoro-2-(methylideneamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-2-(phenylamino)benzamide |
| 32249 |  LJG CHEMBL490184 ZINC000040421642 |
3 | C24 H39 N5 O4 S2 | InChI=1S/C24H39N5O4S2/c1- 19(2)17-28(34(30,31)23-9- 5-21(25)6-10-23)15-13-27- 14-16-29(18-20(3)4)35(32, 33)24-11-7-22(26)8-12-24/ h5-12,19-20,27H,13-18,25- 26H2,1-4H3; BMXYVKCLBAGXOY-UHFFFAOYSA-N |
CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1 )N)S(=O)(=O)c2ccc(cc2)N; CC(C)CN(CCNCCN( CC(C)C)[S](=O)(=O)c1ccc(N)cc1)[S](=O)(=O )c2ccc(N)cc2; O=S(=O)(c1ccc(N)cc1)N(CC(C )C)CCNCCN(CC(C)C)S(=O)(=O)c2ccc(N)cc2 |
N,N'-(iminodiethane-2,1-diyl)bis[4-amino-N-(2-methylpropyl)benzenesulfonamide] |
| 32250 |  LJH CHEMBL519079 ZINC000042878048 |
2 | C30 H35 N5 O4 S2 | InChI=1S/C30H35N5O4S2/c31 -27-11-15-29(16-12-27)40( 36,37)34(23-25-7-3-1-4-8- 25)21-19-33-20-22-35(24-2 6-9-5-2-6-10-26)41(38,39) 30-17-13-28(32)14-18-30/h 1-18,33H,19-24,31-32H2; LGNWJMPLPCSVBL-UHFFFAOYSA-N |
c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c 3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N; O=S(=O) (c1ccc(N)cc1)N(Cc2ccccc2)CCNCCN(Cc3ccccc 3)S(=O)(=O)c4ccc(N)cc4; Nc1ccc(cc1)[S](= O)(=O)N(CCNCCN(Cc2ccccc2)[S](=O)(=O)c3cc c(N)cc3)Cc4ccccc4 |
N,N'-(iminodiethane-2,1-diyl)bis(4-amino-N-benzylbenzenesulfonamide) |
| 32251 |  LJJ |
1 | C10 H17 N3 O | InChI=1S/C10H17N3O/c1-8-1 2-13-10(14-8)11-9-6-4-2-3 -5-7-9/h9H,2-7H2,1H3,(H,1 1,13); BHDKFMDJCREHTJ-UHFFFAOYSA-N |
Cc1nnc(o1)NC2CCCCCC2; Cc1oc(NC2CCCCCC2)n n1; n2nc(NC1CCCCCC1)oc2C |
N-cycloheptyl-5-methyl-1,3,4-oxadiazol-2-amine |
| 32252 |  LJK ZINC000065403711 |
1 | C10 H17 N3 O | InChI=1S/C10H17N3O/c1-5-1 0(3,4)11-9(14)8-6-7(2)12- 13-8/h6H,5H2,1-4H3,(H,11, 14)(H,12,13); ZDAUOJUKQPYKAC-UHFFFAOYSA-N |
CCC(C)(C)NC(=O)c1cc(n[nH]1)C; CCC(C)(C)N C(=O)c1[nH]nc(C)c1; O=C(NC(C)(C)CC)c1cc( C)n[NH]1 |
3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide |
| 32253 |  LJL |
1 | C17 H20 O6 | InChI=1S/C17H20O6/c1-22-1 5-7-10(3-5-13(15)19)12(9- 18)17(21)11-4-6-14(20)16( 8-11)23-2/h3-8,12,17-21H, 9H2,1-2H3/t12-,17+/m1/s1; DFUOJBWSSSODTR-PXAZEXFGSA-N |
COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC )c2; COc1cc(ccc1O)[C@H](O)[C@H](CO)c2ccc (O)c(OC)c2; COc1cc(ccc1O)[C@@H](CO)[C@H] (c2ccc(c(c2)OC)O)O; COc1cc(ccc1O)C(CO)C( c2ccc(c(c2)OC)O)O |
(1R,2S)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
| 32254 |  LJM |
1 | C13 H13 F N2 O S | InChI=1S/C13H13FN2OS/c1-2 -11-8-16-13(18-11)12(17)1 5-7-9-3-5-10(14)6-4-9/h3- 6,8H,2,7H2,1H3,(H,15,17); RQZLQKRNRVOGMG-UHFFFAOYSA-N |
CCc1cnc(s1)C(=O)NCc2ccc(cc2)F; n2c(C(NCc 1ccc(F)cc1)=O)sc(c2)CC; CCc1sc(nc1)C(=O) NCc2ccc(F)cc2 |
5-ethyl-N-[(4-fluorophenyl)methyl]-1,3-thiazole-2-carboxamide |
| 32255 |  LJN CHEMBL1683328 ZINC000066077721 |
3 | C10 H17 N4 O8 P | InChI=1S/C10H17N4O8P/c1-5 (15)11-2-6-3-14(13-12-6)1 0-9(17)8(16)7(22-10)4-21- 23(18,19)20/h3,7-10,16-17 H,2,4H2,1H3,(H,11,15)(H2, 18,19,20)/t7-,8-,9-,10-/m 1/s1; WKSDLIPBAPRDGN-ZYUZMQFOSA-N |
CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)O)O)O; CC(=O)NCc1cn(nn1) [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; CC(=O)NCc1cn(nn1)C2C(C(C(O2)COP(=O)(O)O) O)O; CC(=O)NCc1cn(nn1)[C@@H]2O[C@H](CO[P ](O)(O)=O)[C@@H](O)[C@H]2O |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 32256 |  LJO |
1 | C12 H13 N3 O2 | InChI=1S/C12H13N3O2/c1-9- 2-4-14-6-10(9)15-11(16)12 (7-13)3-5-17-8-12/h2,4,6H ,3,5,8H2,1H3,(H,15,16)/t1 2-/m1/s1; UDNOYHYGEXMWIJ-GFCCVEGCSA-N |
Cc1ccncc1NC(=O)C2(CCOC2)C#N; Cc1ccncc1NC (=O)[C@]2(CCOC2)C#N; N#CC1(CCOC1)C(=O)Nc 1cnccc1C; Cc1ccncc1NC(=O)[C]2(CCOC2)C#N |
(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide |
| 32257 |  LJP CHEMBL4075348 DB16835 |
1 | C16 H20 N4 O3 S | InChI=1S/C16H20N4O3S/c1-1 5(2)7-8-10(12(17)21)14(24 -11(8)16(3,4)23-15)19-13( 22)9-5-6-18-20-9/h5-6H,7H 2,1-4H3,(H2,17,21)(H,18,2 0)(H,19,22); GHTGYZMBQPXTCQ-UHFFFAOYSA-N |
CC1(Cc2c(c(sc2C(O1)(C)C)NC(=O)c3cc[nH]n3 )C(=O)N)C; CC1(C)Cc2c(sc(NC(=O)c3cc[nH]n 3)c2C(N)=O)C(C)(C)O1; CC1(OC(c3c(C1)c(c( NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C |
N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide |
| 32258 |  LJQ |
0 | C30 H58 O5 | InChI=1S/C30H58O5/c1-3-5- 7-9-11-13-14-15-17-19-21- 23-25-30(33)35-28(26-31)2 7-34-29(32)24-22-20-18-16 -12-10-8-6-4-2/h28,31H,3- 27H2,1-2H3/t28-/m0/s1; IWQJHHBIHRVMSK-NDEPHWFRSA-N |
CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCC CCCCCC; CCCCCCCCCCCCCCC(=O)O[C@@H](CO)CO C(=O)CCCCCCCCCCC; CCCCCCCCCCCCCCC(=O)OC( CO)COC(=O)CCCCCCCCCCC |
[(2~{S})-1-dodecanoyloxy-3-oxidanyl-propan-2-yl] pentadecanoate |
| 32259 |  LJR ZINC000042520684 |
4 | C8 H17 N O2 S | InChI=1S/C8H17NO2S/c1-9-1 2(10,11)7-8-5-3-2-4-6-8/h 8-9H,2-7H2,1H3; PFWYRMPHHJKJBB-UHFFFAOYSA-N |
CN[S](=O)(=O)CC1CCCCC1; CNS(=O)(=O)CC1CC CCC1; O=S(=O)(CC1CCCCC1)NC |
1-cyclohexyl-N-methylmethanesulfonamide |
| 32260 |  LJS |
4 | C13 H18 N2 O10 P2 | InChI=1S/C13H18N2O10P2/c1 -8-12(16)10(9(5-14-8)7-25 -27(22,23)24)6-15-11(13(1 7)18)3-2-4-26(19,20)21/h2 -3,5-6,14,16H,4,7H2,1H3,( H,17,18)(H2,19,20,21)(H2, 22,23,24)/b3-2-,10-6-,15- 11+; XGSUDZJIHIXLDE-NTUDHWJFSA-N |
N1C(C)=C(O)C(C(=C1)COP(O)(=O)O)=[C@H]\N= C(\C(O)=O)[C@H]=[C@H]CP(O)(=O)O; CC1=C(O )C(=CN=C(C=CC[P](O)(O)=O)C(O)=O)C(=CN1)C O[P](O)(O)=O; CC1=C(O)\C(=C/N=C(\C=C/C[P ](O)(O)=O)C(O)=O)C(=CN1)CO[P](O)(O)=O; C C1=C(/C(=C\N=C(/C=C\CP(=O)(O)O)\C(=O)O)/ C(=CN1)COP(=O)(O)O)O; CC1=C(C(=CN=C(C=CC P(=O)(O)O)C(=O)O)C(=CN1)COP(=O)(O)O)O |
(2E,3Z)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-5-phosphonopent-3-enoic acid |
| 32261 |  LJT CHEMBL5411229 |
2 | C23 H30 Cl N3 O3 S | InChI=1S/C23H30ClN3O3S/c1 -29-20-15-19-23(16-21(20) 30-2)31-22-5-4-17(24)14-1 8(22)27(19)7-3-6-25-8-10- 26(11-9-25)12-13-28/h4-5, 14-16,28H,3,6-13H2,1-2H3; GKWVWOUUPIERSK-UHFFFAOYSA-N |
COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4) CCO)Cl; COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(C CO)CC4)c2cc1OC |
2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol |
| 32262 |  LJU CHEMBL407339 |
2 | C17 H20 O6 | InChI=1S/C17H20O6/c1-22-1 5-7-10(3-5-13(15)19)12(9- 18)17(21)11-4-6-14(20)16( 8-11)23-2/h3-8,12,17-21H, 9H2,1-2H3/t12-,17+/m0/s1; DFUOJBWSSSODTR-YVEFUNNKSA-N |
COc1cc(ccc1O)[CH](O)[CH](CO)c2ccc(O)c(OC )c2; COc1cc(ccc1O)[C@H](CO)[C@@H](c2ccc( c(c2)OC)O)O; COc1cc(ccc1O)[C@@H](O)[C@@H ](CO)c2ccc(O)c(OC)c2; COc1cc(ccc1O)C(CO) C(c2ccc(c(c2)OC)O)O |
(1S,2R)-1,2-bis(3-methoxy-4-oxidanyl-phenyl)propane-1,3-diol |
| 32263 |  LJV CHEMBL4472519 |
2 | C17 H13 Cl N4 O | InChI=1S/C17H13ClN4O/c1-1 0-11(8-19)2-5-16(21-10)20 -9-13-6-12-7-14(18)3-4-15 (12)22-17(13)23/h2-7H,9H2 ,1H3,(H,20,21)(H,22,23); BPIFALCAPCGTGS-UHFFFAOYSA-N |
Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C# N; Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C #N; Cc1nc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C# N |
6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile |
| 32264 |  LJW |
1 | C13 H17 N3 O S | InChI=1S/C13H17N3OS/c1-7( 2)17-10-5-4-9(16-3)8-6-11 (13(14)15)18-12(8)10/h4-7 ,16H,1-3H3,(H3,14,15); JUDKCNJFPGEXCT-UHFFFAOYSA-N |
CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)NC; CNc1ccc (OC(C)C)c2sc(cc12)C(N)=N; [H]/N=C(\c1cc2 c(ccc(c2s1)OC(C)C)NC)/N |
4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
| 32265 |  LJX CHEMBL5203469 |
2 | C19 H21 N5 O3 S | InChI=1S/C19H21N5O3S/c1-2 -3-4-5-8-13-21-16(20)14-1 8(22-13)24(19-15(26)11(25 )10-27-19)17(23-14)12-7-6 -9-28-12/h6-7,9,11,15,19, 25-26H,2-4,10H2,1H3,(H2,2 0,21,22)/t11-,15-,19-/m1/ s1; MUHXGASCCALSAJ-PRIMNGNOSA-N |
CCCCC#Cc1nc(N)c2nc(n([CH]3OC[CH](O)[CH]3 O)c2n1)c4sccc4; CCCCC#Cc1nc(c2c(n1)n(c(n 2)c3cccs3)C4C(C(CO4)O)O)N; CCCCC#Cc1nc(c 2c(n1)n(c(n2)c3cccs3)[C@H]4[C@@H]([C@@H] (CO4)O)O)N; CCCCC#Cc1nc(N)c2nc(n([C@@H]3 OC[C@@H](O)[C@H]3O)c2n1)c4sccc4; OC1C(O) COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1 |
(2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol |
| 32266 |  LJY CHEMBL4440107 |
3 | C18 H14 Cl N3 O2 | InChI=1S/C18H14ClN3O2/c1- 24-17-8-15(4-2-11(17)9-20 )21-10-13-6-12-7-14(19)3- 5-16(12)22-18(13)23/h2-8, 21H,10H2,1H3,(H,22,23); DHTDEOJRSYUVPD-UHFFFAOYSA-N |
COc1cc(ccc1C#N)NCC2=Cc3cc(ccc3NC2=O)Cl; COc1cc(NCC2=Cc3cc(Cl)ccc3NC2=O)ccc1C#N; COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3) C#N |
4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile |
| 32267 |  LJZ |
2 | C28 H24 Cl2 N6 O4 | InChI=1S/C28H24Cl2N6O4/c2 9-21-5-1-3-7-23(21)33-25( 37)13-15-27(39)35-31-17-1 9-9-11-20(12-10-19)18-32- 36-28(40)16-14-26(38)34-2 4-8-4-2-6-22(24)30/h1-12, 17-18H,13-16H2,(H,33,37)( H,34,38)/b19-17-,20-18-,3 5-31+,36-32+; HTJQQXMFDMUXSX-MDQGHDFKSA-N |
c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC (=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2; c1ccc(c(c1)NC(=O)CCC(=O)N=NC=C2C=CC(=CN= NC(=O)CCC(=O)Nc3ccccc3Cl)C=C2)Cl; Clc1cc ccc1NC(=O)CCC(=O)/N=N/C=C3\C=C/C(=C\N=N\ C(=O)CCC(=O)Nc2ccccc2Cl)C=C3; Clc1ccccc1 NC(=O)CCC(=O)N=NC=C2C=CC(C=C2)=CN=NC(=O) CCC(=O)Nc3ccccc3Cl |
4,4'-{cyclohexa-2,5-diene-1,4-diylidenebis[(E)methylylidene(E)diazene-2,1-diyl]}bis[N-(2-chlorophenyl)-4-oxobutanamide] |
| 32268 |  LK0 CHEMBL1835485 ZINC000072126894 |
12 | C39 H53 N5 O7 | InChI=1S/C39H53N5O7/c1-38 (2,3)32(43-36(48)50-7)34( 46)41-29(21-25-13-10-9-11 -14-25)23-31(45)30(42-35( 47)33(39(4,5)6)44-37(49)5 1-8)22-26-16-18-27(19-17- 26)28-15-12-20-40-24-28/h 9-20,24,29-33,45H,21-23H2 ,1-8H3,(H,41,46)(H,42,47) (H,43,48)(H,44,49)/t29-,3 0-,31-,32+,33+/m0/s1; FOEFFFBPEIGFEX-IJLINHMISA-N |
COC(=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1 ccc(cc1)c2cccnc2)NC(=O)[CH](NC(=O)OC)C(C )(C)C)Cc3ccccc3)C(C)(C)C; O=C(OC)NC(C(=O )NC(Cc1ccccc1)CC(O)C(NC(=O)C(NC(=O)OC)C( C)(C)C)Cc3ccc(c2cccnc2)cc3)C(C)(C)C; CC( C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@ H]([C@H](Cc2ccc(cc2)c3cccnc3)NC(=O)[C@H] (C(C)(C)C)NC(=O)OC)O)NC(=O)OC; CC(C)(C)C (C(=O)NC(Cc1ccccc1)CC(C(Cc2ccc(cc2)c3ccc nc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC ; COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C@ H](Cc1ccc(cc1)c2cccnc2)NC(=O)[C@@H](NC(= O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C |
|
| 32269 |  LK1 CHEMBL458624 DB08105 ZINC000016052243 |
1 | C19 H23 N O7 S | InChI=1S/C19H23NO7S/c1-2- 3-10-27-15-6-4-14-12-16(7 -5-13(14)11-15)28(25,26)2 0-17(19(23)24)8-9-18(21)2 2/h4-7,11-12,17,20H,2-3,8 -10H2,1H3,(H,21,22)(H,23, 24)/t17-/m0/s1; UAGYXJBYAFGRFR-KRWDZBQOSA-N |
CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@@H]( CCC(O)=O)C(O)=O; CCCCOc1ccc2cc(ccc2c1)S( =O)(=O)N[C@@H](CCC(=O)O)C(=O)O; CCCCOc1c cc2cc(ccc2c1)[S](=O)(=O)N[CH](CCC(O)=O)C (O)=O; O=C(O)C(NS(=O)(=O)c1ccc2c(c1)ccc( OCCCC)c2)CCC(=O)O; CCCCOc1ccc2cc(ccc2c1) S(=O)(=O)NC(CCC(=O)O)C(=O)O |
N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-L-GLUTAMIC ACID |
| 32270 |  LK2 CHEMBL528988 DB08106 ZINC000016052242 |
1 | C19 H23 N O7 S | InChI=1S/C19H23NO7S/c1-2- 3-10-27-15-6-4-14-12-16(7 -5-13(14)11-15)28(25,26)2 0-17(19(23)24)8-9-18(21)2 2/h4-7,11-12,17,20H,2-3,8 -10H2,1H3,(H,21,22)(H,23, 24)/t17-/m1/s1; UAGYXJBYAFGRFR-QGZVFWFLSA-N |
CCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[CH](CC C(O)=O)C(O)=O; CCCCOc1ccc2cc(ccc2c1)S(=O )(=O)N[C@H](CCC(=O)O)C(=O)O; O=C(O)C(NS( =O)(=O)c1ccc2c(c1)ccc(OCCCC)c2)CCC(=O)O; CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)NC(CCC(=O )O)C(=O)O; CCCCOc1ccc2cc(ccc2c1)[S](=O)( =O)N[C@H](CCC(O)=O)C(O)=O |
N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-D-GLUTAMIC ACID |
| 32271 |  LK3 CHEMBL517944 DB08107 ZINC000016052547 |
1 | C20 H25 N O7 S | InChI=1S/C20H25NO7S/c1-2- 3-4-11-28-16-7-5-15-13-17 (8-6-14(15)12-16)29(26,27 )21-18(20(24)25)9-10-19(2 2)23/h5-8,12-13,18,21H,2- 4,9-11H2,1H3,(H,22,23)(H, 24,25)/t18-/m1/s1; LIGACKDHLKEZFH-GOSISDBHSA-N |
CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[C@H]( CCC(O)=O)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc 2c(c1)ccc(OCCCCC)c2)CCC(=O)O; CCCCCOc1cc c2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(= O)O; CCCCCOc1ccc2cc(ccc2c1)[S](=O)(=O)N[ CH](CCC(O)=O)C(O)=O; CCCCCOc1ccc2cc(ccc2 c1)S(=O)(=O)NC(CCC(=O)O)C(=O)O |
N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-D-GLUTAMIC ACID |
| 32272 |  LK4 CHEMBL458966 DB08108 ZINC000016052548 |
1 | C23 H20 N2 O7 S | InChI=1S/C23H20N2O7S/c24- 13-15-1-3-16(4-2-15)14-32 -19-7-5-18-12-20(8-6-17(1 8)11-19)33(30,31)25-21(23 (28)29)9-10-22(26)27/h1-8 ,11-12,21,25H,9-10,14H2,( H,26,27)(H,28,29)/t21-/m1 /s1; PUHRQSFXADUGJW-OAQYLSRUSA-N |
c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@ H](CCC(=O)O)C(=O)O)C#N; OC(=O)CC[C@@H](N [S](=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2 c1)C(O)=O; c1cc(ccc1COc2ccc3cc(ccc3c2)S( =O)(=O)NC(CCC(=O)O)C(=O)O)C#N; OC(=O)CC[ CH](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N )ccc2c1)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc3 c(c1)ccc(OCc2ccc(C#N)cc2)c3)CCC(=O)O |
N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID |
| 32273 |  LK5 DB08109 ZINC000100036343 |
1 | C17 H27 N O4 | InChI=1S/C17H27NO4/c1-3-5 -9-22-13-8-6-7-12-14(13)1 6(17(20)21)18-15(12)11(4- 2)10-19/h10-13,15,18H,3-9 H2,1-2H3,(H,20,21)/t11-,1 2+,13+,15+/m0/s1; WRBRCIHZCYLBFW-KYEXWDHISA-N |
CCCCOC1CCCC2C1=C(NC2C(CC)C=O)C(=O)O; O=C C(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC; CCCC O[C@@H]1CCC[C@@H]2C1=C(N[C@@H]2[C@@H](CC )C=O)C(=O)O; CCCCO[CH]1CCC[CH]2[CH](NC(= C12)C(O)=O)[CH](CC)C=O; CCCCO[C@@H]1CCC[ C@H]2[C@H](NC(=C12)C(O)=O)[C@@H](CC)C=O |
(1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID |
| 32274 |  LK6 ZINC000042370299 |
1 | C9 H15 N O3 S | InChI=1S/C9H15NO3S/c1-9(4 -5-14(12,13)6-9)10-8(11)7 -2-3-7/h7H,2-6H2,1H3,(H,1 0,11)/t9-/m1/s1; LMUYJJAKMZKBHS-SECBINFHSA-N |
C[C@]1(CC[S](=O)(=O)C1)NC(=O)C2CC2; O=S1 (=O)CCC(C)(NC(=O)C2CC2)C1; C[C@]1(CCS(=O )(=O)C1)NC(=O)C2CC2; CC1(CCS(=O)(=O)C1)N C(=O)C2CC2; C[C]1(CC[S](=O)(=O)C1)NC(=O) C2CC2 |
N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide |
| 32275 |  LK7 DB08110 ZINC000100036348 |
1 | C14 H19 N O4 | InChI=1S/C14H19NO4/c1-3-8 (7-16)12-9-5-4-6-10(19-2) 11(9)13(15-12)14(17)18/h3 ,7,9-10,12,15H,4-6H2,1-2H 3,(H,17,18)/b8-3-/t9-,10- ,12-/m0/s1; ZYKSDPVHVMSKIL-IIHMJNQGSA-N |
CO[CH]1CCC[CH]2[CH](NC(=C12)C(O)=O)C(=CC )C=O; CO[C@H]1CCC[C@@H]2[C@@H](NC(=C12)C (O)=O)C(=C/C)\C=O; O=C/C(=C/C)C1NC(=C2C1 CCCC2OC)C(=O)O; CC=C(C=O)[C@H]1[C@H]2CCC [C@@H](C2=C(N1)C(=O)O)OC; CC=C(C=O)C1C2C CCC(C2=C(N1)C(=O)O)OC |
(1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID |
| 32276 |  LK8 |
2 | C25 H22 Cl2 F3 N3 O3 | InChI=1S/C25H22Cl2F3N3O3/ c1-13-11-17(25(28,29)30)1 4-5-3-7-20(22(14)32-13)36 -12-16-18(26)9-8-15(21(16 )27)24(35)33-10-4-6-19(33 )23(34)31-2/h3,5,7-9,11,1 9H,4,6,10,12H2,1-2H3,(H,3 1,34)/t19-/m0/s1; SGDYSAAUPQPUSM-IBGZPJMESA-N |
Cc1cc(c2cccc(c2n1)OCc3c(ccc(c3Cl)C(=O)N4 CCCC4C(=O)NC)Cl)C(F)(F)F; Cc1cc(c2cccc(c 2n1)OCc3c(ccc(c3Cl)C(=O)N4CCC[C@H]4C(=O) NC)Cl)C(F)(F)F; CNC(=O)[C@@H]1CCCN1C(=O) c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F )c2Cl; CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c( COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl |
(2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
| 32277 |  LK9 |
2 | C19 H15 N3 O | InChI=1S/C19H15N3O/c20-19 -17(10-12-4-2-1-3-5-12)21 -18-15-8-7-14(23)11-13(15 )6-9-16(18)22-19/h1-9,11, 23H,10H2,(H2,20,22); FZAJVBZJLFLZOR-UHFFFAOYSA-N |
c1ccc(cc1)Cc2c(nc3ccc4cc(ccc4c3n2)O)N; N c1nc2ccc3cc(O)ccc3c2nc1Cc4ccccc4 |
3-azanyl-2-(phenylmethyl)benzo[f]quinoxalin-8-ol |
| 32278 |  LKA DB03414 |
1 | C6 H13 N O4 S | InChI=1S/C6H13NO4S/c7-6-5 (11)4(10)3(9)2(1-8)12-6/h 2-6,8-11H,1,7H2/t2-,3-,4+ ,5+,6+/m1/s1; FGVRMLQUWLZGLJ-PQMKYFCFSA-N |
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N) O)O)O)O; N[C@H]1S[C@H](CO)[C@@H](O)[C@H] (O)[C@@H]1O; C(C1C(C(C(C(S1)N)O)O)O)O; O C1C(O)C(SC(N)C1O)CO; N[CH]1S[CH](CO)[CH] (O)[CH](O)[CH]1O |
5-thio-alpha-D-mannopyranosylamine; 5-THIO-A/B-D-MANNOPYRANOSYLAMINE; 5-thio-alpha-D-mannosylamine; 5-thio-D-mannosylamine; 5-thio-mannosylamine |
| 32279 |  LKB CHEMBL516312 ZINC000040847911 |
2 | C20 H13 N5 O | InChI=1S/C20H13N5O/c21-9- 13-3-5-14(6-4-13)16-8-17- 18(12-24-19(17)23-11-16)2 5-20(26)15-2-1-7-22-10-15 /h1-8,10-12H,(H,23,24)(H, 25,26); JTSLALYXYSRPGW-UHFFFAOYSA-N |
O=C(Nc1c[nH]c2ncc(cc12)c3ccc(cc3)C#N)c4c ccnc4; c1cc(cnc1)C(=O)Nc2c[nH]c3c2cc(cn3 )c4ccc(cc4)C#N |
~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide |
| 32280 |  LKC ZINC000006504946 |
0 | C11 H15 N3 O5 | InChI=1S/C11H15N3O5/c1-5- 2-14(10(17)13-8(5)12)9-6- 7(16)11(3-15,19-9)4-18-6/ h2,6-7,9,15-16H,3-4H2,1H3 ,(H2,12,13,17)/t6-,7+,9-, 11+/m1/s1; NELYIRACPIJATH-SZVQBCOZSA-N |
CC1=CN([CH]2O[C]3(CO)CO[CH]2[CH]3O)C(=O) N=C1N; CC1=CN([C@@H]2O[C@@]3(CO)CO[C@@H] 2[C@@H]3O)C(=O)N=C1N; CC1=CN(C(=O)N=C1N) C2C3C(C(O2)(CO3)CO)O; O=C1N=C(N)C(=CN1C3 OC2(C(O)C3OC2)CO)C; CC1=CN(C(=O)N=C1N)[C @H]2[C@H]3[C@@H]([C@@](O2)(CO3)CO)O |
4-AMINO-1-[(1S,3R,4R,7S)-7-HYDROXY-1-(HYDROXYMETHYL)-2,5-DIOXABICYCLO[2.2.1]HEPT-3-YL]-5-METHYLPYRIMIDIN-2(1H)-ONE |
| 32281 |  LKD |
1 | C29 H28 Cl F2 N3 O2 S | InChI=1S/C29H28ClF2N3O2S/ c1-33-20-4-6-21(7-5-20)35 (29(36)28-26(30)25-22(31) 8-9-23(32)27(25)38-28)16- 19-15-18(3-10-24(19)37-2) 17-11-13-34-14-12-17/h3,8 -15,20-21,33H,4-7,16H2,1- 2H3/t20-,21-; YVIFQUJDZSAFKG-MEMLXQNLSA-N |
CN[CH]1CC[CH](CC1)N(Cc2cc(ccc2OC)c3ccncc 3)C(=O)c4sc5c(F)ccc(F)c5c4Cl; CNC1CCC(CC 1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(c cc(c5s4)F)F)Cl; C5(NC)CCC(N(C(=O)c2c(Cl) c1c(c(ccc1F)F)s2)Cc3c(ccc(c3)c4ccncc4)OC )CC5; CN[C@H]1CC[C@@H](CC1)N(Cc2cc(ccc2O C)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4Cl |
3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide |
| 32282 |  LKE |
0 | C13 H12 N6 O3 | InChI=1S/C13H12N6O3/c14-6 -11-16-10(13(22)19(11)7-1 2(20)21)5-8-1-3-9(4-2-8)1 7-18-15/h1-5H,6-7,14H2,(H ,20,21)/b10-5-; LLZZHPRLBAOKOQ-YHYXMXQVSA-N |
c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O) N=[N+]=[N-]; c1cc(ccc1C=C2C(=O)N(C(=N2)C N)CC(=O)O)N=[N+]=[N-]; NCC1=NC(=Cc2ccc(c c2)N=[N+]=[N-])C(=O)N1CC(O)=O; NCC1=N\C( =C/c2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O |
2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
| 32283 |  LKF CHEMBL3262043 ZINC000098209116 |
2 | C18 H24 N6 O2 | InChI=1S/C18H24N6O2/c1-13 (25-3)11-23-12-15(10-20-2 3)16-14(2)21-18-17(19-4-5 -24(16)18)22-6-8-26-9-7-2 2/h4-5,10,12-13H,6-9,11H2 ,1-3H3/t13-/m0/s1; DPAWKOUFAHFNNS-ZDUSSCGKSA-N |
Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C) OC; Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C [C@H](C)OC; CO[CH](C)Cn1cc(cn1)c2n3ccnc( N4CCOCC4)c3nc2C; CO[C@@H](C)Cn1cc(cn1)c2 n3ccnc(N4CCOCC4)c3nc2C; n2ccn4c(c1cn(nc1 )CC(OC)C)c(nc4c2N3CCOCC3)C |
4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine |
| 32284 |  LKG CHEMBL495898 DB08111 ZINC000016052803 |
1 | C18 H14 N4 O | InChI=1S/C18H14N4O/c23-15 -8-6-13(7-9-15)12-18-20-1 9-17-11-10-16(21-22(17)18 )14-4-2-1-3-5-14/h1-11,23 H,12H2; ZGJYGQLGSXWEMY-UHFFFAOYSA-N |
Oc1ccc(Cc2nnc3ccc(nn23)c4ccccc4)cc1; c1c cc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O; n1c( ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4 |
4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol |
| 32285 |  LKH ZINC000001478068 |
2 | C16 H11 Cl N4 O2 S | InChI=1S/C16H11ClN4O2S/c1 7-13-7-5-11(6-8-13)14-19- 20-16(24)21(14)18-9-10-1- 3-12(4-2-10)15(22)23/h1-9 H,(H,20,24)(H,22,23)/b18- 9+; CQVXUWVBXDJAGD-GIJQJNRQSA-N |
c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C (=O)O; c1cc(ccc1C=NN2C(=NNC2=S)c3ccc(cc3 )Cl)C(=O)O; OC(=O)c1ccc(cc1)\C=N\N2C(=S) NN=C2c3ccc(Cl)cc3; OC(=O)c1ccc(cc1)C=NN2 C(=S)NN=C2c3ccc(Cl)cc3 |
4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid |
| 32286 |  LKI |
1 | C12 H11 Cl N2 O2 S | InChI=1S/C12H11ClN2O2S/c1 -9-5-6-14-8-12(9)15-18(16 ,17)11-4-2-3-10(13)7-11/h 2-8,15H,1H3; XFTYNEPZRSHDOA-UHFFFAOYSA-N |
Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl; O=S(=O) (Nc1cnccc1C)c1cccc(Cl)c1; Cc1ccncc1N[S]( =O)(=O)c2cccc(Cl)c2 |
3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide |
| 32287 |  LKJ ZINC000150344446 |
3 | C53 H60 N8 O6 | InChI=1S/C53H60N8O6/c62-4 9(54-33-36-14-11-19-39(28 -36)37-15-3-1-4-16-37)44- 29-40(31-46(55-44)51(64)6 0-26-12-20-42(60)34-58-22 -7-8-23-58)41-30-45(50(63 )57-48(53(66)67)38-17-5-2 -6-18-38)56-47(32-41)52(6 5)61-27-13-21-43(61)35-59 -24-9-10-25-59/h1,3-4,9-1 1,14-16,19,24-25,28-32,38 ,42-43,48H,2,5-8,12-13,17 -18,20-23,26-27,33-35H2,( H,54,62)(H,57,63)(H,66,67 )/t42-,43-,48-/m1/s1; OURBCKKEKMWLAJ-JYIFATIISA-N |
O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC 2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c 5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9; c1cc c(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N 4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CC C[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C( =O)O; OC(=O)[CH](NC(=O)c1cc(cc(n1)C(=O)N 2CCC[CH]2Cn3cccc3)c4cc(nc(c4)C(=O)N5CCC[ CH]5CN6CCCC6)C(=O)NCc7cccc(c7)c8ccccc8)C 9CCCCC9; OC(=O)[C@H](NC(=O)c1cc(cc(n1)C( =O)N2CCC[C@@H]2Cn3cccc3)c4cc(nc(c4)C(=O) N5CCC[C@@H]5CN6CCCC6)C(=O)NCc7cccc(c7)c8 ccccc8)C9CCCCC9; c1ccc(cc1)c2cccc(c2)CNC (=O)c3cc(cc(n3)C(=O)N4CCCC4CN5CCCC5)c6cc (nc(c6)C(=O)N7CCCC7Cn8cccc8)C(=O)NC(C9CC CCC9)C(=O)O |
(2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid |
| 32288 |  LKK |
1 | C16 H21 Br N4 O4 S | InChI=1S/C16H21BrN4O4S/c1 -3-16(4-2,26(23,24)25)15( 22)18-9-14-11-21(20-19-14 )10-12-5-7-13(17)8-6-12/h 5-8,11H,3-4,9-10H2,1-2H3, (H,18,22)(H,23,24,25); XOALJRIEKUWYNB-UHFFFAOYSA-N |
CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S ](O)(=O)=O; CCC(CC)(C(=O)NCc1cn(nn1)Cc2c cc(cc2)Br)S(=O)(=O)O |
3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid |
| 32289 |  LKL CHEMBL4965335 ZINC000086711404 |
1 | C8 H10 Cl F N2 O | InChI=1S/C8H10ClFN2O/c1-1 2(2-3-13)8-7(10)4-6(9)5-1 1-8/h4-5,13H,2-3H2,1H3; WBIQOAOWXPGYEU-UHFFFAOYSA-N |
Fc1cc(Cl)cnc1N(C)CCO; CN(CCO)c1c(cc(cn1) Cl)F; CN(CCO)c1ncc(Cl)cc1F |
2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol |
| 32290 |  LKM CHEMBL457526 DB08112 ZINC000040848762 |
1 | C23 H19 F N2 O7 S | InChI=1S/C23H19FN2O7S/c24 -20-9-14(12-25)1-2-17(20) 13-33-18-5-3-16-11-19(6-4 -15(16)10-18)34(31,32)26- 21(23(29)30)7-8-22(27)28/ h1-6,9-11,21,26H,7-8,13H2 ,(H,27,28)(H,29,30)/t21-/ m1/s1; IRJUSGUHNFMVCK-OAQYLSRUSA-N |
c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)( =O)N[C@H](CCC(=O)O)C(=O)O; OC(=O)CC[C@@H ](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N) ccc2c1)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc3c (c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O; c1 cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O )NC(CCC(=O)O)C(=O)O; OC(=O)CC[CH](N[S](= O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C (O)=O |
N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID |
| 32291 |  LKO |
0 | C27 H25 N2 O4 | InChI=1S/C27H25N2O4/c1-30 -23-6-5-19-20(4-3-17-7-10 -28-11-8-17)26-21-14-25-2 4(32-16-33-25)13-18(21)9- 12-29(26)15-22(19)27(23)3 1-2/h5-8,10-11,13-15H,3-4 ,9,12,16H2,1-2H3/q+1; RNEIDRUOMNDERD-UHFFFAOYSA-N |
COc1ccc2c(c1OC)c[n+]3c(c2CCc4ccncc4)-c5c c6c(cc5CC3)OCO6; COc1ccc2c(CCc3ccncc3)c4 c5cc6OCOc6cc5CC[n+]4cc2c1OC |
16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene |
| 32292 |  LKP CHEMBL3989951 DB15439 |
2 | C18 H21 F N2 O2 | InChI=1S/C18H21FN2O2/c19- 14-3-1-2-13-16-9-20-10-21 (16)15(18(13)14)8-17(23)1 1-4-6-12(22)7-5-11/h1-3,9 -12,15,17,22-23H,4-8H2/t1 1-,12-,15-,17+/m0/s1; YGACXVRLDHEXKY-WXRXAMBDSA-N |
c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCC(CC4)O )O; c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)c nc4; c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@ H](C4CCC(CC4)O)O; O[CH]1CC[CH](CC1)[CH]( O)C[CH]2n3cncc3c4cccc(F)c24; O[C@H]1CC[C @@H](CC1)[C@H](O)C[C@@H]2n3cncc3c4cccc(F )c24 |
trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol; Navoximod |
| 32293 |  LKQ CHEMBL4441479 |
2 | C25 H24 N8 O2 | InChI=1S/C25H24N8O2/c1-14 -11-28-25(30-20-13-33(3)3 2-24(20)35-4)31-21(14)18- 12-27-22-17(18)7-5-9-19(2 2)29-23(34)16-8-6-10-26-1 5(16)2/h5-13,27H,1-4H3,(H ,29,34)(H,28,30,31); VVOKUJIAOSWPTI-UHFFFAOYSA-N |
Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4 C)Nc5cn(nc5OC)C; COc1nn(C)cc1Nc2ncc(C)c( n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34 |
~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide |
| 32294 |  LKR CHEMBL170405 ZINC000004098600 |
4 | C15 H10 O7 | InChI=1S/C15H10O7/c16-7-1 -2-8-11(5-7)22-15(14(21)1 2(8)19)6-3-9(17)13(20)10( 18)4-6/h1-5,16-18,20-21H; SOEDEYVDCDYMMH-UHFFFAOYSA-N |
Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3 )O; c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3 )O)O)O |
3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one; Robinetin |
| 32295 |  LKS ZINC000006578984 |
1 | C14 H20 N2 O4 S | InChI=1S/C14H20N2O4S/c15- 10(6-8-4-2-1-3-5-8)16-14- 13(20)12(19)11(18)9(7-17) 21-14/h1-5,9,11-14,17-20H ,6-7H2,(H2,15,16)/t9-,11- ,12+,13+,14+/m1/s1; WKJQYOUTPMBFSL-CYDRSHDDSA-N |
OC[C@H]1S[C@H](NC(=N)Cc2ccccc2)[C@@H](O) [C@@H](O)[C@@H]1O; [N@H]=C(NC1SC(C(O)C(O )C1O)CO)Cc2ccccc2; OC[CH]1S[CH](NC(=N)Cc 2ccccc2)[CH](O)[CH](O)[CH]1O; [H]/N=C(/C c1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@ H](S2)CO)O)O)O; [H]N=C(Cc1ccccc1)NC2C(C( C(C(S2)CO)O)O)O |
N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine; N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE; 2-C-PHENYL-N-(5-THIO-A/B-D-MANNOPYRANOSYL)ACETAMIDINIUM; N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannosylamine; N-[(1Z)-2-phenylethanimidoyl]-5-thio-D-mannosylamine; N-[(1Z)-2-phenylethanimidoyl]-5-thio-mannosylamine |
| 32296 |  LKT |
2 | C23 H19 Cl N8 | InChI=1S/C23H19ClN8/c24-1 9-2-1-3-21(18(19)10-26)31 -9-6-15(12-31)20(4-7-25)3 2-13-16(11-30-32)22-17-5- 8-27-23(17)29-14-28-22/h1 -3,5,8,11,13-15,20H,4,6,9 ,12H2,(H,27,28,29)/t15-,2 0-/m0/s1; BKUZTJNOISYCFG-YWZLYKJASA-N |
c1cc(c(c(c1)Cl)C#N)N2CCC(C2)C(CC#N)n3cc( cn3)c4c5cc[nH]c5ncn4; Clc1cccc(N2CC[C@@H ](C2)[C@H](CC#N)n3cc(cn3)c4ncnc5[nH]ccc4 5)c1C#N; Clc1cccc(N2CC[CH](C2)[CH](CC#N) n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N; c1cc(c( c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3c c(cn3)c4c5cc[nH]c5ncn4 |
2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile |
| 32297 |  LKU ZINC000000364992 |
2 | C14 H12 F N O2 | InChI=1S/C14H12FNO2/c1-9- 5-6-12(8-13(9)17)16-14(18 )10-3-2-4-11(15)7-10/h2-8 ,17H,1H3,(H,16,18); HSWJYBWHEHPWSP-UHFFFAOYSA-N |
Cc1ccc(cc1O)NC(=O)c2cccc(c2)F; Cc1ccc(NC (=O)c2cccc(F)c2)cc1O |
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide |
| 32298 |  LKV CHEMBL5425162 |
5 | C16 H20 N2 O4 | InChI=1S/C16H20N2O4/c1-9( 2)13(14(19)17-10(3)16(21) 22)18-8-11-6-4-5-7-12(11) 15(18)20/h4-7,9-10,13H,8H 2,1-3H3,(H,17,19)(H,21,22 )/t10-,13-/m0/s1; ZLJCDMXBPPBVSF-GWCFXTLKSA-N |
CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N[C@@H]( C)C(O)=O; CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2c cccc2C1=O; C[C@@H](C(=O)O)NC(=O)[C@H](C( C)C)N1Cc2ccccc2C1=O; CC(C)[CH](N1Cc2cccc c2C1=O)C(=O)N[CH](C)C(O)=O |
(2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid |
| 32299 |  LKW ZINC000020492357 |
2 | C22 H17 N3 O4 | InChI=1S/C22H17N3O4/c1-2- 12-3-5-14(6-4-12)19-18-16 (22(28)29)11-17(23-20(18) 25-24-19)13-7-9-15(10-8-1 3)21(26)27/h3-11H,2H2,1H3 ,(H,26,27)(H,28,29)(H,23, 24,25); AJRMTRZJIPBKHX-UHFFFAOYSA-N |
CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4 ccc(cc4)C(O)=O; CCc1ccc(cc1)c2c3c(cc(nc3 n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O |
6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| 32300 |  LKX |
1 | C10 H9 Cl N4 O2 | InChI=1S/C10H9ClN4O2/c11- 8-3-1-2-7(4-8)5-9(16)14-1 5-6-12-13-10(15)17/h1-4,6 H,5H2,(H,13,17)(H,14,16); IADLNEMEFCQDCX-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O; Clc1ccc c(CC(=O)NN2C=NNC2=O)c1; O=C1NN=CN1NC(=O) Cc1cccc(Cl)c1 |
2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide |
| 32301 |  LKY CHEMBL5281816 |
3 | C27 H31 F N4 O2 | InChI=1S/C27H31FN4O2/c1-1 8-16-31(10-11-32(18)27(34 )21-7-3-4-8-21)17-23-13-2 4(28)14-25(19(23)2)30-26( 33)22-9-5-6-20(12-22)15-2 9/h5-6,9,12-14,18,21H,3-4 ,7-8,10-11,16-17H2,1-2H3, (H,30,33)/t18-/m0/s1; AQGBWBMWWNRWNU-SFHVURJKSA-N |
C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc(NC( =O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC(=O)c 2cccc(c2)C#N)F)CN3CCN(C(C3)C)C(=O)C4CCCC 4; C[C@H]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc (NC(=O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC( =O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(= O)C4CCCC4; c1(c(cc(cc1CN2CC(C)N(CC2)C(C3 CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C |
3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide |
| 32302 |  LKZ |
5 | C12 H14 O6 | InChI=1S/C12H14O6/c1-8(14 )4-10(16)6-12(18)7-11(17) 5-9(15)2-3-13/h3H,2,4-7H2 ,1H3; PTGARLKYUIIZKU-UHFFFAOYSA-N |
CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O | 3,5,7,9,11-pentakis(oxidanylidene)dodecanal |
| 32303 |  LL0 ZINC000036948432 |
11 | C7 H7 F2 N O3 S | InChI=1S/C7H7F2NO3S/c8-7( 9)13-5-3-1-2-4-6(5)14(10, 11)12/h1-4,7H,(H2,10,11,1 2); XDODAVQVIOWLPT-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccccc1OC(F)F; O=S(N)(=O)c1 ccccc1OC(F)F; c1ccc(c(c1)OC(F)F)S(=O)(=O )N |
2-(difluoromethoxy)benzene-1-sulfonamide |
| 32304 |  LL1 CHEMBL1234032 DB08113 ZINC000039132370 |
1 | C12 H9 N3 | InChI=1S/C12H9N3/c1-2-4-1 1-10(3-1)12(15-14-11)9-5- 7-13-8-6-9/h1-8H,(H,14,15 ); MSRXUUDVRNWSTN-UHFFFAOYSA-N |
n2c(c1ccccc1n2)c3ccncc3; [nH]1nc(c2ccncc 2)c3ccccc13; c1ccc2c(c1)c(n[nH]2)c3ccncc 3 |
3-pyridin-4-yl-1H-indazole |
| 32305 |  LL2 CHEMBL1234033 DB08114 ZINC000000063264 |
1 | C10 H10 N2 S | InChI=1S/C10H10N2S/c11-10 -12-7-9(13-10)6-8-4-2-1-3 -5-8/h1-5,7H,6H2,(H2,11,1 2); FJIMLXBJUVLMMN-UHFFFAOYSA-N |
n1cc(sc1N)Cc2ccccc2; Nc1sc(Cc2ccccc2)cn1 ; c1ccc(cc1)Cc2cnc(s2)N |
5-benzyl-1,3-thiazol-2-amine; 5-Benzyl-thiazol-2-ylmaine |
| 32306 |  LL3 CHEMBL1773785 |
1 | C19 H19 N3 O2 S | InChI=1S/C19H19N3O2S/c23- 17(13-14-5-2-1-3-6-14)22- 10-8-15(9-11-22)19-20-18( 21-24-19)16-7-4-12-25-16/ h1-7,12,15H,8-11,13H2; FNAMKJFTCMWMKP-UHFFFAOYSA-N |
c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc s4; O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4s ccc4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4 ccccc4 |
2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone |
| 32307 |  LL4 CHEMBL1773953 ZINC000071329339 |
2 | C17 H23 N3 O2 S | InChI=1S/C17H23N3O2S/c1-1 2(2)5-6-15(21)20-9-7-13(8 -10-20)17-18-16(19-22-17) 14-4-3-11-23-14/h3-4,11-1 3H,5-10H2,1-2H3; QWPAQBJBWLSPSH-UHFFFAOYSA-N |
CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)CCC(C)C; CC(C)CCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3 |
4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one |
| 32308 |  LL5 CHEMBL1773955 ZINC000071297061 |
1 | C16 H22 N4 O2 S | InChI=1S/C16H22N4O2S/c1-1 0(2)13(17)16(21)20-7-5-11 (6-8-20)15-18-14(19-22-15 )12-4-3-9-23-12/h3-4,9-11 ,13H,5-8,17H2,1-2H3/t13-/ m0/s1; XUGKZTMKTMWUPY-ZDUSSCGKSA-N |
CC(C)[C@H](N)C(=O)N1CC[C@H](CC1)c2onc(n2 )c3sccc3; CC(C)[C@@H](C(=O)N1CCC(CC1)c2n c(no2)c3cccs3)N; CC(C)[CH](N)C(=O)N1CC[C H](CC1)c2onc(n2)c3sccc3; CC(C)C(C(=O)N1C CC(CC1)c2nc(no2)c3cccs3)N; O=C(N3CCC(c1o nc(n1)c2sccc2)CC3)C(N)C(C)C |
(2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one |
| 32309 |  LL6 CHEMBL5432509 |
2 | C20 H20 N2 O4 | InChI=1S/C20H20N2O4/c1-13 (20(25)26)21-18(23)17(11- 14-7-3-2-4-8-14)22-12-15- 9-5-6-10-16(15)19(22)24/h 2-10,13,17H,11-12H2,1H3,( H,21,23)(H,25,26)/t13-,17 -/m0/s1; UFEBTJRSHCOXAH-GUYCJALGSA-N |
CC(C(=O)O)NC(=O)C(Cc1ccccc1)N2Cc3ccccc3C 2=O; C[C@H](NC(=O)[C@H](Cc1ccccc1)N2Cc3c cccc3C2=O)C(O)=O; C[C@@H](C(=O)O)NC(=O)[ C@H](Cc1ccccc1)N2Cc3ccccc3C2=O; C[CH](NC (=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)= O |
(2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid |
| 32310 |  LL7 |
2 | C25 H33 N3 O7 S | InChI=1S/C25H33N3O7S/c1-3 3-21-15-19(16-22(34-2)24( 21)35-3)27-23(29)12-13-26 -25(30)20-11-7-8-14-28(20 )36(31,32)17-18-9-5-4-6-1 0-18/h4-6,9-10,15-16,20H, 7-8,11-14,17H2,1-3H3,(H,2 6,30)(H,27,29)/t20-/m0/s1; WNVXSKRDYHCOMK-FQEVSTJZSA-N |
COc1cc(NC(=O)CCNC(=O)[CH]2CCCCN2[S](=O)( =O)Cc3ccccc3)cc(OC)c1OC; COc1cc(cc(c1OC) OC)NC(=O)CCNC(=O)C2CCCCN2S(=O)(=O)Cc3ccc cc3; COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@ @H]2CCCCN2S(=O)(=O)Cc3ccccc3; COc1cc(NC( =O)CCNC(=O)[C@@H]2CCCCN2[S](=O)(=O)Cc3cc ccc3)cc(OC)c1OC |
(2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide |
| 32311 |  LL8 |
0 | C15 H14 O3 | InChI=1S/C15H14O3/c1-10(1 6)7-15(17)13-4-3-12-9-14( 18-2)6-5-11(12)8-13/h3-6, 8-9H,7H2,1-2H3; HGXDFGVHMYOSDC-UHFFFAOYSA-N |
COc1ccc2cc(ccc2c1)C(=O)CC(C)=O; CC(=O)CC (=O)c1ccc2cc(ccc2c1)OC; O=C(C)CC(=O)c1cc c2c(c1)ccc(OC)c2 |
1-(6-methoxynaphthalen-2-yl)butane-1,3-dione |
| 32312 |  LL9 ZINC000098209117 |
1 | C10 H14 Cl N O4 S | InChI=1S/C10H14ClNO4S/c1- 16-10-3-2-8(6-9(10)11)7-1 2-4-5-17(13,14)15/h2-3,6, 12H,4-5,7H2,1H3,(H,13,14, 15); BLSMHIDLTUGMQS-UHFFFAOYSA-N |
Clc1cc(ccc1OC)CNCCS(=O)(=O)O; COc1ccc(cc 1Cl)CNCCS(=O)(=O)O; COc1ccc(CNCC[S](O)(= O)=O)cc1Cl |
2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid |
| 32313 |  LLA DB02494 |
0 | C9 H10 O3 | InChI=1/C9H10O3/c10-8(9(1 1)12)6-7-4-2-1-3-5-7/h1-5 ,8,10H,6H2,(H,11,12)/t8-/ m0/s1/f/h11H; VOXXWSYKYCBWHO-KMJKUPBBDH |
c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H] (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H]( Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O |
L-2-HYDROXY-3-PHENYL-PROPIONIC ACID |
| 32314 |  LLB ZINC000016052510 |
2 | C29 H29 N O4 S | InChI=1S/C29H29NO4S/c1-19 -12-14-30(15-13-19)16-17- 34-24-9-4-20(5-10-24)28(3 3)27-25-11-8-23(32)18-26( 25)35-29(27)21-2-6-22(31) 7-3-21/h2-11,18-19,31-32H ,12-17H2,1H3; RLOZWABDAGQFIY-UHFFFAOYSA-N |
CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc 34)c5ccc(O)cc5)CC1; CC1CCN(CC1)CCOc2ccc( cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O; O= C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN 4CCC(C)CC4)cc5 |
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone |
| 32315 |  LLC CHEMBL10030 |
2 | C27 H25 N O4 S | InChI=1S/C27H25NO4S/c29-2 0-7-3-19(4-8-20)27-25(23- 12-9-21(30)17-24(23)33-27 )26(31)18-5-10-22(11-6-18 )32-16-15-28-13-1-2-14-28 /h3-12,17,29-30H,1-2,13-1 6H2; JLERVPBPJHKRBJ-UHFFFAOYSA-N |
c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc 4)OCCN5CCCC5)O; Oc1ccc(cc1)c2sc3cc(O)ccc 3c2C(=O)c4ccc(OCCN5CCCC5)cc4; O=C(c1c3cc c(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCC4)c c5 |
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone |
| 32316 |  LLD CHEMBL3902318 |
5 | C21 H25 N3 O5 S | InChI=1S/C21H25N3O5S/c25- 20(18-9-6-11-22-15-18)23- 12-14-29-21(26)19-10-4-5- 13-24(19)30(27,28)16-17-7 -2-1-3-8-17/h1-3,6-9,11,1 5,19H,4-5,10,12-14,16H2,( H,23,25)/t19-/m0/s1; YBYJEZJXJIOQAP-IBGZPJMESA-N |
c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCNC(= O)c3cccnc3; O=C(NCCOC(=O)[C@@H]1CCCCN1[S ](=O)(=O)Cc2ccccc2)c3cccnc3; c1ccc(cc1)C S(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3ccc nc3; O=C(NCCOC(=O)[CH]1CCCCN1[S](=O)(=O) Cc2ccccc2)c3cccnc3 |
2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate |
| 32317 |  LLE |
8 | C23 H39 N2 O13 P S | InChI=1S/C23H39N2O13PS/c1 -14(26)8-15(27)9-16(28)10 -17(29)11-18(30)12-20(32) 40-7-6-24-19(31)4-5-25-22 (34)21(33)23(2,3)13-38-39 (35,36)37/h9-11,20-21,27- 29,32-33,35-37,39H,4-8,12 -13H2,1-3H3,(H,24,31)(H,2 5,34)/b15-9-,16-10-,17-11 -/t20-,21+/m1/s1; FQZZDEAQTCCCMT-XOXVVNQZSA-N |
CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCC NC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O )/O)/O)/O; CC(=O)CC(O)=CC(O)=CC(O)=CC(=O )C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C) CO[PH](O)(O)O; CC(=O)CC(=CC(=CC(=CC(=O)C C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)(O)O )O)O)O)O; CC(=O)C/C(O)=C/C(O)=C/C(O)=C/C (=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@H](O)C( C)(C)CO[PH](O)(O)O |
(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
| 32318 |  LLF ZINC000036470925 |
1 | C10 H13 F2 N2 O5 P | InChI=1S/C10H13F2N2O5P/c1 -6-10(15)8(3-13-4-9(11)12 )7(2-14-6)5-19-20(16,17)1 8/h2-3,9,15H,4-5H2,1H3,(H 2,16,17,18)/b13-3+; OXVHZSPVJUCFDH-QLKAYGNNSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O; FC (F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O; Cc1n cc(CO[P](O)(O)=O)c(C=NCC(F)F)c1O |
(4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE; (E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE |
| 32319 |  LLG DB08115 ZINC000053683366 |
2 | C14 H15 N O2 | InChI=1S/C14H15NO2/c15-8- 9-17-14(16)10-12-6-3-5-11 -4-1-2-7-13(11)12/h1-7H,8 -10,15H2; PDCSQCHNOPNJMK-UHFFFAOYSA-N |
NCCOC(=O)Cc1cccc2ccccc12; c1ccc2c(c1)ccc c2CC(=O)OCCN; O=C(OCCN)Cc2cccc1ccccc12 |
2-aminoethyl naphthalen-1-ylacetate |
| 32320 |  LLH ZINC000002046851 |
10 | C5 H9 N O7 | InChI=1S/C5H9NO7/c7-1(3(9 )5(11)12)2(8)4(10)6-13/h1 -3,7-9,13H,(H,6,10)(H,11, 12)/t1-,2+,3+/m0/s1; DMGBHBFPSRKPBV-ZVHKOUPVSA-N |
ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O; ONC( =O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O; [C@H ]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O; O=C (O)C(O)C(O)C(O)C(=O)NO; C(C(C(=O)NO)O)(C (C(=O)O)O)O |
(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID |
| 32321 |  LLI |
2 | C27 H36 N4 O4 | InChI=1S/C27H36N4O4/c1-34 -23-13-12-19(18-24(23)35- 17-16-30-15-14-28-27(30)3 3)25-21-10-6-7-11-22(21)2 6(32)31(29-25)20-8-4-2-3- 5-9-20/h6-7,12-13,18,20-2 2H,2-5,8-11,14-17H2,1H3,( H,28,33)/t21-,22+/m0/s1; YLCZKQRIIGKMHV-FCHUYYIVSA-N |
COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4) C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1OCCN2C CNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5 CCCCCC5; COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C 4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc1c cc(cc1OCCN2CCNC2=O)C3=NN(C(=O)C4C3CC=CC4 )C5CCCCCC5 |
(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one |
| 32322 |  LLJ |
0 | C32 H44 N4 O2 | InChI=1S/C32H40N4O2/c1-5- 29-6-2-26-18-31(29)17-25( 1)21-33-9-13-37-14-10-35- 23-27-3-7-30-8-4-28(20-32 (30)19-27)24-36-12-16-38- 15-11-34-22-26/h1-8,17-20 ,33-36H,9-16,21-24H2/p+4; GAVOKMJEFXZQJQ-UHFFFAOYSA-R |
O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[ NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5; c1cc 2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5cc c(cc5c4)C[NH2+]CCOCC[NH2+]C2; C1COCC[NH2 +]Cc2ccc3ccc(C[NH2+]CCOCC[NH2+]Cc4ccc5cc c(C[NH2+]1)cc5c4)cc3c2 |
6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene; 2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane |
| 32323 |  LLK |
2 | C15 H14 O2 | InChI=1S/C15H14O2/c1-3-4- 15(16)13-6-5-12-10-14(17- 2)8-7-11(12)9-13/h3-10H,1 -2H3/b4-3+; MDAHFYAQSIDRGG-ONEGZZNKSA-N |
C/C=C/C(=O)c1ccc2cc(ccc2c1)OC; COc1ccc2c c(ccc2c1)C(=O)C=CC; COc1ccc2cc(ccc2c1)C( =O)/C=C/C; CC=CC(=O)c1ccc2cc(ccc2c1)OC; O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C |
(2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one |
| 32324 |  LLL CHEMBL194126 DB04729 ZINC000008216590 |
23 | C19 H39 N5 O7 | InChI=1S/C19H39N5O7/c1-19 (27)7-28-18(13(26)16(19)2 4-2)31-15-11(23)5-10(22)1 4(12(15)25)30-17-9(21)4-3 -8(6-20)29-17/h8-18,24-27 H,3-7,20-23H2,1-2H3/t8-,9 +,10-,11+,12-,13+,14+,15- ,16+,17+,18+,19-/m0/s1; VEGXETMJINRLTH-BOZYPMBZSA-N |
CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH] (N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3N) [CH]2O; O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2 N)C3OCC(O)(C(NC)C3O)C; CC1(COC(C(C1NC)O) OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O; 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@H](O3)CN)N)N)N)O; 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]3O[C@H](CN)CC[C@H]3 N)[C@@H]2O |
(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL; GENTAMICIN C1A |
| 32325 |  LLM CHEMBL155405 ZINC000043422573 |
2 | C30 H42 O7 | InChI=1S/C30H42O7/c1-19-1 2-13-34-23(15-19)10-11-25 (31)27-18-28-30(37-28)26( 32)17-21(3)14-20(2)16-24- 8-4-6-22(35-24)7-5-9-29(3 3)36-27/h4-6,9-12,20,22-2 8,30-32H,3,7-8,13-18H2,1- 2H3/b9-5-,11-10+/t20-,22- ,23+,24-,25-,26-,27-,28-, 30-/m0/s1; MSBQEQDLFWWWMV-XZZGLLCESA-N |
CC1CC2CC=CC(O2)CC=CC(=O)OC(CC3C(O3)C(CC( =C)C1)O)C(C=CC4CC(=CCO4)C)O; C[C@@H]1C[C @@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@@ H]3O[C@H]3[C@@H](O)CC(=C)C1)[C@@H](O)/C= C/[C@@H]4CC(=CCO4)C)O2; O=C3OC(C(O)/C=C/ C1OCC=C(C)C1)CC4OC4C(O)CC(=C)\CC(C)CC2OC (C=CC2)CC=C3; C[C@@H]1C[C@@H]2CC=C[C@H]( O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[ C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CC O4)C)O; C[CH]1C[CH]2CC=C[CH](CC=CC(=O)O[ CH](C[CH]3O[CH]3[CH](O)CC(=C)C1)[CH](O)C =C[CH]4CC(=CCO4)C)O2 |
Laulimalide; (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl }-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one |
| 32326 |  LLN |
2 | C28 H38 N4 O5 | InChI=1S/C28H38N4O5/c33-1 6-18-37-24-12-11-20(19-25 (24)36-17-15-31-14-13-29- 28(31)35)26-22-9-5-6-10-2 3(22)27(34)32(30-26)21-7- 3-1-2-4-8-21/h5-6,11-12,1 9,21-23,33H,1-4,7-10,13-1 8H2,(H,29,35)/t22-,23+/m0 /s1; NSRKPNKUYKBHPD-XZOQPEGZSA-N |
OCCOc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC 4)C(=O)[CH]5CC=CC[CH]35; c1cc(c(cc1C2=NN (C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O) OCCO; c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2 CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO; OCCO c1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)C( =O)[C@@H]5CC=CC[C@H]35 |
(4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one |
| 32327 |  LLO ZINC000066157029 |
0 | C12 H26 N2 O3 | InChI=1S/C12H26N2O3/c1-9( 8-12(2,3)17)14-7-5-4-6-10 (13)11(15)16/h9-10,14,17H ,4-8,13H2,1-3H3,(H,15,16) /t9-,10-/m0/s1; DFHXLOGIWRRFER-UWVGGRQHSA-N |
CC(CC(C)(C)O)NCCCCC(C(=O)O)N; C[C@@H](CC (C)(C)O)NCCCC[C@@H](C(=O)O)N; C[C@@H](CC (C)(C)O)NCCCC[C@H](N)C(O)=O; O=C(O)C(N)C CCCNC(CC(O)(C)C)C; C[CH](CC(C)(C)O)NCCCC [CH](N)C(O)=O |
N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine; 4-Hydroxy-4-Methyl-2-Pentanone |
| 32328 |  LLP DB04083 ZINC000034150380 |
16 | C14 H22 N3 O7 P | InChI=1S/C14H22N3O7P/c1-9 -13(18)11(10(6-17-9)8-24- 25(21,22)23)7-16-5-3-2-4- 12(15)14(19)20/h6-7,12,18 H,2-5,8,15H2,1H3,(H,19,20 )(H2,21,22,23)/b16-7+/t12 -/m0/s1; YQSOQJORMNSDJL-QFULYMJESA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O )=O)c1O; n1c(C)c(O)c(\C=N\CCCCC(N)C(=O)O )c(c1)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=O)( O)O)/C=N/CCCCC(C(=O)O)N)O; Cc1ncc(CO[P]( O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O; Cc1 c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N) O |
(2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid; N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE |
| 32329 |  LLQ ZINC000001603749 |
8 | C3 H8 O5 S | InChI=1S/C3H8O5S/c4-1-3(5 )2-9(6,7)8/h3-5H,1-2H2,(H ,6,7,8)/t3-/m0/s1; YPFUJZAAZJXMIP-VKHMYHEASA-N |
C(C(CS(=O)(=O)O)O)O; C([C@@H](CS(=O)(=O) O)O)O; OC[C@H](O)C[S](O)(=O)=O; OC[CH](O )C[S](O)(=O)=O |
(2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid |
| 32330 |  LLR |
4 | C12 H21 Br N4 S | InChI=1S/C12H21BrN4S/c1-3 -17(4-2)11-6-5-9(7-10(11) 13)8-15-16-12(14)18/h5-7, 12,15-16,18H,3-4,8,14H2,1 -2H3/t12-/m0/s1; RUDWDGHIPWUJQP-LBPRGKRZSA-N |
CCN(CC)c1ccc(cc1Br)CNNC(N)S; CCN(CC)c1cc c(CNN[C@H](N)S)cc1Br; CCN(CC)c1ccc(cc1Br )CNN[C@H](N)S; CCN(CC)c1ccc(CNN[CH](N)S) cc1Br |
(~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol |
| 32331 |  LLS |
3 | C19 H12 Cl2 N4 O3 | InChI=1S/C19H12Cl2N4O3/c1 -8-13(16-9-4-2-3-5-10(9)1 8(27)28-16)17(26)25(24-8) 19-22-12-7-6-11(20)14(21) 15(12)23-19/h2-7,16,26H,1 H3,(H,22,23)/t16-/m0/s1; VIQXILLOJLATEF-INIZCTEOSA-N |
Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[ C@@H]4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[CH]2 OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4 ; Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O )C4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[C@H]2OC (=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4 |
(3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one |
| 32332 |  LLT CHEMBL374731 DB01265 ZINC000000002159 |
3 | C10 H14 N2 O5 | InChI=1S/C10H14N2O5/c1-5- 3-12(10(16)11-9(5)15)8-2- 6(14)7(4-13)17-8/h3,6-8,1 3-14H,2,4H2,1H3,(H,11,15, 16)/t6-,7+,8+/m1/s1; IQFYYKKMVGJFEH-CSMHCCOUSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O; CC1=CN ([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O; O=C 1NC(=O)N(C=C1C)C2OC(C(O)C2)CO; CC1=CN([C @@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O; C C1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2 )CO)O |
L-deoxythymidine; L-thymidine; beta-L-thymidine; L-dT; 2'-deoxy-L-thymidine; 1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
| 32333 |  LLU ZINC000006678532 |
1 | C9 H9 F O3 | InChI=1S/C9H9FO3/c1-6(9(1 1)12)13-8-5-3-2-4-7(8)10/ h2-6H,1H3,(H,11,12)/t6-/m 0/s1; MMWXPDDADHYFFS-LURJTMIESA-N |
C[C@@H](C(=O)O)Oc1ccccc1F; CC(C(=O)O)Oc1 ccccc1F; C[C@H](Oc1ccccc1F)C(O)=O; CC(Oc 1ccccc1F)C(=O)O; C[CH](Oc1ccccc1F)C(O)=O |
(2S)-2-(2-fluorophenoxy)propanoic acid |
| 32334 |  LLV CHEMBL5439384 |
2 | C28 H24 Br F N2 O5 | InChI=1S/C28H24BrFN2O5/c1 -15(28(36)37)31-26(34)25( 32-14-20-12-21(29)8-9-22( 20)27(32)35)11-17-3-5-18( 6-4-17)23-13-19(16(2)33)7 -10-24(23)30/h3-10,12-13, 15,25H,11,14H2,1-2H3,(H,3 1,34)(H,36,37)/t15-,25-/m 0/s1; OIZONSTWGHXIOF-MQNRADLISA-N |
C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2 cc(ccc2F)C(=O)C)N3Cc4cc(ccc4C3=O)Br; C[C H](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C) =O)N3Cc4cc(Br)ccc4C3=O)C(O)=O; CC(C(=O)O )NC(=O)C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3 Cc4cc(ccc4C3=O)Br; C[C@H](NC(=O)[C@H](Cc 1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)cc c4C3=O)C(O)=O |
(2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid |
| 32335 |  LLX CHEMBL271741 ZINC000029126954 |
3 | C19 H16 N2 O | InChI=1S/C19H16N2O/c20-17 -12-11-16(14-7-3-1-4-8-14 )13-18(17)21-19(22)15-9-5 -2-6-10-15/h1-13H,20H2,(H ,21,22); ZWLFHHHQRUYIBT-UHFFFAOYSA-N |
O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3; Nc1cc c(cc1NC(=O)c2ccccc2)c3ccccc3; c1ccc(cc1) c2ccc(c(c2)NC(=O)c3ccccc3)N |
N-(4-aminobiphenyl-3-yl)benzamide |
| 32336 |  LLY DB01815 ZINC000006360448 |
0 | C9 H16 N2 O6 | InChI=1S/C9H16N2O6/c10-5( 7(12)13)3-1-2-4-11-6(8(14 )15)9(16)17/h5-6,11H,1-4, 10H2,(H,12,13)(H,14,15)(H ,16,17)/t5-/m0/s1; XINFXVVRMYBFMI-YFKPBYRVSA-N |
C(CCNC(C(=O)O)C(=O)O)CC(C(=O)O)N; O=C(O) C(C(=O)O)NCCCCC(N)C(=O)O; N[C@@H](CCCCNC (C(O)=O)C(O)=O)C(O)=O; N[CH](CCCCNC(C(O) =O)C(O)=O)C(O)=O; C(CCNC(C(=O)O)C(=O)O)C [C@@H](C(=O)O)N |
NZ-(DICARBOXYMETHYL)LYSINE |
| 32337 |  LLZ ZINC000066157030 |
0 | C21 H28 N2 O4 | InChI=1S/C21H28N2O4/c1-14 (23-10-4-3-5-19(22)21(25) 26)11-20(24)17-7-6-16-13- 18(27-2)9-8-15(16)12-17/h 6-9,12-14,19,23H,3-5,10-1 1,22H2,1-2H3,(H,25,26)/t1 4-,19-/m0/s1; ITVGWHAQSRRMIM-LIRRHRJNSA-N |
CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O) O)N; O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1 )ccc(OC)c2; C[C@@H](CC(=O)c1ccc2cc(ccc2c 1)OC)NCCCC[C@@H](C(=O)O)N; COc1ccc2cc(cc c2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O; CO c1ccc2cc(ccc2c1)C(=O)C[C@H](C)NCCCC[C@H] (N)C(O)=O |
N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine |
| 32338 |  LM0 |
1 | C14 H17 N3 O3 | InChI=1S/C14H17N3O3/c1-9( 18)15-16-14(20)13-7-11-5- 3-4-6-12(11)8-17(13)10(2) 19/h3-6,13H,7-8H2,1-2H3,( H,15,18)(H,16,20)/t13-/m0 /s1; SATVLGDJXZFYJA-ZDUSSCGKSA-N |
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C; CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C; CC(=O )NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O; CC(=O )NNC(=O)C1Cc2ccccc2CN1C(C)=O; CC(=O)NNC( =O)[CH]1Cc2ccccc2CN1C(C)=O |
(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide |
| 32339 |  LM2 CHEMBL1234040 ZINC000016051549 |
1 | C19 H34 N2 O15 | InChI=1S/C19H34N2O15/c1-3 2-15-6(3-23)33-19(12(29)9 (15)26)36-16-7(4-24)34-18 (13(30)10(16)27)35-14-5(2 -22)20-17(21-31)11(28)8(1 4)25/h5-16,18-19,22-31H,2 -4H2,1H3,(H,20,21)/t5-,6- ,7-,8-,9-,10-,11-,12-,13- ,14-,15-,16-,18-,19-/m1/s 1; INFXBQXKGPGIEV-PXPLVWFRSA-N |
CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH] 2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH]( CO)NC(=NO)[CH](O)[CH]3O; O(C1C(O)C(O)C(= N\O)\NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O) C(O)C3O)CO; COC1C(OC(C(C1O)O)OC2C(OC(C(C 2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO; CO[C@ H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C @H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[ C@@H]3[C@@H](CO)NC(=N\O)/[C@H](O)[C@H]3O ; CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O) O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O )O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O) O)CO)CO)CO |
4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE; 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM |
| 32340 |  LM3 CHEMBL4646628 ZINC000095921388 |
1 | C21 H18 N4 | InChI=1S/C21H18N4/c1-25(2 )20-14-19(16-10-12-22-13- 11-16)21(24-23-20)18-9-5- 7-15-6-3-4-8-17(15)18/h3- 14H,1-2H3; GEAPHVHHVPDTKQ-UHFFFAOYSA-N |
CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4; CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34 ; n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc 4 |
N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine |
| 32341 |  LM4 CHEMBL4648060 ZINC000095921387 |
1 | C21 H18 N4 | InChI=1S/C21H18N4/c1-25(2 )20-14-19(16-9-11-22-12-1 0-16)21(24-23-20)18-8-7-1 5-5-3-4-6-17(15)13-18/h3- 14H,1-2H3; ODFGOBPLQKLCRM-UHFFFAOYSA-N |
n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc 4; CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccnc c4; CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc 4c3 |
N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine |
| 32342 |  LM5 ZINC000095920550 |
4 | C13 H18 N2 O3 | InChI=1S/C13H18N2O3/c1-8- 11(16)12(17)10(15-8)13(18 )14-7-9-5-3-2-4-6-9/h2-6, 8,10-12,15-17H,7H2,1H3,(H ,14,18)/t8-,10+,11+,12-/m 0/s1; RJAKCSBNEIOVPB-GMNPVEAJSA-N |
C[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCc2ccccc 2; C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc 2ccccc2)O)O; CC1C(C(C(N1)C(=O)NCc2ccccc2 )O)O; C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)C( =O)NCc2ccccc2; O=C(NCc1ccccc1)C2NC(C)C(O )C2O |
(3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide |
| 32343 |  LM6 ZINC000000034156 |
1 | C7 H13 N3 | InChI=1S/C7H13N3/c1-3-10- 7(6-8-2)4-5-9-10/h4-5,8H, 3,6H2,1-2H3; IPBXAQNEXLMXRW-UHFFFAOYSA-N |
CCn1c(ccn1)CNC; CCn1nccc1CNC | 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine |
| 32344 |  LM7 |
2 | C14 H9 N3 O5 | InChI=1S/C14H9N3O5/c18-12 -6-5-8(7-11(12)17(21)22)1 6-10-4-2-1-3-9(10)13(19)1 5-14(16)20/h1-7,18H,(H,15 ,19,20); YVQCKIRAVMSRGN-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+]( =O)[O-])O; O=[N+]([O-])c1cc(ccc1O)N3c2cc ccc2C(NC3=O)=O; Oc1ccc(cc1[N+]([O-])=O)N 2C(=O)NC(=O)c3ccccc23 |
1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione |
| 32345 |  LM8 ZINC000215992109 |
4 | C21 H34 O2 | InChI=1S/C21H34O2/c1-3-4- 5-11-14-17-20(2)18-15-12- 9-7-6-8-10-13-16-19-21(22 )23/h7-10,14-15,17-18,20H ,3-6,11-13,16,19H2,1-2H3, (H,22,23)/b9-7-,10-8-,17- 14-,18-15-/t20-/m0/s1; PIZRMBAQQYSBSA-URRNNGNDSA-N |
CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC( =O)O; CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)= O; CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O; CCC CC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)= O; O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCC C)C |
(5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid; (5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid |
| 32346 |  LM9 ZINC000000142524 |
1 | C13 H8 Cl2 N4 O | InChI=1S/C13H8Cl2N4O/c14- 8-5-6-12(10(15)7-8)20-11- 4-2-1-3-9(11)13-16-18-19- 17-13/h1-7H,(H,16,17,18,1 9); NUYWOTGHOXXCLV-UHFFFAOYSA-N |
Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1; c1c cc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl; Clc1 ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1 |
(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole |
| 32347 |  LMA ZINC000263620420 |
0 | C43 H74 O15 | InChI=1S/C43H74O15/c1-20- 18-42(13,49)38(47)26(7)36 (54-30(11)45)25(6)35(22(3 )28(9)44)57-40(48)27(8)37 (24(5)34(20)58-41-23(4)32 (50-15)17-21(2)52-41)56-3 3-19-43(14,51-16)39(29(10 )53-33)55-31(12)46/h20-29 ,32-37,39,41,44,49H,17-19 H2,1-16H3/t20-,21+,22+,23 +,24+,25-,26+,27+,28+,29- ,32-,33-,34-,35+,36-,37-, 39+,41-,42-,43+/m0/s1; FIYJFVCGASKYLV-QDYGBMDYSA-N |
CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O) C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C (C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO[CH] 1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C( =O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O )[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C) =O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH] 1C; O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(= O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC 2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C; C[C@ @H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H] (C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC( =O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([ C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H]( C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO [C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C) C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[ C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](O[C@H ]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3) [C@@H]2C)[C@H](C)[C@@H](C)O)[C@@H]1C |
Lankamycin; [(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R, 4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy- 2,4-dimethyl-oxan-3-yl] ethanoate |
| 32348 |  LMB ZINC000098209119 |
5 | C33 H52 O7 | InChI=1S/C33H52O7/c1-9-28 (14-15-29(34)24(5)13-16-3 0(35)36)19-22(3)12-10-11- 21(2)17-25(6)32(39)27(8)3 3(40)26(7)18-23(4)20-31(3 7)38/h10-11,14-15,17,19-2 0,22,24-27,29,33-34,40H,9 ,12-13,16,18H2,1-8H3,(H,3 5,36)(H,37,38)/b11-10+,15 -14+,21-17+,23-20+,28-19- /t22-,24+,25-,26+,27-,29+ ,33-/m1/s1; GCBBLAVMGONVHO-XYERBDPFSA-N |
O=C(O)CCC(C)C(O)/C=C/C(=C\C(C)C/C=C/C(=C /C(C(=O)C(C)C(O)C(C)CC(=C\C(=O)O)\C)C)C) CC; CCC(C=C[CH](O)[CH](C)CCC(O)=O)=C[CH] (C)CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[ CH](C)CC(C)=CC(O)=O; CCC(/C=C/[C@H](O)[C @@H](C)CCC(O)=O)=C/[C@H](C)C/C=C/C(C)=C/ [C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C) CC(/C)=C/C(O)=O; CCC(=CC(C)CC=CC(=CC(C)C (=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC(C(C )CCC(=O)O)O; CC/C(=C/[C@H](C)C/C=C/C(=C/ [C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C /C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H]( C)CCC(=O)O)O |
Leptomycin B, bound form |
| 32349 |  LMC ZINC000058649899 |
4 | C18 H21 N O | InChI=1S/C18H21NO/c1-14(1 2-13-20)8-7-11-17-18(2,3) 15-9-5-6-10-16(15)19(17)4 /h5-13H,1-4H3/b8-7+,14-12 +,17-11+; UGINWNVBXWWHCS-RZZAMGAFSA-N |
CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O; C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C) C; O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C) C; CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C; C N1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O |
(2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal; (2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal |
| 32350 |  LMD ZINC000098209120 |
19 | C26 H50 O11 | InChI=1S/C26H50O11/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-34-25-23(33)21(31)24(1 8(16-28)36-25)37-26-22(32 )20(30)19(29)17(15-27)35- 26/h17-33H,2-16H2,1H3/t17 -,18-,19-,20+,21-,22-,23- ,24-,25-,26-/m1/s1; UKPROSIGWJBJGA-IWODYCRQSA-N |
CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C( C(O2)CO)O)O)O)O)O; CCCCCCCCCCCCCCO[C@H]1 [C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2 [C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O) O; CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H ](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H ]2O)[C@H](O)[C@H]1O; O(CCCCCCCCCCCCCC)C2 OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; CC CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[ CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1 O |
tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside; n-Tetradecyl-b-D-maltopyranosid |
| 32351 |  LME CHEMBL290744 DB03810 ZINC000001672629 |
0 | C6 H11 N O4 | InChI=1S/C6H11NO4/c1-3(2- 4(8)9)5(7)6(10)11/h3,5H,2 ,7H2,1H3,(H,8,9)(H,10,11) /t3-,5+/m1/s1; FHJNAFIJPFGZRI-WUJLRWPWSA-N |
C[C@H](CC(=O)O)[C@@H](C(=O)O)N; C[CH](CC (O)=O)[CH](N)C(O)=O; CC(CC(=O)O)C(C(=O)O )N; O=C(O)C(N)C(CC(=O)O)C; C[C@H](CC(O)= O)[C@H](N)C(O)=O |
(2S,3R)-2-azanyl-3-methyl-pentanedioic acid; (3R)-3-methyl-L-glutamic acid |
| 32352 |  LMF |
0 | C8 H17 N3 O2 S | InChI=1S/C8H17N3O2S/c1-10 -8(14)11-5-3-2-4-6(9)7(12 )13/h6H,2-5,9H2,1H3,(H,12 ,13)(H2,10,11,14); ZRPGWKQIWAUACK-UHFFFAOYSA-N |
CNC(=S)NCCCCC(N)C(O)=O; CNC(=S)NCCCCC(C( =O)O)N; CNC(=S)NCCCC[C@@H](C(=O)O)N |
NZ(N-METHYL THIOFORMAMIDE) LYSINE |
| 32353 |  LMG ZINC000085591647 |
0 | C45 H86 O10 | InChI=1S/C45H86O10/c1-3-5 -7-9-11-13-15-17-19-21-23 -25-27-29-31-33-40(47)52- 36-38(37-53-45-44(51)43(5 0)42(49)39(35-46)55-45)54 -41(48)34-32-30-28-26-24- 22-20-18-16-14-12-10-8-6- 4-2/h38-39,42-46,49-51H,3 -37H2,1-2H3/t38-,39-,42+, 43+,44-,45-/m1/s1; DCLTVZLYPPIIID-CVELTQQQSA-N |
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1 )CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCC CCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO) [CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCC CCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO C1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCCCC; C CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@ @H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O) CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O )OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H ](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC |
1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE |
| 32354 |  LMH |
2 | C31 H55 O9 P | InChI=1S/C31H55O9P/c1-22( 2)11-7-12-23(3)13-8-14-24 (4)15-9-16-25(5)17-10-18- 26(6)19-20-38-41(36,37)40 -31-30(35)29(34)28(33)27( 21-32)39-31/h11,13,15,17, 26-35H,7-10,12,14,16,18-2 1H2,1-6H3,(H,36,37)/b23-1 3+,24-15-,25-17-/t26-,27+ ,28+,29-,30+,31-/m0/s1; AGLXCEGQRIYVRV-HAYNYTLHSA-N |
CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO P(=O)(O)OC1C(C(C(C(O1)CO)O)O)O; C[CH](CC O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O) [CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C ; C[C@H](CCO[P](O)(=O)O[C@@H]1O[C@H](CO) [C@@H](O)[C@H](O)[C@H]1O)CC\C=C(C)/CC\C= C(C)/CC\C=C(C)\CCC=C(C)C; C[C@@H](CC/C=C (/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCO P(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H] (O1)CO)O)O)O |
glucosyl-dolichol phosphate |
| 32355 |  LMI ZINC000408515053 |
1 | C16 H23 N3 O5 | InChI=1S/C16H23N3O5/c1-16 (2,3)24-15(22)17-9-8-13(2 0)18-10-11-4-6-12(7-5-11) 14(21)19-23/h4-7,23H,8-10 H2,1-3H3,(H,17,22)(H,18,2 0)(H,19,21); XZBWQLIYDNHHJF-UHFFFAOYSA-N |
CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)N O |
tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate |
| 32356 |  LMJ |
1 | C21 H23 Br Cl N3 O | InChI=1S/C21H23BrClN3O/c1 -19(2)16-9-21-4-3-5-26(21 )10-20(16,25-18(21)27)8-1 2-11-6-14(23)13(22)7-15(1 1)24-17(12)19/h6-7,16,24H ,3-5,8-10H2,1-2H3,(H,25,2 7)/t16-,20+,21-/m0/s1; HGDDRCCRXJDDLU-DQLDELGASA-N |
CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)CC45C1CC6( CCCN6C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN 3C[C]2(Cc5c1[nH]c6cc(Br)c(Cl)cc56)NC4=O; CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[ nH]c6cc(Br)c(Cl)cc56)NC4=O; C5(C)(C1CC32 C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56) =O)C; CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@ ]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C |
(5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one; isomalbrancheamide D |
| 32357 |  LMK |
25 | C46 H94 N O7 | InChI=1S/C46H93NO7/c1-6-8 -10-12-14-16-18-20-22-24- 26-28-30-32-34-36-44(48)5 3-41-42(40-52-39-38-43(46 (50)51)47(3,4)5)54-45(49) 37-35-33-31-29-27-25-23-2 1-19-17-15-13-11-9-7-2/h4 2-45,48-49H,6-41H2,1-5H3/ p+1/t42-,43+,44+,45-/m0/s 1; BUXLRCGOLVGJEI-LHQLQFMZSA-O |
CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH]( C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCC CCCC; CCCCCCCCCCCCCCCCCC(O)OCC(COCCC(C(= O)O)[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@ H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCC CCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[C @H](COCC[C@H](C(O)=O)[N+](C)(C)C)O[C@H]( O)CCCCCCCCCCCCCCCCC |
trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium |
| 32358 |  LML ZINC000001716647 |
1 | C7 H12 O4 | InChI=1S/C7H12O4/c1-4(2)3 -5(6(8)9)7(10)11/h4-5H,3H 2,1-2H3,(H,8,9)(H,10,11); FTKIARCSSZWRFJ-UHFFFAOYSA-N |
CC(C)CC(C(O)=O)C(O)=O; CC(C)CC(C(=O)O)C( =O)O; O=C(O)C(C(=O)O)CC(C)C |
ISOBUTYL MALONIC ACID |
| 32359 |  LMM CHEMBL3116056 ZINC000095921166 |
2 | C17 H17 F N8 S | InChI=1S/C17H17FN8S/c1-9- 7-27-14-13(9)24-17(22-10( 2)15-19-4-11(18)5-20-15)2 5-16(14)23-12-6-26(3)8-21 -12/h4-8,10H,1-3H3,(H2,22 ,23,24,25)/t10-/m0/s1; DVWTWOHVDUVPJV-JTQLQIEISA-N |
C[C@H](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4 ncc(F)cn4; Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC (C)c4ncc(cn4)F; Fc1cnc(nc1)C(Nc2nc(c3scc (c3n2)C)Nc4ncn(c4)C)C; C[CH](Nc1nc(Nc2cn (C)cn2)c3scc(C)c3n1)c4ncc(F)cn4; Cc1csc2 c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4) F |
N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine |
| 32360 |  LMN |
154 | C47 H88 O22 | InChI=1S/C47H88O22/c1-3-5 -7-9-11-13-15-17-19-47(20 -18-16-14-12-10-8-6-4-2,2 5-62-43-39(60)35(56)41(29 (23-50)66-43)68-45-37(58) 33(54)31(52)27(21-48)64-4 5)26-63-44-40(61)36(57)42 (30(24-51)67-44)69-46-38( 59)34(55)32(53)28(22-49)6 5-46/h27-46,48-61H,3-26H2 ,1-2H3/t27-,28-,29-,30-,3 1-,32-,33+,34+,35-,36-,37 -,38-,39-,40+,41-,42-,43- ,44-,45-,46-/m0/s1; MADJBYLAYPCCOO-XYPZXBMFSA-N |
O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C( OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3O C(CO)C(O)C(O)C3O)C(O)C4O)CO; CCCCCCCCCCC (CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2 O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH ]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO) [CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O; CCCC CCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[ C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O )[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@ @H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O) [C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; CCCC CCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC 2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3) CO)OC4C(C(C(C(O4)CO)O)O)O)O)O; CCCCCCCCC CC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C @H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@ H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H] ([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]( [C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O |
Lauryl Maltose Neopentyl Glycol; 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside |
| 32361 |  LMO |
2 | C24 H46 O11 | InChI=1S/C24H46O11/c1-2-3 -4-5-6-7-8-9-10-11-12-32- 23-21(30)20(29)18(27)16(3 5-23)14-33-24-22(31)19(28 )17(26)15(13-25)34-24/h15 -31H,2-14H2,1H3/t15-,16-, 17+,18-,19+,20+,21-,22-,2 3-,24+/m1/s1; HBVAWIPMNSJELA-RWNQQKCBSA-N |
CCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2 )CO)O)O)O)O)O)O; CCCCCCCCCCCCO[CH]1O[CH] (CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C H](O)[CH](O)[CH]1O; C(OC1C(C(C(C(CO)O1)O )O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O; C CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C @H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H] (O2)CO)O)O)O)O)O)O; CCCCCCCCCCCCO[C@@H]1 O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O )[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside; DDMB; dodecyl melibioside |
| 32362 |  LMP ZINC000034104691 |
11 | C17 H27 N3 O6 S | InChI=1S/C17H27N3O6S/c1-7 -12(11(8(2)21)16(23)24)19 -13(17(25)26)14(7)27-9-5- 10(18-6-9)15(22)20(3)4/h7 -12,14,18,21H,5-6H2,1-4H3 ,(H,23,24)(H,25,26)/t7-,8 -,9+,10+,11-,12-,14+/m1/s 1; CDYPSIIDXKMBLV-CFINEGTKSA-N |
CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(N C2)C(=O)N(C)C; C[C@@H](O)[C@H]([C@@H]1N= C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C) [C@@H]1C)C(O)=O)C(O)=O; C[CH](O)[CH]([CH ]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[C H]1C)C(O)=O)C(O)=O; C[C@H]1[C@@H](C(=N[C @H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@ H]2C[C@H](NC2)C(=O)N(C)C |
(2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid; Hydrolyzed Meropenem |
| 32363 |  LMQ |
0 | C6 H12 N2 O3 | InChI=1S/C6H12N2O3/c1-3(2 -4(7)9)5(8)6(10)11/h3,5H, 2,8H2,1H3,(H2,7,9)(H,10,1 1)/t3-,5-/m0/s1; RWBLYSWJMSKZAL-UCORVYFPSA-N |
C[C@@H](CC(=O)N)[C@@H](C(=O)O)N; C[CH](C C(N)=O)[CH](N)C(O)=O; C[C@@H](CC(N)=O)[C @H](N)C(O)=O; CC(CC(=O)N)C(C(=O)O)N; O=C (N)CC(C)C(N)C(=O)O |
(3S)-3-methyl-L-glutamine; beta-methylglutamine |
| 32364 |  LMR CHEMBL1234046 ZINC000000895074 |
20 | C4 H6 O5 | InChI=1S/C4H6O5/c5-2(4(8) 9)1-3(6)7/h2,5H,1H2,(H,6, 7)(H,8,9)/t2-/m0/s1; BJEPYKJPYRNKOW-REOHCLBHSA-N |
O[CH](CC(O)=O)C(O)=O; C(C(C(=O)O)O)C(=O) O; O[C@@H](CC(O)=O)C(O)=O; C([C@@H](C(=O )O)O)C(=O)O; O=C(O)CC(O)C(=O)O |
(2S)-2-hydroxybutanedioic acid; L-Malate |
| 32365 |  LMS CHEMBL471144 DB02916 |
18 | C10 H14 N6 O6 S | InChI=1S/C10H14N6O6S/c11- 8-5-9(14-2-13-8)16(3-15-5 )10-7(18)6(17)4(22-10)1-2 1-23(12,19)20/h2-4,6-7,10 ,17-18H,1H2,(H2,11,13,14) (H2,12,19,20)/t4-,6-,7-,1 0-/m1/s1; GNZLUJQJDPRUTD-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COS(=O)(=O)N)O)O)N; Nc1ncnc2n(cnc 12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH] 3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S]( N)(=O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n (cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N; O=S( =O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N |
[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE |
| 32366 |  LMT CHEMBL1234047 ZINC000016051829 |
0 | C24 H46 O11 | InChI=1S/C24H46O11/c1-2-3 -4-5-6-7-8-9-10-11-12-32- 23-21(31)19(29)22(16(14-2 6)34-23)35-24-20(30)18(28 )17(27)15(13-25)33-24/h15 -31H,2-14H2,1H3/t15-,16-, 17-,18+,19-,20-,21-,22-,2 3-,24-/m1/s1; NLEBIOOXCVAHBD-QKMCSOCLSA-N |
CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C @H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[ C@H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O 1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCC CCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO) [CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCC CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H] (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H] (O2)CO)O)O)O)O)O; O(CCCCCCCCCCCC)C2OC(C( OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO |
DODECYL-BETA-D-MALTOSIDE |
| 32367 |  LMU CHEMBL1234048 DB03279 ZINC000014253923 |
0 | C24 H46 O11 | InChI=1S/C24H46O11/c1-2-3 -4-5-6-7-8-9-10-11-12-32- 23-21(31)19(29)22(16(14-2 6)34-23)35-24-20(30)18(28 )17(27)15(13-25)33-24/h15 -31H,2-14H2,1H3/t15-,16-, 17-,18+,19-,20-,21-,22-,2 3+,24-/m1/s1; NLEBIOOXCVAHBD-YHBSTRCHSA-N |
CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@ H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C @H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O1 )CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCC CCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[ CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCCC CCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H] (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H] (O2)CO)O)O)O)O)O; O(CCCCCCCCCCCC)C2OC(C( OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO |
DODECYL-ALPHA-D-MALTOSIDE |
| 32368 |  LMV |
2 | C24 H28 Cl2 N2 O4 S | InChI=1S/C24H28Cl2N2O4S/c 1-15(2)14-33(30,31)27-24( 29)17-6-9-22-21(10-17)28( 12-16-4-3-5-16)13-23(32-2 2)19-8-7-18(25)11-20(19)2 6/h6-11,15-16,23H,3-5,12- 14H2,1-2H3,(H,27,29)/t23- /m1/s1; UHSJMFUMFQAOOO-HSZRJFAPSA-N |
CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2) c3ccc(cc3Cl)Cl)CC4CCC4; CC(C)C[S](=O)(=O )NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc (Cl)cc4Cl; CC(C)CS(=O)(=O)NC(=O)c1ccc2c( c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4; CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[C@H](CN(C C3CCC3)c2c1)c4ccc(Cl)cc4Cl |
(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide |
| 32369 |  LMW ZINC000000404661 |
2 | C10 H16 N2 O | InChI=1S/C10H16N2O/c1-2-1 2(7-8-13)10-5-3-9(11)4-6- 10/h3-6,13H,2,7-8,11H2,1H 3; WFXLRLQSHRNHCE-UHFFFAOYSA-N |
CCN(CCO)c1ccc(N)cc1; CCN(CCO)c1ccc(cc1)N | 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol |
| 32370 |  LMY |
1 | C32 H35 F3 N8 O S | InChI=1S/C32H35F3N8OS/c1- 19-20(3-4-26-24(19)9-22(1 2-36)43(26)17-30-14-31(15 -30,16-30)38-18-44)13-42- 7-5-21(6-8-42)39-27-25-10 -23(11-32(33,34)35)45-28( 25)41-29(37-2)40-27/h3-4, 9-10,18,21H,5-8,11,13-17H 2,1-2H3,(H,38,44)(H2,37,3 9,40,41)/t30-,31+; MBFYNGBMAACLAT-QRRGNZNSSA-N |
Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)C N5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F; CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C 6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1 |
~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide |
| 32371 |  LMZ DB04128 ZINC000003871157 |
80 | C9 H14 N4 O7 | InChI=1S/C9H14N4O7/c14-2- 4(16)6(17)3(15)1-10-7-5(1 3-20)8(18)12-9(19)11-7/h3 -4,6,14-17H,1-2H2,(H3,10, 11,12,18,19)/t3-,4+,6-/m0 /s1; YMWIHKCBRFEJMH-RPDRRWSUSA-N |
OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)N C(=O)N1; O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O) C(=O)N1; C([C@@H]([C@@H]([C@@H](CO)O)O)O )NC1=C(C(=O)NC(=O)N1)N=O; OC[C@@H](O)[C@ @H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1; C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N= O |
5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE |
| 32372 |  LN0 ZINC000095921191 |
0 | C18 H32 N2 O6 S | InChI=1S/C18H32N2O6S/c1-5 -6-10-7-11(20(3)8-10)17(2 5)19-12(9(2)21)16-14(23)1 3(22)15(24)18(26-16)27-4/ h10-16,18,22-24H,5-8H2,1- 4H3,(H,19,25)/t10-,11+,12 -,13+,14-,15-,16-,18-/m1/ s1; YZRHYYDECCEWRG-DWVYNAINSA-N |
CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@ H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C( C)=O; CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@ H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)S C)O)O)O)C(=O)C; CCCC1CC(N(C1)C)C(=O)NC(C 2C(C(C(C(O2)SC)O)O)O)C(=O)C; CCC[CH]1C[C H](N(C)C1)C(=O)N[CH]([CH]2O[CH](SC)[CH]( O)[CH](O)[CH]2O)C(C)=O; O=C(C)C(NC(=O)C1 N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O |
methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose; lincomycin, oxidized form |
| 32373 |  LN1 DB08116 ZINC000058639150 |
1 | C22 H22 N2 O9 S | InChI=1S/C22H22N2O9S/c1-2 2(34(31)32,12-33-18(28)9- 13-5-6-16(26)17(27)8-13)1 9(21(29)30)23-20-14(11-25 )10-15-4-2-3-7-24(15)20/h 2-8,10-11,19,23,26-27H,9, 12H2,1H3,(H,29,30)(H,31,3 2)/t19-,22-/m0/s1; DEOZLEGRVHDNKC-UGKGYDQZSA-N |
C[C](COC(=O)Cc1ccc(O)c(O)c1)([CH](Nc2n3c cccc3cc2C=O)C(O)=O)[S](O)=O; C[C@](COC(= O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3 n2cccc3)C=O)[S@@](=O)O; O=C(OCC(S(=O)O)( C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O) c(O)c3; CC(COC(=O)Cc1ccc(c(c1)O)O)(C(C(= O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O; C[C@](CO C(=O)Cc1ccc(O)c(O)c1)([C@@H](Nc2n3ccccc3 cc2C=O)C(O)=O)[S@](O)=O |
(3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine |
| 32374 |  LN2 CHEMBL5417771 |
2 | C28 H25 F N2 O5 | InChI=1S/C28H25FN2O5/c1-1 6(28(35)36)30-26(33)25(31 -15-21-5-3-4-6-22(21)27(3 1)34)13-18-7-9-19(10-8-18 )23-14-20(17(2)32)11-12-2 4(23)29/h3-12,14,16,25H,1 3,15H2,1-2H3,(H,30,33)(H, 35,36)/t16-,25-/m0/s1; TXGHAFIFHKHLOM-LMKMVOKYSA-N |
C[C@H](NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F )C(C)=O)N3Cc4ccccc4C3=O)C(O)=O; C[C@@H]( C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F )C(=O)C)N3Cc4ccccc4C3=O; CC(C(=O)O)NC(=O )C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3Cc4ccc cc4C3=O; C[CH](NC(=O)[CH](Cc1ccc(cc1)c2c c(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O |
(2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid |
| 32375 |  LN3 |
2 | C40 H52 N6 O17 S | InChI=1S/C40H52N6O17S/c47 -29(42-25(18-32(50)51)36( 58)43-26(19-33(52)53)37(5 9)44-27(39(62)63)20-34(54 )55)10-8-6-4-2-1-3-5-7-9- 17-46(22-35(56)57)31(49)1 6-15-30(48)45-40-41-21-28 (64-40)23-11-13-24(14-12- 23)38(60)61/h11-14,21,25- 27H,1-10,15-20,22H2,(H,42 ,47)(H,43,58)(H,44,59)(H, 50,51)(H,52,53)(H,54,55)( H,56,57)(H,60,61)(H,62,63 )(H,41,45,48)/t25-,26-,27 -/m0/s1; GSTABKNLIUJVNF-QKDODKLFSA-N |
c1cc(ccc1c2cnc(s2)NC(=O)CCC(=O)N(CCCCCCC CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC (=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)CC(=O) O)C(=O)O; OC(=O)C[C@H](NC(=O)[C@H](CC(O) =O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCCCC N(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc 2)C(O)=O)C(O)=O; OC(=O)C[CH](NC(=O)[CH]( CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCC CCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2cc c(cc2)C(O)=O)C(O)=O; c1cc(ccc1c2cnc(s2)N C(=O)CCC(=O)N(CCCCCCCCCCCC(=O)NC(CC(=O)O )C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O) CC(=O)O)C(=O)O |
(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid |
| 32376 |  LN4 CHEMBL189354 ZINC000014945139 |
1 | C25 H21 F4 N7 O3 S | InChI=1S/C25H21F4N7O3S/c1 -36(22-11-12-31-23(35-22) 32-17-3-2-4-19(14-17)40(3 0,38)39)18-8-6-16(7-9-18) 33-24(37)34-21-13-15(25(2 7,28)29)5-10-20(21)26/h2- 14H,1H3,(H2,30,38,39)(H,3 1,32,35)(H2,33,34,37); PPTQWMQTXBVAHT-UHFFFAOYSA-N |
CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F) c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N; CN(c1cc c(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc( Nc4cccc(c4)[S](N)(=O)=O)n3 |
1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea |
| 32377 |  LN5 CHEMBL507472 ZINC000040380536 |
2 | C8 H17 N3 O2 | InChI=1S/C8H17N3O2/c1-2-7 (10)11-5-3-4-6(9)8(12)13/ h6H,2-5,9H2,1H3,(H2,10,11 )(H,12,13)/t6-/m0/s1; ZYIBCZWVLDODOL-LURJTMIESA-N |
[H]N=C(CC)NCCCC(C(=O)O)N; CCC(=N)NCCC[C@ H](N)C(O)=O; [H]/N=C(/CC)\NCCC[C@@H](C(= O)O)N; O=C(O)C(N)CCCNC(=[N@H])CC; CCC(=N )NCCC[CH](N)C(O)=O |
N5-(1-iminopropyl)-L-ornithine; (2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid |
| 32378 |  LN6 CHEMBL1234051 ZINC000038812736 |
2 | C10 H21 N3 O2 | InChI=1S/C10H21N3O2/c1-2- 3-6-9(12)13-7-4-5-8(11)10 (14)15/h8H,2-7,11H2,1H3,( H2,12,13)(H,14,15)/t8-/m0 /s1; YJYNJYPKPDAGPU-QMMMGPOBSA-N |
CCCCC(=N)NCCC[C@H](N)C(O)=O; O=C(O)C(N)C CCNC(=[N@H])CCCC; CCCCC(=N)NCCC[CH](N)C( O)=O; CCCCC(=N)NCCCC(C(=O)O)N; [H]/N=C(\ CCCC)/NCCC[C@@H](C(=O)O)N |
N~5~-[(1E)-pentanimidoyl]-L-ornithine; N5-(1-iminopentyl)-L-ornithine |
| 32379 |  LN7 ZINC000058649375 |
2 | C10 H23 N3 O2 | InChI=1S/C10H23N3O2/c1-2- 3-6-9(12)13-7-4-5-8(11)10 (14)15/h8-9,13H,2-7,11-12 H2,1H3,(H,14,15)/t8-,9-/m 0/s1; RLYDQIKERMGUOF-IUCAKERBSA-N |
CCCC[CH](N)NCCC[CH](N)C(O)=O; O=C(O)C(N) CCCNC(N)CCCC; CCCCC(N)NCCCC(C(=O)O)N; CC CC[C@@H](N)NCCC[C@@H](C(=O)O)N; CCCC[C@@ H](N)NCCC[C@H](N)C(O)=O |
N~5~-[(1S)-1-aminopentyl]-L-ornithine |
| 32380 |  LN8 |
0 | C6 H14 Cl2 N2 Pt | InChI=1S/C6H14N2.2ClH.Pt/ c7-5-1-2-6(8)4-3-5;;;/h5- 6H,1-4,7-8H2;2*1H;/q;;;+4 /p-2/t5-,6+;;;; CPGREGRXVKABHL-UOXVPMNTSA-L |
C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl; NC1C CC(N)CC1.Cl[Pt]Cl |
Kiteplatin |
| 32381 |  LN9 CHEMBL245067 DB16771 ZINC000003875408 |
1 | C21 H24 O10 | InChI=1S/C21H24O10/c22-9- 16-18(27)19(28)20(29)21(3 1-16)30-15-8-12(24)7-14(2 6)17(15)13(25)6-3-10-1-4- 11(23)5-2-10/h1-2,4-5,7-8 ,16,18-24,26-29H,3,6,9H2/ t16-,18-,19+,20-,21-/m1/s 1; IOUVKUPGCMBWBT-QNDFHXLGSA-N |
c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3) CO)O)O)O)O)O)O; OC[CH]1O[CH](Oc2cc(O)cc( O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH ]1O; c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C @@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O) O; OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)C Cc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O |
1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one; Phlorizin |
| 32382 |  LNA ZINC000004654921 |
2 | C18 H31 N O4 | InChI=1S/C18H31NO4/c1-2-3 -4-5-8-11-14-17(19(22)23) 15-12-9-6-7-10-13-16-18(2 0)21/h8,11,15H,2-7,9-10,1 2-14,16H2,1H3,(H,20,21)/b 11-8-,17-15+; LELVHAQTWXTCLY-XYWKCAQWSA-N |
CCCCC\C=C/CC(=C/CCCCCCCC(O)=O)\[N+]([O-] )=O; CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+ ](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(=O)O)[N +](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(O)=O)[ N+]([O-])=O; [O-][N+](=O)/C(=C/CCCCCCCC( =O)O)C\C=C/CCCCC |
(9E,12Z)-10-nitrooctadeca-9,12-dienoic acid |
| 32383 |  LNB CHEMBL554608 |
2 | C18 H31 N O4 | InChI=1S/C18H31NO4/c1-2-3 -4-11-14-17(19(22)23)15-1 2-9-7-5-6-8-10-13-16-18(2 0)21/h9,12,14H,2-8,10-11, 13,15-16H2,1H3,(H,20,21)/ b12-9-,17-14+; ZYFTUIURWQWFKQ-QIAGQCQHSA-N |
O=C(O)CCCCCCC/C=C\CC(=C/CCCCC)\[N+]([O-] )=O; CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O) [O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N +](=O)[O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(O) =O)[N+]([O-])=O; CCCCCC=C(CC=CCCCCCCCC(O )=O)[N+]([O-])=O |
(9Z,12E)-12-nitrooctadeca-9,12-dienoic acid |
| 32384 |  LNC |
2 | C25 H33 N7 O17 P2 | InChI=1S/C25H33N7O17P2/c2 6-20-15-22(29-8-28-20)32( 9-30-15)24-19(37)17(35)14 (48-24)7-46-51(43,44)49-5 0(41,42)45-6-13-16(34)18( 36)23(47-13)31-4-10(1-2-1 2(33)25(39)40)3-11(5-31)2 1(27)38/h3-5,8-9,12-14,16 -19,23-24,33-37H,1-2,6-7H 2,(H6-,26,27,28,29,38,39, 40,41,42,43,44)/t12-,13+, 14+,16+,17+,18+,19+,23+,2 4+/m0/s1; PLMTVPOYALSQOL-AMUFZZJCSA-N |
c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]( [C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[ C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc 5N)O)O)O)O)CC[C@@H](C(=O)O)O; NC(=O)c1cc (CC[C@H](O)C(O)=O)c[n+](c1)[C@@H]2O[C@H] (CO[P@@](O)(=O)O[P]([O-])(=O)OC[C@H]3O[C @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C @@H](O)[C@H]2O; c1c(c[n+](cc1C(=O)N)C2C( C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O 3)n4cnc5c4ncnc5N)O)O)O)O)CCC(C(=O)O)O; N C(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2 O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O [CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH] (O)[CH]2O |
(3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE; S-LAC-NAD+ |
| 32385 |  LND CHEMBL3139900 ZINC000103254401 |
10 | C13 H16 N5 O2 | InChI=1S/C13H15N5O2/c14-1 3(19)11-2-7-17(8-3-11)5-1 -6-18-9-4-15-12(18)10-16- 20/h2-4,7-10H,1,5-6H2,(H2 -,14,15,19,20)/p+1; AEYBMKVDFNSVJO-UHFFFAOYSA-O |
c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O; c1[ n+](ccc(c1)C(N)=O)CCCn2c(ncc2)\C=N\O; NC (=O)c1cc[n+](CCCn2ccnc2C=NO)cc1; c1c[n+] (ccc1C(=O)N)CCCn2ccnc2C=NO; NC(=O)c1cc[n +](CCCn2ccnc2\C=N\O)cc1 |
4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium |
| 32386 |  LNE ZINC000019426329 |
0 | C8 H18 N2 O | InChI=1S/C8H18N2O/c1-4-10 -8(11)7(9)5-6(2)3/h6-7H,4 -5,9H2,1-3H3,(H,10,11)/t7 -/m0/s1; ODAKRYUDLXZGCT-ZETCQYMHSA-N |
CCNC(=O)[C@H](CC(C)C)N; CCNC(=O)C(CC(C)C )N; CCNC(=O)[C@@H](N)CC(C)C; CCNC(=O)[CH ](N)CC(C)C; O=C(NCC)C(N)CC(C)C |
N-ethyl-L-leucinamide |
| 32387 |  LNF |
0 | C32 H38 N4 O | InChI=1S/C32H36N4O/c1-6-3 6(7-2)20-10-19-33-32(37)2 4-17-15-23(16-18-24)27-25 -13-9-12-22(4)30(25)35(5) 31-26-14-8-11-21(3)28(26) 34-29(27)31/h8-9,11-18H,6 -7,10,19-20H2,1-5H3,(H,33 ,37)/p+2; WLKGFBFIAFQINR-UHFFFAOYSA-P |
CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c 3[n+](c4c2[nH]c5c4cccc5C)C)C; CC[NH+](CC )CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c 3[n+](C)c5c(C)cccc25 |
diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium; 4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium |
| 32388 |  LNG ZINC000098209123 |
0 | C14 H26 O2 | InChI=1S/C14H26O2/c1-13(2 )11-9-7-5-3-4-6-8-10-12-1 4(15)16/h8,10,13H,3-7,9,1 1-12H2,1-2H3,(H,15,16)/b1 0-8-; CPJZLQGGCFWOAA-NTMALXAHSA-N |
CC(C)CCCCCCCC=CCC(=O)O; CC(C)CCCCCCCC=CC C(O)=O; O=C(O)C\C=C/CCCCCCCC(C)C; CC(C)C CCCCCC/C=C\CC(=O)O; CC(C)CCCCCCC\C=C/CC( O)=O |
Delta-3isotetradecenoic acid |
| 32389 |  LNH CHEMBL2062585 ZINC000084652413 |
1 | C23 H21 N7 O3 | InChI=1S/C23H21N7O3/c1-13 (31)26-16-4-5-20-17(8-16) 18(12-29(20)7-6-22(32)33) 19-9-21(27-15-2-3-15)30-2 3(28-19)14(10-24)11-25-30 /h4-5,8-9,11-12,15,27H,2- 3,6-7H2,1H3,(H,26,31)(H,3 2,33); FXZDYVDTIVZZCX-UHFFFAOYSA-N |
O=C(O)CCn5c1ccc(NC(=O)C)cc1c(c2nc4c(C#N) cnn4c(c2)NC3CC3)c5; CC(=O)Nc1ccc2c(c1)c( cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5 ; CC(=O)Nc1ccc2n(CCC(O)=O)cc(c3cc(NC4CC4 )n5ncc(C#N)c5n3)c2c1 |
3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid |
| 32390 |  LNI |
4 | C5 H11 O3 S | InChI=1S/C5H10O3S/c1-9(2, 8)4-3-5(6)7/h3-4H2,1-2H3/ p+1; LEKODCUQHSSNES-UHFFFAOYSA-O |
C[S+](=O)(C)CCC(=O)O; C[S+](C)(=O)CCC(O) =O |
3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid; Dimethylsulfoxonium propionate |
| 32391 |  LNJ CHEMBL4476527 |
3 | C17 H16 N2 O S | InChI=1S/C17H16N2OS/c1-20 -15-8-4-13(5-9-15)10-12-2 -6-14(7-3-12)16-11-21-17( 18)19-16/h2-9,11H,10H2,1H 3,(H2,18,19); GGCCOFFVKJCRKJ-UHFFFAOYSA-N |
c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC; COc1c cc(Cc2ccc(cc2)c3csc(N)n3)cc1; COc1ccc(cc 1)Cc2ccc(cc2)c3csc(n3)N |
4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine |
| 32392 |  LNK CHEMBL16102 ZINC000001698513 |
2 | C5 H12 | InChI=1S/C5H12/c1-3-5-4-2 /h3-5H2,1-2H3; OFBQJSOFQDEBGM-UHFFFAOYSA-N |
CCCCC | PENTANE |
| 32393 |  LNL CHEMBL8739 DB00132 ZINC000003802189 |
24 | C18 H30 O2 | InChI=1S/C18H30O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18(19)20/h3-4, 6-7,9-10H,2,5,8,11-17H2,1 H3,(H,19,20)/b4-3-,7-6-,1 0-9-; DTOSIQBPPRVQHS-PDBXOOCHSA-N |
O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC; CCC=CC C=CCC=CCCCCCCCC(O)=O; CC\C=C/C/C=C\C\C=C /CCCCCCCC(O)=O; CCC=CCC=CC\C=C/CCCCCCCC( =O)O; CCC=CCC=CCC=CCCCCCCCC(=O)O |
ALPHA-LINOLENIC ACID |
| 32394 |  LNM ZINC000019509929 |
0 | C7 H16 N2 O | InChI=1S/C7H16N2O/c1-5(2) 4-6(8)7(10)9-3/h5-6H,4,8H 2,1-3H3,(H,9,10)/t6-/m0/s 1; LIBDTAYIDBPBRN-LURJTMIESA-N |
CC(C)CC(C(=O)NC)N; CNC(=O)[CH](N)CC(C)C; CNC(=O)[C@@H](N)CC(C)C; O=C(NC)C(N)CC(C )C; CC(C)C[C@@H](C(=O)NC)N |
N-methyl-L-leucinamide |
| 32395 |  LNN CHEMBL3809271 ZINC000062720064 |
1 | C14 H12 O3 | InChI=1S/C14H12O3/c15-13- 7-6-10(9-14(16)17)8-12(13 )11-4-2-1-3-5-11/h1-8,15H ,9H2,(H,16,17); QSTRNCHHKMCZKJ-UHFFFAOYSA-N |
OC(=O)Cc1ccc(O)c(c1)c2ccccc2; c1ccc(cc1) c2cc(ccc2O)CC(=O)O; c1(ccc(CC(O)=O)cc1c2 ccccc2)O |
(6-hydroxybiphenyl-3-yl)acetic acid |
| 32396 |  LNO CHEMBL303296 DB03308 ZINC000002522572 |
1 | C6 H14 N2 O2 | InChI=1S/C6H14N2O2/c1-4(2 )3-5(7)6(9)8-10/h4-5,10H, 3,7H2,1-2H3,(H,8,9)/t5-/m 0/s1; UJJHPFLWSVFLBE-YFKPBYRVSA-N |
CC(C)C[CH](N)C(=O)NO; CC(C)CC(C(=O)NO)N; CC(C)C[C@@H](C(=O)NO)N; O=C(NO)C(N)CC(C )C; CC(C)C[C@H](N)C(=O)NO |
L-LEUCYL-HYDROXYLAMINE |
| 32397 |  LNP ZINC000095920578 |
4 | C33 H54 O | InChI=1S/C33H54O/c1-22(2) 9-8-10-23(3)25-16-20-33(2 1-24-11-12-24)27-13-14-28 -30(4,5)29(34)17-18-31(28 ,6)26(27)15-19-32(25,33)7 /h13,21-23,25-26,28-29,34 H,8-12,14-20H2,1-7H3/t23- ,25-,26-,28-,29+,31-,32-, 33-/m1/s1; JMJLBCGVSMHFQK-SIDBGHOXSA-N |
CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC( C4(C)C)O)C)C)C=C5CC5; OC5C(C1C(C3C(=CC1) C4(\C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4 )(C)CC5)(C)C; CC(C)CCC[CH](C)[CH]1CC[C]2 (C=C3CC3)C4=CC[CH]5C(C)(C)[CH](O)CC[C]5( C)[CH]4CC[C]12C; CC(C)CCC[C@@H](C)[C@H]1 CC[C@@]2(C=C3CC3)C4=CC[C@@H]5C(C)(C)[C@@ H](O)CC[C@]5(C)[C@@H]4CC[C@]12C; C[C@H]( CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3 C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C) C=C5CC5 |
(3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol |
| 32398 |  LNQ DB03077 ZINC000100032834 |
3 | C14 H24 N2 O5 | InChI=1S/C14H24N2O5/c1-2- 5-19-7-9-21-10-8-20-6-3-4 -16-12-11(15)13(17)14(12) 18/h16H,2-10,15H2,1H3; ZUVPNXOKAPTNLU-UHFFFAOYSA-N |
CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O; CCCOCCOC COCCCNC1=C(C(=O)C1=O)N; O=C1C(N)=C(NCCCO CCOCCOCCC)C1=O |
3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE |
| 32399 |  LNR CHEMBL1437 DB00368 ZINC000000057624 |
16 | C8 H11 N O3 | InChI=1S/C8H11NO3/c9-4-8( 12)5-1-2-6(10)7(11)3-5/h1 -3,8,10-12H,4,9H2/t8-/m0/ s1; SFLSHLFXELFNJZ-QMMMGPOBSA-N |
c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc( cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1 |
L-NOREPINEPHRINE; NORADRENALINE |
| 32400 |  LNS ZINC000036756677 |
1 | C8 H8 N2 O3 | InChI=1S/C8H8N2O3/c1-9-7( 11)5-3-2-4-6(10-5)8(12)13 /h2-4H,1H3,(H,9,11)(H,12, 13); NPBRDFPBRHOBAK-UHFFFAOYSA-N |
CNC(=O)c1cccc(n1)C(O)=O; CNC(=O)c1cccc(n 1)C(=O)O; OC(=O)c1cccc(n1)C(=O)NC |
6-(methylcarbamoyl)pyridine-2-carboxylic acid |