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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 17201 |  A1JAM |
0 | C20 H26 N2 O2 S2 | InChI=1S/C20H26N2O2S2/c1- 21-9-4-10-25-14-18-7-3-8- 19(22-18)15-26-13-17-6-2- 5-16(11-17)12-20(23)24/h2 -3,5-8,11,21H,4,9-10,12-1 5H2,1H3,(H,23,24); RGFIPOHCCVLJIG-UHFFFAOYSA-N |
CNCCCSCc1cccc(CSCc2cccc(CC(O)=O)c2)n1; C NCCCSCc1cccc(n1)CSCc2cccc(c2)CC(=O)O |
2-[3-[[6-[3-(methylamino)propylsulfanylmethyl]pyridin-2-yl]methylsulfanylmethyl]phenyl]ethanoic acid |
| 17202 |  A1JAN |
18 | C45 H94 N O6 P | InChI=1S/C45H94NO6P/c1-37 (2)17-11-19-39(5)21-13-23 -41(7)25-15-27-43(9)29-32 -49-35-45(36-52-53(47,48) 51-34-31-46)50-33-30-44(1 0)28-16-26-42(8)24-14-22- 40(6)20-12-18-38(3)4/h37- 45H,11-36,46H2,1-10H3,(H, 47,48)/t39-,40-,41-,42-,4 3-,44-,45+/m1/s1; YCISYUZWCSTBCY-FQWNWDHISA-N |
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)C COC[C@@H](COP(=O)(O)OCCN)OCC[C@H](C)CCC[ C@H](C)CCC[C@H](C)CCCC(C)C; CC(C)CCCC(C) CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCCN)OCCC( C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)CCC[CH](C )CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(= O)OCCN)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCC C(C)C; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[ C@@H](C)CCOC[C@@H](CO[P](O)(=O)OCCN)OCC[ C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C |
Archaetidylethanolamine; 2-azanylethyl [(2~{S})-2,3-bis[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecoxy]propyl] hydrogen phosphate |
| 17203 |  A1JAO |
22 | C49 H99 O12 P | InChI=1S/C49H99O12P/c1-35 (2)17-11-19-37(5)21-13-23 -39(7)24-15-26-41(9)28-31 -58-33-42(34-60-62(56,57) 61-48-46(53)44(51)43(50)4 5(52)47(48)54)59-32-30-49 (10,55)29-16-27-40(8)25-1 4-22-38(6)20-12-18-36(3)4 /h35-48,50-55H,11-34H2,1- 10H3,(H,56,57)/t37-,38-,3 9-,40-,41-,42+,43-,44-,45 +,46-,47-,48-,49-/m1/s1; BIMQTAPDDPVEMF-GDTUEYJVSA-N |
C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)C COC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C @H]([C@H]1O)O)O)O)O)OCC[C@@](C)(CCC[C@H] (C)CCC[C@H](C)CCCC(C)C)O; CC(C)CCCC(C)CC CC(C)CCCC(C)CCOCC(COP(=O)(O)OC1C(C(C(C(C 1O)O)O)O)O)OCCC(C)(CCCC(C)CCCC(C)CCCC(C) C)O; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@ @H](C)CCOC[C@@H](CO[P](O)(=O)O[C@@H]1[C@ H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC C[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C) C; CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[ CH](O)[CH](O)[CH]1O)OCC[C](C)(O)CCC[CH]( C)CCC[CH](C)CCCC(C)C |
Archaetidylinositol; [(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] [(2~{S})-3-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecoxy]-2-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propyl] hydrogen phosphate |
| 17204 |  A1JAP |
42 | C46 H94 N O9 P | InChI=1S/C46H94NO9P/c1-36 (2)17-11-19-38(5)21-13-23 -40(7)24-15-26-42(9)28-31 -53-33-43(34-55-57(51,52) 56-35-44(47)45(48)49)54-3 2-30-46(10,50)29-16-27-41 (8)25-14-22-39(6)20-12-18 -37(3)4/h36-44,50H,11-35, 47H2,1-10H3,(H,48,49)(H,5 1,52)/t38-,39-,40-,41-,42 -,43+,44+,46-/m1/s1; YALRQOMGANIIQK-QQLPJPLTSA-N |
CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)( O)OCC(C(=O)O)N)OCCC(C)(CCCC(C)CCCC(C)CCC C(C)C)O; CC(C)CCC[CH](C)CCC[CH](C)CCC[CH ](C)CCOC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O )OCC[C](C)(O)CCC[CH](C)CCC[CH](C)CCCC(C) C; C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H]( C)CCOC[C@@H](COP(=O)(O)OC[C@@H](C(=O)O)N )OCC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC( C)C)O; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[ C@@H](C)CCOC[C@@H](CO[P](O)(=O)OC[C@H](N )C(O)=O)OCC[C@](C)(O)CCC[C@H](C)CCC[C@H] (C)CCCC(C)C |
2-Hydroxy-archaetidylinositol; (2~{S})-2-azanyl-3-[oxidanyl-[(2~{S})-3-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethylhexadecoxy]-2-[(3~{R},7~{R},11~{R})-3,7,11,15-tetramethyl-3-oxidanyl-hexadecoxy]propoxy]phosphoryl]oxy-propanoic acid |
| 17205 |  A1JAQ |
0 | C6 H13 N O4 | InChI=1S/C6H13NO4/c1-2-3( 8)4(9)5(10)6(7)11-2/h2-6, 8-10H,7H2,1H3/t2-,3+,4+,5 -,6-/m0/s1; UTVXFQMLZSPQLB-KGJVWPDLSA-N |
C[C@@H]1O[C@H](N)[C@@H](O)[C@H](O)[C@@H] 1O; CC1C(C(C(C(O1)N)O)O)O; C[CH]1O[CH](N )[CH](O)[CH](O)[CH]1O; C[C@H]1[C@H]([C@H ]([C@@H]([C@H](O1)N)O)O)O |
1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose; 1-amino-1-deoxy-b-L-fucopyranoside; beta-L-fucopyranosylamine |
| 17206 |  A1JAT |
1 | C23 H19 F6 N O2 | InChI=1S/C23H19F6NO2/c24- 22(25,26)14-6-13(7-15(9-1 4)23(27,28)29)20-19-11-2- 1-10(5-11)18(19)16-4-3-12 (21(31)32)8-17(16)30-20/h 3-4,6-11,18-20,30H,1-2,5H 2,(H,31,32)/t10-,11+,18-, 19-,20+/m1/s1; GGGBDYORXLHJAW-JMDSXHSASA-N |
OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH ](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F; c1 cc2c(cc1C(=O)O)N[C@H]([C@H]3[C@@H]2[C@@H ]4CC[C@H]3C4)c5cc(cc(c5)C(F)(F)F)C(F)(F) F; OC(=O)c1ccc2[C@H]3[C@@H]4CC[C@@H](C4) [C@H]3[C@@H](Nc2c1)c5cc(cc(c5)C(F)(F)F)C (F)(F)F; c1cc2c(cc1C(=O)O)NC(C3C2C4CCC3C 4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
(6R,6aR,7S,10R,10aS)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid |
| 17207 |  A1JAY |
0 | C10 H10 F3 N O2 | InChI=1S/C10H10F3NO2/c11- 10(12,13)9(16)14-8-3-1-7( 2-4-8)5-6-15/h1-4,15H,5-6 H2,(H,14,16); ZEZDUYNOZBHUCD-UHFFFAOYSA-N |
OCCc1ccc(NC(=O)C(F)(F)F)cc1; c1cc(ccc1CC O)NC(=O)C(F)(F)F |
2,2,2-tris(fluoranyl)-~{N}-[4-(2-hydroxyethyl)phenyl]ethanamide; 2-(4-trifluoroacetamidophenyl)ethanol |
| 17208 |  A1JB0 |
8 | C19 H21 N5 O7 S2 | InChI=1S/C19H21N5O7S2/c25 -15-4-2-13(12-16(15)26)32 (27,28)23-8-10-24(11-9-23 )33(29,30)17-5-3-14(22-6- 1-7-22)18-19(17)21-31-20- 18/h2-5,12,25-26H,1,6-11H 2; HIINGPSSMGMGTI-UHFFFAOYSA-N |
Oc1ccc(cc1O)[S](=O)(=O)N2CCN(CC2)[S](=O) (=O)c3ccc(N4CCC4)c5nonc35; c1cc(c(cc1S(= O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c4c3non4) N5CCC5)O)O |
4-[4-[[7-(azetidin-1-yl)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol; HIINGPSSMGMGTI-UHFFFAOYSA-N |
| 17209 |  A1JB1 |
3 | C28 H26 N6 O8 S2 | InChI=1S/C28H26N6O8S2/c1- 41-19-7-11-21(12-8-19)43( 37,38)33(17-27-29-31-32-3 0-27)25-15-16-26(24-6-4-3 -5-23(24)25)34(18-28(35)3 6)44(39,40)22-13-9-20(42- 2)10-14-22/h3-16H,17-18H2 ,1-2H3,(H,35,36)(H,29,30, 31,32); PKLJOBSFVPZDAS-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)N(Cc2[nH]nnn2)c3ccc (c4c3cccc4)N(CC(=O)O)S(=O)(=O)c5ccc(cc5) OC; COc1ccc(cc1)[S](=O)(=O)N(CC(O)=O)c2c cc(N(Cc3[nH]nnn3)[S](=O)(=O)c4ccc(OC)cc4 )c5ccccc25 |
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)amino]naphthalen-1-yl]amino]ethanoic acid |
| 17210 |  A1JB2 |
4 | C23 H24 N6 O7 S2 | InChI=1S/C23H24N6O7S2/c1- 27(2)17-5-6-20(23-22(17)2 5-36-26-23)37(32,33)28-8- 10-29(11-9-28)38(34,35)21 -13-19(31)18(30)12-16(21) 15-4-3-7-24-14-15/h3-7,12 -14,30-31H,8-11H2,1-2H3; DEHSUWFLXFTDPH-UHFFFAOYSA-N |
CN(C)c1ccc(c2c1non2)S(=O)(=O)N3CCN(CC3)S (=O)(=O)c4cc(c(cc4c5cccnc5)O)O; CN(C)c1c cc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S](=O) (=O)c4cc(O)c(O)cc4c5cccnc5 |
4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonyl-5-pyridin-3-yl-benzene-1,2-diol; DEHSUWFLXFTDPH-UHFFFAOYSA-N |
| 17211 |  A1JB3 |
8 | C16 H17 N5 O7 S2 | InChI=1S/C16H17N5O7S2/c17 -11-2-4-14(16-15(11)18-28 -19-16)30(26,27)21-7-5-20 (6-8-21)29(24,25)10-1-3-1 2(22)13(23)9-10/h1-4,9,22 -23H,5-8,17H2; BEHXKSOMSFVUBW-UHFFFAOYSA-N |
Nc1ccc(c2nonc12)[S](=O)(=O)N3CCN(CC3)[S] (=O)(=O)c4ccc(O)c(O)c4; c1cc(c(cc1S(=O)( =O)N2CCN(CC2)S(=O)(=O)c3ccc(c4c3non4)N)O )O |
4-[4-[(7-azanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol; BEHXKSOMSFVUBW-UHFFFAOYSA-N |
| 17212 |  A1JB4 |
1 | C27 H27 Cl F3 N5 O3 | InChI=1S/C27H27ClF3N5O3/c 28-22-13-17(3-6-24(22)39- 27(29,30)31)15-33-8-1-2-1 1-38-12-10-35-26-20-7-9-3 4-16-21(20)19-5-4-18(25(3 2)37)14-23(19)36-26/h3-7, 9,13-14,16,33H,1-2,8,10-1 2,15H2,(H2,32,37)(H,35,36 ); KFSMADUCMQUOPB-UHFFFAOYSA-N |
NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(OC(F )(F)F)c(Cl)c3)c4ccncc24; c1cc(c(cc1CNCCC COCCNc2c3ccncc3c4ccc(cc4n2)C(=O)N)Cl)OC( F)(F)F |
5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
| 17213 |  A1JB9 |
4 | C22 H26 Cl N3 O6 S | InChI=1S/C22H26ClN3O6S/c1 -31-17-5-3-16(4-6-17)14-2 4-22(28)20-15-25(21(27)13 -23)11-12-26(20)33(29,30) 19-9-7-18(32-2)8-10-19/h3 -10,20H,11-15H2,1-2H3,(H, 24,28)/t20-/m1/s1; SXQZEMXQTRNLRZ-HXUWFJFHSA-N |
COc1ccc(CNC(=O)[C@H]2CN(CCN2[S](=O)(=O)c 3ccc(OC)cc3)C(=O)CCl)cc1; COc1ccc(cc1)CN C(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC)C(=O )CCl; COc1ccc(CNC(=O)[CH]2CN(CCN2[S](=O) (=O)c3ccc(OC)cc3)C(=O)CCl)cc1 |
4-(2-chloranylethanoyl)-~{N}-[(4-methoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxamide |
| 17214 |  A1JBC |
1 | C6 H5 Cl2 N O2 S | InChI=1S/C6H5Cl2NO2S/c7-5 -2-1-4(3-6(5)8)12(9,10)11 /h1-3H,(H2,9,10,11); ILLSOONBCBUBOD-UHFFFAOYSA-N |
c1cc(c(cc1S(=O)(=O)N)Cl)Cl; N[S](=O)(=O) c1ccc(Cl)c(Cl)c1 |
3,4-dichlorobenzenesulfonamide; 3,4-bis(chloranyl)benzenesulfonamide |
| 17215 |  A1JBI CHEMBL6068074 DB21667 |
1 | C24 H25 Cl N4 O5 | InChI=1S/C24H25ClN4O5/c1- 31-23-16(25)3-2-4-18(23)2 9-22-20-17(6-8-27-24(20)3 0)28-21(22)15-5-7-26-11-1 9(15)34-13-14-12-32-9-10- 33-14/h2-5,7,11,14,28-29H ,6,8-10,12-13H2,1H3,(H,27 ,30)/t14-/m0/s1; VYQVHWNNPKOJEA-AWEZNQCLSA-N |
COc1c(cccc1Cl)Nc2c3c([nH]c2c4ccncc4OCC5C OCCO5)CCNC3=O; COc1c(cccc1Cl)Nc2c3c([nH] c2c4ccncc4OC[C@@H]5COCCO5)CCNC3=O; COc1c (Cl)cccc1Nc2c([nH]c3CCNC(=O)c23)c4ccncc4 OC[C@@H]5COCCO5; COc1c(Cl)cccc1Nc2c([nH] c3CCNC(=O)c23)c4ccncc4OC[CH]5COCCO5 |
3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-[3-[[(2~{S})-1,4-dioxan-2-yl]methoxy]pyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
| 17216 |  A1JBJ |
1 | C26 H21 F3 N8 S | InChI=1S/C26H21F3N8S/c1-3 7-24-21(15-32-37)23(31-14 -16-5-4-10-30-13-16)35-22 (36-24)17-6-2-8-19(11-17) 33-25(38)34-20-9-3-7-18(1 2-20)26(27,28)29/h2-13,15 H,14H2,1H3,(H,31,35,36)(H 2,33,34,38); UPEIYMKISINCQK-UHFFFAOYSA-N |
Cn1ncc2c(NCc3cccnc3)nc(nc12)c4cccc(NC(=S )Nc5cccc(c5)C(F)(F)F)c4; Cn1c2c(cn1)c(nc (n2)c3cccc(c3)NC(=S)Nc4cccc(c4)C(F)(F)F) NCc5cccnc5 |
1-[3-[1-methyl-4-(pyridin-3-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea |
| 17217 |  A1JBK |
4 | C16 H14 O5 | InChI=1S/C16H14O5/c1-20-1 1-4-2-9(3-5-11)14-8-13(19 )16-12(18)6-10(17)7-15(16 )21-14/h2-7,14,17-18H,8H2 ,1H3/t14-/m1/s1; HMUJXQRRKBLVOO-CQSZACIVSA-N |
COc1ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2; COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)O)O; C Oc1ccc(cc1)[C@H]2CC(=O)c3c(O)cc(O)cc3O2; COc1ccc(cc1)[C@H]2CC(=O)c3c(cc(cc3O2)O) O |
(2~{R})-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one |
| 17218 |  A1JBL |
1 | C17 H12 Cl N O2 S | InChI=1S/C17H12ClNO2S/c18 -13-8-6-11(7-9-13)16-14(1 0-15(20)21)22-17(19-16)12 -4-2-1-3-5-12/h1-9H,10H2, (H,20,21); JIEKMACRVQTPRC-UHFFFAOYSA-N |
c1ccc(cc1)c2nc(c(s2)CC(=O)O)c3ccc(cc3)Cl ; OC(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3 |
2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]ethanoic acid |
| 17219 |  A1JBO |
1 | C24 H34 F3 N O14 | InChI=1S/C24H34F3NO14/c25 -24(26,27)23(38)28-10-3-1 -9(2-4-10)5-6-39-21-17(37 )20(16(36)19(40-21)12(32) 8-30)42-22-15(35)13(33)14 (34)18(41-22)11(31)7-29/h 1-4,11-22,29-37H,5-8H2,(H ,28,38)/t11-,12-,13-,14-, 15-,16+,17-,18+,19+,20-,2 1-,22+/m0/s1; IKWNTJVXRGBHBU-KSXAYDKWSA-N |
c1cc(ccc1CCOC2C(C(C(C(O2)C(CO)O)O)OC3C(C (C(C(O3)C(CO)O)O)O)O)O)NC(=O)C(F)(F)F; c 1cc(ccc1CCO[C@@H]2[C@H]([C@H]([C@@H]([C@ H](O2)[C@H](CO)O)O)O[C@@H]3[C@H]([C@H]([ C@@H]([C@H](O3)[C@H](CO)O)O)O)O)O)NC(=O) C(F)(F)F; OC[CH](O)[CH]1O[CH](O[CH]2[CH] (O)[CH](OCCc3ccc(NC(=O)C(F)(F)F)cc3)O[CH ]([CH](O)CO)[CH]2O)[CH](O)[CH](O)[CH]1O; OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O) [C@@H](OCCc3ccc(NC(=O)C(F)(F)F)cc3)O[C@H ]([C@@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O) [C@@H]1O |
~{N}-[4-[2-[(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxyethyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide |
| 17220 |  A1JBS |
1 | C24 H35 F3 N O17 P | InChI=1S/C24H35F3NO17P/c2 5-24(26,27)23(37)28-10-3- 1-9(2-4-10)5-6-41-21-16(3 6)19(15(35)17(42-21)11(31 )7-29)44-22-14(34)13(33)2 0(45-46(38,39)40)18(43-22 )12(32)8-30/h1-4,11-22,29 -36H,5-8H2,(H,28,37)(H2,3 8,39,40)/t11-,12-,13+,14- ,15+,16-,17+,18+,19-,20-, 21-,22+/m0/s1; TWBTYLITQJEZMJ-CYMRCLIHSA-N |
c1cc(ccc1CCO[C@@H]2[C@H]([C@H]([C@@H]([C @H](O2)[C@H](CO)O)O)O[C@@H]3[C@H]([C@H]( [C@@H]([C@H](O3)[C@H](CO)O)OP(=O)(O)O)O) O)O)NC(=O)C(F)(F)F; OC[C@H](O)[C@H]1O[C@ H](OCCc2ccc(NC(=O)C(F)(F)F)cc2)[C@@H](O) [C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H]( O[P](O)(O)=O)[C@H](O)[C@@H]3O)[C@@H]1O; OC[CH](O)[CH]1O[CH](OCCc2ccc(NC(=O)C(F)( F)F)cc2)[CH](O)[CH](O[CH]3O[CH]([CH](O)C O)[CH](O[P](O)(O)=O)[CH](O)[CH]3O)[CH]1O ; c1cc(ccc1CCOC2C(C(C(C(O2)C(CO)O)O)OC3C (C(C(C(O3)C(CO)O)OP(=O)(O)O)O)O)O)NC(=O) C(F)(F)F |
[(2~{R},3~{S},4~{R},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,5-bis(oxidanyl)-6-[2-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]ethoxy]oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate; Meropenem, bound form |
| 17221 |  A1JBW |
8 | C18 H21 N5 O7 S2 | InChI=1S/C18H21N5O7S2/c1- 21(2)13-4-6-16(18-17(13)1 9-30-20-18)32(28,29)23-9- 7-22(8-10-23)31(26,27)12- 3-5-14(24)15(25)11-12/h3- 6,11,24-25H,7-10H2,1-2H3; KCVKYCDMYIAMQJ-UHFFFAOYSA-N |
CN(C)c1ccc(c2c1non2)S(=O)(=O)N3CCN(CC3)S (=O)(=O)c4ccc(c(c4)O)O; CN(C)c1ccc(c2non c12)[S](=O)(=O)N3CCN(CC3)[S](=O)(=O)c4cc c(O)c(O)c4 |
4-[4-[[7-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol |
| 17222 |  A1JBX |
1 | C28 H34 N10 O6 S2 | InChI=1S/C28H34N10O6S2/c1 -43-19-7-11-21(12-8-19)45 (39,40)37(17-27-29-33-34- 30-27)25-15-16-26(24-6-4- 3-5-23(24)25)38(18-28-31- 35-36-32-28)46(41,42)22-1 3-9-20(44-2)10-14-22/h3-1 6,27-36H,17-18H2,1-2H3; SLXABHXTDPHHNZ-UHFFFAOYSA-N |
COc1ccc(cc1)S(=O)(=O)N(CC2NNNN2)c3ccc(c4 c3cccc4)N(CC5NNNN5)S(=O)(=O)c6ccc(cc6)OC ; COc1ccc(cc1)[S](=O)(=O)N(CC2NNNN2)c3cc c(N(CC4NNNN4)[S](=O)(=O)c5ccc(OC)cc5)c6c cccc36 |
4-methoxy-~{N}-[4-[(4-methoxyphenyl)sulfonyl-(1,2,3,4-tetrazolidin-5-ylmethyl)amino]naphthalen-1-yl]-~{N}-(1,2,3,4-tetrazolidin-5-ylmethyl)benzenesulfonamide |
| 17223 |  A1JBZ |
8 | C21 H25 N5 O7 S2 | InChI=1S/C21H25N5O7S2/c27 -17-6-4-15(14-18(17)28)34 (29,30)25-10-12-26(13-11- 25)35(31,32)19-7-5-16(20- 21(19)23-33-22-20)24-8-2- 1-3-9-24/h4-7,14,27-28H,1 -3,8-13H2; ISODZKPLYYJZLI-UHFFFAOYSA-N |
Oc1ccc(cc1O)[S](=O)(=O)N2CCN(CC2)[S](=O) (=O)c3ccc(N4CCCCC4)c5nonc35; c1cc(c(cc1S (=O)(=O)N2CCN(CC2)S(=O)(=O)c3ccc(c4c3non 4)N5CCCCC5)O)O |
4-[4-[(7-piperidin-1-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperazin-1-yl]sulfonylbenzene-1,2-diol; ISODZKPLYYJZLI-UHFFFAOYSA-N |
| 17224 |  A1JC0 |
1 | C6 H Br2 F2 N3 | InChI=1S/C6HBr2F2N3/c7-1- 3(9)2(8)5-6(4(1)10)12-13- 11-5/h(H,11,12,13); SPUXHSCCCLXDJT-UHFFFAOYSA-N |
c12c(c(c(c(c1F)Br)F)Br)nn[nH]2; Fc1c(Br) c(F)c2[nH]nnc2c1Br |
4,6-bis(bromanyl)-5,7-bis(fluoranyl)-1~{H}-benzotriazole |
| 17225 |  A1JC1 |
1 | C43 H66 Cl N5 O8 | InChI=1S/C43H66ClN5O8/c1- 53-40-14-8-7-13-36(40)37( 45)31-41(50)49-32-35(34-1 1-5-4-6-12-34)30-39(49)43 (52)48-38(29-33-15-18-46- 19-16-33)42(51)47-20-22-5 5-24-26-57-28-27-56-25-23 -54-21-10-3-2-9-17-44/h7- 8,13-16,18-19,34-35,37-39 H,2-6,9-12,17,20-32,45H2, 1H3,(H,47,51)(H,48,52)/t3 5-,37+,38-,39+/m1/s1; NRBOBAOLCBJHID-ZACWFTDDSA-N |
COc1ccccc1[CH](N)CC(=O)N2C[CH](C[CH]2C(= O)N[CH](Cc3ccncc3)C(=O)NCCOCCOCCOCCOCCCC CCCl)C4CCCCC4; COc1ccccc1C(CC(=O)N2CC(CC 2C(=O)NC(Cc3ccncc3)C(=O)NCCOCCOCCOCCOCCC CCCCl)C4CCCCC4)N; COc1ccccc1[C@@H](N)CC( =O)N2C[C@@H](C[C@H]2C(=O)N[C@H](Cc3ccncc 3)C(=O)NCCOCCOCCOCCOCCCCCCCl)C4CCCCC4; C Oc1ccccc1[C@H](CC(=O)N2C[C@@H](C[C@H]2C( =O)N[C@H](Cc3ccncc3)C(=O)NCCOCCOCCOCCOCC CCCCCl)C4CCCCC4)N |
(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(2-methoxyphenyl)propanoyl]-~{N}-[(2~{R})-1-[2-[2-[2-[2-(6-chloranylhexoxy)ethoxy]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]-4-cyclohexyl-pyrrolidine-2-carboxamide |
| 17226 |  A1JC2 |
4 | C19 H29 F2 N3 O6 S2 | InChI=1S/C19H29F2N3O6S2/c 1-31(27,28)19-16(23-10-2- 6-12(25)7-3-10)14(20)18(3 2(22,29)30)15(21)17(19)24 -11-4-8-13(26)9-5-11/h10- 13,23-26H,2-9H2,1H3,(H2,2 2,29,30)/t10-,11-,12-,13+; NWLSRXMQTUZBGB-ROTMJFINSA-N |
C[S](=O)(=O)c1c(N[C@H]2CC[C@@H](O)CC2)c( F)c(c(F)c1N[C@@H]3CC[C@@H](O)CC3)[S](N)( =O)=O; C[S](=O)(=O)c1c(N[CH]2CC[CH](O)CC 2)c(F)c(c(F)c1N[CH]3CC[CH](O)CC3)[S](N)( =O)=O; CS(=O)(=O)c1c(c(c(c(c1NC2CCC(CC2) O)F)S(=O)(=O)N)F)NC3CCC(CC3)O |
2,6-bis(fluoranyl)-4-methylsulfonyl-3,5-bis[(4-oxidanylcyclohexyl)amino]benzenesulfonamide |
| 17227 |  A1JC3 |
1 | C26 H32 N2 O3 S | InChI=1S/C26H32N2O3S/c1-3 1-17-16-28(32(29,30)26-14 -13-24-11-5-6-12-25(24)18 -26)21-23-10-7-15-27(20-2 3)19-22-8-3-2-4-9-22/h2-6 ,8-9,11-14,18,23H,7,10,15 -17,19-21H2,1H3/t23-/m1/s 1; NIHBOOKOQZGYSF-HSZRJFAPSA-N |
COCCN(C[C@@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O )c3ccc4ccccc4c3; COCCN(C[CH]1CCCN(C1)Cc2 ccccc2)[S](=O)(=O)c3ccc4ccccc4c3; COCCN( C[C@@H]1CCCN(C1)Cc2ccccc2)[S](=O)(=O)c3c cc4ccccc4c3; COCCN(CC1CCCN(C1)Cc2ccccc2) S(=O)(=O)c3ccc4ccccc4c3 |
N-(2-methoxyethyl)-N-[[(3R)-1-(phenylmethyl)piperidin-3-yl]methyl]naphthalene-2-sulfonamide; N-([(3R)-1-benzylpiperidin-3-yl]methyl)-N-(2-methoxyethyl)naphthalene-2-sulfonamide |
| 17228 |  A1JC6 |
2 | C16 H10 F3 N O3 | InChI=1S/C16H10F3NO3/c17- 16(18,19)13-5-2-4-12(10-1 3)15(21)8-7-11-3-1-6-14(9 -11)20(22)23/h1-10H/q+1/b 8-7+; GCEMMXIJRGJSRR-BQYQJAHWSA-N |
c1cc(cc(c1)[N+](=O)=O)C=CC(=O)c2cccc(c2) C(F)(F)F; c1cc(cc(c1)[N+](=O)=O)/C=C/C(= O)c2cccc(c2)C(F)(F)F; FC(F)(F)c1cccc(c1) C(=O)\C=C\c2cccc(c2)[N+](=O)=O; FC(F)(F) c1cccc(c1)C(=O)C=Cc2cccc(c2)[N+](=O)=O |
(~{E})-3-[3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| 17229 |  A1JC8 |
2 | C17 H11 F3 O3 | InChI=1S/C17H11F3O3/c18-1 7(19,20)13-3-1-2-12(9-13) 14(21)6-4-11-5-7-15-16(8- 11)23-10-22-15/h1-10,22H/ b6-4+; FQIMIDFHNGYPLI-GQCTYLIASA-N |
FC(F)(F)c1cccc(c1)C(=O)C=Cc2ccc3[oH]coc3 c2; FC(F)(F)c1cccc(c1)C(=O)/C=C/c2ccc3[o H]coc3c2; c1cc(cc(c1)C(F)(F)F)C(=O)C=Cc2 ccc3c(c2)OC=[OH]3; c1cc(cc(c1)C(F)(F)F)C (=O)/C=C/c2ccc3c(c2)OC=[OH]3 |
(~{E})-3-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| 17230 |  A1JCA |
7 | C25 H42 N7 O19 P3 S | InChI=1S/C25H42N7O19P3S/c 1-24(2,18(36)21(37)28-5-4 -14(34)27-6-7-55-23(38)25 (3,39)9-33)10-48-54(45,46 )51-53(43,44)47-8-13-17(5 0-52(40,41)42)16(35)22(49 -13)32-12-31-15-19(26)29- 11-30-20(15)32/h11-13,16- 18,22,33,35-36,39H,4-10H2 ,1-3H3,(H,27,34)(H,28,37) (H,43,44)(H,45,46)(H2,26, 29,30)(H2,40,41,42)/t13-, 16-,17-,18+,22-,25+/m1/s1; ZUNPIMQDZAVEDO-FOXNSAMMSA-N |
CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn c23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)[C](C)( O)CO; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)N CCC(=O)NCCSC(=O)C(C)(CO)O)O; CC(C)(CO[P] (O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O )[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C @@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@](C)(O) CO; C[C@](CO)(C(=O)SCCNC(=O)CCNC(=O)[C@@ H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C @H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP( =O)(O)O)O)O |
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (2~{S})-2-methyl-2,3-bis(oxidanyl)propanethioate |
| 17231 |  A1JCF |
2 | C20 H23 Cl N6 O9 P2 | InChI=1S/C20H23ClN6O9P2/c 1-26(12-7-6-10-4-2-3-5-11 (10)12)17-14-18(23-20(21) 22-17)27(25-24-14)19-16(2 9)15(28)13(36-19)8-35-38( 33,34)9-37(30,31)32/h2-7, 12-13,15-16,19,28-29H,8-9 H2,1H3,(H,33,34)(H2,30,31 ,32)/t12-,13+,15+,16+,19+ /m0/s1; UKEIIBAXICGCEM-BPAMBQHCSA-N |
CN(c1c2c(nc(n1)Cl)n(nn2)C3C(C(C(O3)COP(= O)(CP(=O)(O)O)O)O)O)C4C=Cc5c4cccc5; CN([ CH]1C=Cc2ccccc12)c3nc(Cl)nc4n(nnc34)[CH] 5O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[ CH]5O; CN(c1c2c(nc(n1)Cl)n(nn2)[C@H]3[C@ @H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O )O)O)[C@H]4C=Cc5c4cccc5; CN([C@H]1C=Cc2c cccc12)c3nc(Cl)nc4n(nnc34)[C@@H]5O[C@H]( CO[P](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]5 O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[5-chloranyl-7-[[(1~{S})-1~{H}-inden-1-yl]-methyl-amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 17232 |  A1JCG CHEMBL5766775 |
2 | C19 H27 Cl N9 O8 P | InChI=1S/C19H27ClN9O8P/c2 0-18-23-15(22-9-3-1-2-4-9 )10-6-21-29(16(10)24-18)1 7-14(32)13(31)11(37-17)7- 36-19(8-30,38(33,34)35)5- 12-25-27-28-26-12/h6,9,11 ,13-14,17,30-32H,1-5,7-8H 2,(H,22,23,24)(H2,33,34,3 5)(H,25,26,27,28)/t11-,13 -,14-,17-,19-/m1/s1; PVVWULAPDGYSNQ-XTKAHFKISA-N |
c1c2c(nc(nc2n(n1)C3C(C(C(O3)COC(Cc4n[nH] nn4)(CO)P(=O)(O)O)O)O)Cl)NC5CCCC5; c1c2c (nc(nc2n(n1)[C@H]3[C@@H]([C@@H]([C@H](O3 )CO[C@@](Cc4n[nH]nn4)(CO)P(=O)(O)O)O)O)C l)NC5CCCC5; OC[C](Cc1n[nH]nn1)(OC[CH]2O[ CH]([CH](O)[CH]2O)n3ncc4c(NC5CCCC5)nc(Cl )nc34)[P](O)(O)=O; OC[C@](Cc1n[nH]nn1)(O C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3ncc4c(N C5CCCC5)nc(Cl)nc34)[P](O)(O)=O |
[(2~{R})-2-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-1-oxidanyl-3-(2~{H}-1,2,3,4-tetrazol-5-yl)propan-2-yl]phosphonic acid |
| 17233 |  A1JCH |
2 | C20 H29 Cl N9 O9 P | InChI=1S/C20H29ClN9O9P/c2 1-19-24-16(23-10-3-1-2-4- 10)11-5-22-30(17(11)25-19 )18-15(33)14(32)12(39-18) 6-38-20(8-31,40(34,35)36) 9-37-7-13-26-28-29-27-13/ h5,10,12,14-15,18,31-33H, 1-4,6-9H2,(H,23,24,25)(H2 ,34,35,36)(H,26,27,28,29) /t12-,14-,15-,18-,20+/m1/ s1; WQAMOSWUARUEOH-GGBXQBQZSA-N |
OC[C](COCc1[nH]nnn1)(OC[CH]2O[CH]([CH](O )[CH]2O)n3ncc4c(NC5CCCC5)nc(Cl)nc34)[P]( O)(O)=O; OC[C@](COCc1[nH]nnn1)(OC[C@H]2O [C@H]([C@H](O)[C@@H]2O)n3ncc4c(NC5CCCC5) nc(Cl)nc34)[P](O)(O)=O; c1c2c(nc(nc2n(n1 )C3C(C(C(O3)COC(CO)(COCc4[nH]nnn4)P(=O)( O)O)O)O)Cl)NC5CCCC5; c1c2c(nc(nc2n(n1)[C @H]3[C@@H]([C@@H]([C@H](O3)CO[C@](CO)(CO Cc4[nH]nnn4)P(=O)(O)O)O)O)Cl)NC5CCCC5 |
[(2~{S})-2-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-(cyclopentylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]-1-oxidanyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethoxy)propan-2-yl]phosphonic acid |
| 17234 |  A1JCI |
4 | C9 H12 Cl N O | InChI=1S/C9H12ClNO/c10-4- 3-9(12)7-11-5-1-8(9)2-6-1 1/h8,12H,1-2,5-7H2/t9-/m1 /s1; IDDQVUITPVBTJK-SECBINFHSA-N |
C1CN2CCC1[C@](C2)(C#CCl)O; O[C]1(CN2CCC1 CC2)C#CCl; C1CN2CCC1C(C2)(C#CCl)O; O[C@@ ]1(CN2CCC1CC2)C#CCl |
(3~{R})-3-(2-chloranylethynyl)-1-azabicyclo[2.2.2]octan-3-ol |
| 17235 |  A1JCJ CHEMBL5177773 |
2 | C8 H8 Cl N O S | InChI=1S/C8H8ClNOS/c9-6-2 -1-3-7(4-6)10-8(11)5-12/h 1-4,12H,5H2,(H,10,11); DJWPXOOPPHUNGN-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)NC(=O)CS; SCC(=O)Nc1cccc(C l)c1 |
~{N}-(3-chlorophenyl)-2-sulfanyl-ethanamide |
| 17236 |  A1JCK CHEMBL1369173 |
2 | C12 H11 N O S | InChI=1S/C12H11NOS/c14-12 (8-15)13-11-6-5-9-3-1-2-4 -10(9)7-11/h1-7,15H,8H2,( H,13,14); SGMHGVVTMOGJMX-UHFFFAOYSA-N |
SCC(=O)Nc1ccc2ccccc2c1; c1ccc2cc(ccc2c1) NC(=O)CS |
~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide; SGMHGVVTMOGJMX-UHFFFAOYSA-N |
| 17237 |  A1JCO |
2 | C16 H10 F3 N O3 | InChI=1S/C16H10F3NO3/c17- 16(18,19)13-3-1-2-12(10-1 3)15(21)9-6-11-4-7-14(8-5 -11)20(22)23/h1-10H; ATSHMFNBWPTQLJ-UHFFFAOYSA-N |
c1cc(cc(c1)C(F)(F)F)C(=O)C=Cc2ccc(cc2)N( =O)=O; c1cc(cc(c1)C(F)(F)F)C(=O)/C=C/c2c cc(cc2)N(=O)=O; FC(F)(F)c1cccc(c1)C(=O)C =Cc2ccc(cc2)[N](=O)=O; FC(F)(F)c1cccc(c1 )C(=O)\C=C\c2ccc(cc2)[N](=O)=O |
(~{E})-3-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one |
| 17238 |  A1JCP |
6 | C23 H28 F3 N7 O2 S | InChI=1S/C23H28F3N7O2S/c1 -4-33-21(35)18(36-22(33)1 7(12-27)20(34)30-14-23(24 ,25)26)13-29-15-5-8-28-19 (11-15)32(3)16-6-9-31(2)1 0-7-16/h5,8,11,13,16,36H, 4,6-7,9-10,14H2,1-3H3,(H, 30,34)/b22-17-,29-13+; GTQIHYRIVZRZQE-DLTYULCUSA-N |
CCN1C(=O)C(=SC1=C(C#N)C(=O)NCC(F)(F)F)C= Nc2ccnc(c2)N(C)C3CCN(CC3)C; CCN1C(=O)C(= [SH]\C1=C(C#N)/C(=O)NCC(F)(F)F)C=Nc2ccnc (c2)N(C)C3CCN(C)CC3; CCN\1C(=O)C(=S/C1=C (/C#N)\C(=O)NCC(F)(F)F)/C=N/c2ccnc(c2)N( C)C3CCN(CC3)C; CCN1C(=O)C(=[SH]C1=C(C#N) C(=O)NCC(F)(F)F)C=Nc2ccnc(c2)N(C)C3CCN(C )CC3 |
(2~{Z})-2-cyano-2-[3-ethyl-5-[(~{E})-[2-[methyl-(1-methylpiperidin-4-yl)amino]pyridin-4-yl]iminomethyl]-4-oxidanylidene-1,3-thiazol-2-ylidene]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide |
| 17239 |  A1JCQ CHEMBL1908394 |
2 | C27 H28 F3 N5 O2 S | InChI=1S/C27H28F3N5O2S/c1 -17(19-5-3-4-6-20(19)27(2 8,29)30)37-23-14-24(38-25 (23)26(31)36)35-16-32-21- 8-7-18(13-22(21)35)15-34- 11-9-33(2)10-12-34/h3-8,1 3-14,16-17H,9-12,15H2,1-2 H3,(H2,31,36)/t17-/m1/s1; ZHJGWYRLJUCMRT-QGZVFWFLSA-N |
C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N) n3cnc4c3cc(cc4)CN5CCN(CC5)C; C[C@@H](Oc1 cc(sc1C(N)=O)n2cnc3ccc(CN4CCN(C)CC4)cc23 )c5ccccc5C(F)(F)F; CC(c1ccccc1C(F)(F)F)O c2cc(sc2C(=O)N)n3cnc4c3cc(cc4)CN5CCN(CC5 )C; C[CH](Oc1cc(sc1C(N)=O)n2cnc3ccc(CN4C CN(C)CC4)cc23)c5ccccc5C(F)(F)F |
5-[6-[(4-methylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3-[(1~{R})-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide |
| 17240 |  A1JCX |
1 | C6 H Br2 F2 N3 | InChI=1S/C6HBr2F2N3/c7-1- 2(8)4(10)6-5(3(1)9)11-13- 12-6/h(H,11,12,13); AEHBIHGPHZFKJS-UHFFFAOYSA-N |
c12c(c(c(c(c1F)Br)Br)F)nn[nH]2; Fc1c(Br) c(Br)c(F)c2nn[nH]c12 |
5,6-bis(bromanyl)-4,7-bis(fluoranyl)-1~{H}-benzotriazole |
| 17241 |  A1JCY |
2 | C6 H Br2 F2 N3 | InChI=1S/C6HBr2F2N3/c7-1- 2(8)5-6(12-13-11-5)4(10)3 (1)9/h(H,11,12,13); LQPDTMCAGCQHDV-UHFFFAOYSA-N |
c12c(c(c(c(c1Br)Br)F)F)nn[nH]2; Fc1c(F)c 2nn[nH]c2c(Br)c1Br |
6,7-bis(bromanyl)-4,5-bis(fluoranyl)-1~{H}-benzotriazole |
| 17242 |  A1JCZ |
1 | C6 H Br2 F2 N3 | InChI=1S/C6HBr2F2N3/c7-1- 3(9)4(10)2(8)6-5(1)11-13- 12-6/h(H,11,12,13); YGFJXINXQKRKGO-UHFFFAOYSA-N |
Fc1c(F)c(Br)c2nn[nH]c2c1Br; c12c(c(c(c(c 1Br)F)F)Br)nn[nH]2 |
4,7-bis(bromanyl)-5,6-bis(fluoranyl)-1~{H}-benzotriazole |
| 17243 |  A1JD4 |
2 | C23 H23 N3 O5 | InChI=1S/C23H23N3O5/c1-13 -3-4-15-5-6-16(9-18(15)24 -13)14(2)31-19-11-25-10-1 7-12-30-8-7-26(17)23(29)2 0(25)22(28)21(19)27/h3-6, 9,11,14,17,28H,7-8,10,12H 2,1-2H3/t14-,17-/m0/s1; DPINYONVCPWSBW-YOEHRIQHSA-N |
C[CH](OC1=CN2C[CH]3COCCN3C(=O)C2=C(O)C1= O)c4ccc5ccc(C)nc5c4; Cc1ccc2ccc(cc2n1)[C @H](C)OC3=CN4C[C@H]5COCCN5C(=O)C4=C(C3=O )O; Cc1ccc2ccc(cc2n1)C(C)OC3=CN4CC5COCCN 5C(=O)C4=C(C3=O)O; C[C@H](OC1=CN2C[C@H]3 COCCN3C(=O)C2=C(O)C1=O)c4ccc5ccc(C)nc5c4 |
(3~{S})-13-[(1~{S})-1-(2-methylquinolin-7-yl)ethoxy]-11-oxidanyl-5-oxa-1,8-diazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione |
| 17244 |  A1JD5 |
1 | C26 H40 N2 O4 S | InChI=1S/C26H40N2O4S/c1-7 -26(8-2,19-11-13-20(14-12 -19)32-17-9-10-23(30)28-3 1)24-27-18(3)21(33-24)15- 16-22(29)25(4,5)6/h11-14, 22,29,31H,7-10,15-17H2,1- 6H3,(H,28,30)/t22-/m0/s1; CHEHAHOVAVDOHQ-QFIPXVFZSA-N |
CCC(CC)(c1ccc(OCCCC(=O)NO)cc1)c2sc(CC[CH ](O)C(C)(C)C)c(C)n2; CCC(CC)(c1ccc(OCCCC (=O)NO)cc1)c2sc(CC[C@H](O)C(C)(C)C)c(C)n 2; CCC(CC)(c1ccc(cc1)OCCCC(=O)NO)c2nc(c( s2)CC[C@@H](C(C)(C)C)O)C; CCC(CC)(c1ccc( cc1)OCCCC(=O)NO)c2nc(c(s2)CCC(C(C)(C)C)O )C |
4-[4-[3-[5-[(3~{S})-4,4-dimethyl-3-oxidanyl-pentyl]-4-methyl-1,3-thiazol-2-yl]pentan-3-yl]phenoxy]-~{N}-oxidanyl-butanamide |
| 17245 |  A1JDD |
1 | C27 H24 O2 | InChI=1S/C27H24O2/c1-27(2 ,21-13-15-25(28)23(17-21) 19-9-5-3-6-10-19)22-14-16 -26(29)24(18-22)20-11-7-4 -8-12-20/h3-18,28-29H,1-2 H3; BKTRENAPTCBBFA-UHFFFAOYSA-N |
CC(C)(c1ccc(c(c1)c2ccccc2)O)c3ccc(c(c3)c 4ccccc4)O; CC(C)(c1ccc(O)c(c1)c2ccccc2)c 3ccc(O)c(c3)c4ccccc4 |
4-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-phenol; BKTRENAPTCBBFA-UHFFFAOYSA-N |
| 17246 |  A1JDE |
1 | C19 H16 O4 S | InChI=1S/C19H16O4S/c20-16 -6-10-18(11-7-16)24(21,22 )19-12-8-17(9-13-19)23-14 -15-4-2-1-3-5-15/h1-13,20 H,14H2; UWPJWCBDMZHMTN-UHFFFAOYSA-N |
c1ccc(cc1)COc2ccc(cc2)S(=O)(=O)c3ccc(cc3 )O; Oc1ccc(cc1)[S](=O)(=O)c2ccc(OCc3cccc c3)cc2 |
4-(4-phenylmethoxyphenyl)sulfonylphenol; UWPJWCBDMZHMTN-UHFFFAOYSA-N |
| 17247 |  A1JDF |
2 | C26 H25 F N6 O3 S | InChI=1S/C26H25FN6O3S/c1- 14-8-19(9-17-11-29-31-24( 14)17)37(35,36)23-10-22(3 2(3)15(23)2)26(34)28-13-2 0-21(27)7-4-16-12-30-33(2 5(16)20)18-5-6-18/h4,7-12 ,18H,5-6,13H2,1-3H3,(H,28 ,34)(H,29,31); KWNCMJIBFWUTJW-UHFFFAOYSA-N |
Cc1cc(cc2c1n[nH]c2)S(=O)(=O)c3cc(n(c3C)C )C(=O)NCc4c(ccc5c4n(nc5)C6CC6)F; Cn1c(C) c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S]( =O)(=O)c5cc(C)c6n[nH]cc6c5 |
~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide |
| 17248 |  A1JDG |
4 | C12 H17 N O | InChI=1S/C12H17NO/c1-13-1 0-6-7-11-9(8-10)4-3-5-12( 11)14-2/h3-5,10,13H,6-8H2 ,1-2H3/t10-/m0/s1; VBJJOYHRWXQNFV-JTQLQIEISA-N |
CN[C@H]1CCc2c(C1)cccc2OC; CN[CH]1CCc2c(C 1)cccc2OC; CNC1CCc2c(cccc2OC)C1; CN[C@H] 1CCc2c(cccc2OC)C1 |
(2~{S})-5-methoxy-~{N}-methyl-1,2,3,4-tetrahydronaphthalen-2-amine |
| 17249 |  A1JDH |
3 | C11 H12 O2 | InChI=1S/C11H12O2/c1-13-1 1-4-2-3-8-7-9(12)5-6-10(8 )11/h2-4H,5-7H2,1H3; MDAIAXRTLTVEOU-UHFFFAOYSA-N |
COc1cccc2c1CCC(=O)C2; COc1cccc2CC(=O)CCc 12 |
5-methoxy-3,4-dihydro-1~{H}-naphthalen-2-one |
| 17250 |  A1JDI |
1 | C11 H9 B F N O2 | InChI=1S/C11H9BFNO2/c13-8 -2-1-3-9-11(8)10-6(5-14)4 -7(10)12(15)16-9/h1-3,6-7 ,10,15H,4H2/t6-,7+,10-/m0 /s1; HJELYBQKKZFUDV-PJKMHFRUSA-N |
B1(C2CC(C2c3c(cccc3F)O1)C#N)O; OB1Oc2ccc c(F)c2[C@H]3[C@@H](C[C@@H]13)C#N; B1([C@ @H]2C[C@H]([C@@H]2c3c(cccc3F)O1)C#N)O; O B1Oc2cccc(F)c2[CH]3[CH](C[CH]13)C#N |
(1~{R},2~{a}~{R},8~{b}~{R})-8-fluoranyl-3-oxidanyl-1,2,2~{a},8~{b}-tetrahydrocyclobuta[c][1,2]benzoxaborinine-1-carbonitrile |
| 17251 |  A1JDJ |
2 | C26 H30 Cl N5 O7 S2 | InChI=1S/C26H30ClN5O7S2/c 1-3-16-18(32-12-9-19(33)2 5(32)35)5-4-6-21(16)41(37 ,38)30-17(15-29-24(34)20- 7-8-22(27)40-20)26(36)39- 14-10-23-28-11-13-31(23)2 /h4-8,11,13,17,19,30,33H, 3,9-10,12,14-15H2,1-2H3,( H,29,34)/t17-,19-/m0/s1; UHRIYOJEACOYON-HKUYNNGSSA-N |
CCc1c(cccc1S(=O)(=O)NC(CNC(=O)c2ccc(s2)C l)C(=O)OCCc3nccn3C)N4CCC(C4=O)O; CCc1c(c ccc1S(=O)(=O)N[C@@H](CNC(=O)c2ccc(s2)Cl) C(=O)OCCc3nccn3C)N4CC[C@@H](C4=O)O; CCc1 c(cccc1[S](=O)(=O)N[CH](CNC(=O)c2sc(Cl)c c2)C(=O)OCCc3nccn3C)N4CC[CH](O)C4=O; CCc 1c(cccc1[S](=O)(=O)N[C@@H](CNC(=O)c2sc(C l)cc2)C(=O)OCCc3nccn3C)N4CC[C@H](O)C4=O |
2-(1-methylimidazol-2-yl)ethyl (2~{S})-3-[(5-chloranylthiophen-2-yl)carbonylamino]-2-[[2-ethyl-3-[(3~{S})-3-oxidanyl-2-oxidanylidene-pyrrolidin-1-yl]phenyl]sulfonylamino]propanoate |
| 17252 |  A1JDL |
4 | C17 H26 N2 O3 S2 | InChI=1S/C17H26N2O3S2/c1- 2-3-11-19-17(20)13-9-10-1 5(16(12-13)24(18,21)22)23 -14-7-5-4-6-8-14/h9-10,12 ,14H,2-8,11H2,1H3,(H,19,2 0)(H2,18,21,22); ISNDLQJTGIKBAT-UHFFFAOYSA-N |
CCCCNC(=O)c1ccc(SC2CCCCC2)c(c1)[S](N)(=O )=O; CCCCNC(=O)c1ccc(c(c1)S(=O)(=O)N)SC2 CCCCC2 |
~{N}-butyl-4-cyclohexylsulfanyl-3-sulfamoyl-benzamide |
| 17253 |  A1JDM |
4 | C21 H25 F N10 O10 P2 | InChI=1S/C21H25FN10O10P2/ c22-13-16(11(4-39-44(36,3 7)38)41-21(13)32-8-30-15- 18(24)26-6-28-20(15)32)42 -43(34,35)2-1-10-9(33)3-1 2(40-10)31-7-29-14-17(23) 25-5-27-19(14)31/h1-2,5-1 3,16,21,33H,3-4H2,(H,34,3 5)(H2,23,25,27)(H2,24,26, 28)(H2,36,37,38); SGIFLIAUADEBFS-UHFFFAOYSA-N |
Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O3)C=C [P](O)(=O)O[CH]4[CH](F)[CH](O[CH]4CO[P]( O)(O)=O)n5cnc6c(N)ncnc56; c1nc(c2c(n1)n( cn2)[C@H]3C[C@@H]([C@H](O3)C=CP(=O)(O)O[ C@@H]4[C@H](O[C@H]([C@@H]4F)n5cnc6c5ncnc 6N)COP(=O)(O)O)O)N; c1nc(c2c(n1)n(cn2)C3 CC(C(O3)C=CP(=O)(O)OC4C(OC(C4F)n5cnc6c5n cnc6N)COP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[ C@H]3C[C@@H](O)[C@@H](O3)\C=C/[P](O)(=O) O[C@H]4[C@@H](F)[C@H](O[C@@H]4CO[P](O)(O )=O)n5cnc6c(N)ncnc56 |
[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-fluoranyl-2-(phosphonooxymethyl)oxolan-3-yl]oxy-[2-[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]ethenyl]phosphinic acid |
| 17254 |  A1JDO |
1 | C22 H28 N2 O3 S | InChI=1S/C22H28N2O3S/c1-3 -12-23-14-11-19(17-23)18- 24(13-6-15-27-2)28(25,26) 22-10-9-20-7-4-5-8-21(20) 16-22/h1,4-5,7-10,16,19H, 6,11-15,17-18H2,2H3; NTSSFAYVZQLMOD-UHFFFAOYSA-N |
COCCCN(C[C@H]1CCN(C1)CC#C)S(=O)(=O)c2ccc 3ccccc3c2; COCCCN(CC1CCN(C1)CC#C)S(=O)(= O)c2ccc3ccccc3c2; COCCCN(C[CH]1CCN(CC#C) C1)[S](=O)(=O)c2ccc3ccccc3c2; COCCCN(C[C @H]1CCN(CC#C)C1)[S](=O)(=O)c2ccc3ccccc3c 2 |
~{N}-(3-methoxypropyl)-~{N}-[[(3~{S})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide |
| 17255 |  A1JDP |
1 | C22 H26 N2 O2 | InChI=1S/C22H26N2O2/c1-3- 11-23-12-10-18(16-23)17-2 4(13-14-26-2)22(25)21-9-8 -19-6-4-5-7-20(19)15-21/h 1,4-9,15,18H,10-14,16-17H 2,2H3; PEDMWTLVZNXASH-UHFFFAOYSA-N |
COCCN(C[C@@H]1CCN(C1)CC#C)C(=O)c2ccc3ccc cc3c2; COCCN(CC1CCN(C1)CC#C)C(=O)c2ccc3c cccc3c2; COCCN(C[C@@H]1CCN(CC#C)C1)C(=O) c2ccc3ccccc3c2; COCCN(C[CH]1CCN(CC#C)C1) C(=O)c2ccc3ccccc3c2 |
~{N}-(2-methoxyethyl)-~{N}-[[(3~{R})-1-prop-2-ynylpyrrolidin-3-yl]methyl]naphthalene-2-carboxamide |
| 17256 |  A1JDQ CHEMBL3546136 |
4 | C19 H20 N6 O4 | InChI=1S/C19H20N6O4/c1-11 -8-12(2-5-21-11)19-23-15( 10-29-19)18(27)22-14-9-25 (24-16(14)17(20)26)13-3-6 -28-7-4-13/h2,5,8-10,13H, 3-4,6-7H2,1H3,(H2,20,26)( H,22,27); JANBIXNDYNRYQP-UHFFFAOYSA-N |
Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cn(nc3C(=O)N )C4CCOCC4; Cc1cc(ccn1)c2occ(n2)C(=O)Nc3c n(nc3C(N)=O)C4CCOCC4 |
~{N}-[3-aminocarbonyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide |
| 17257 |  A1JDR |
4 | C25 H30 N6 O3 | InChI=1S/C25H30N6O3/c1-16 -12-18(6-9-26-16)31-10-7- 20(29-31)23(32)27-22-13-1 7-15-30(11-8-24(2,3)33)28 -21(17)14-19(22)25(4,5)34 /h6-7,9-10,12-15,33-34H,8 ,11H2,1-5H3,(H,27,32); UEHXLNPSBLCBAQ-UHFFFAOYSA-N |
Cc1cc(ccn1)n2ccc(n2)C(=O)Nc3cc4cn(nc4cc3 C(C)(C)O)CCC(C)(C)O; Cc1cc(ccn1)n2ccc(n2 )C(=O)Nc3cc4cn(CCC(C)(C)O)nc4cc3C(C)(C)O |
~{N}-[2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)indazol-5-yl]-1-(2-methylpyridin-4-yl)pyrazole-3-carboxamide |
| 17258 |  A1JDY |
8 | C4 H4 N2 O | InChI=1S/C4H4N2O/c7-4-1-2 -5-6-3-4/h1-3H,(H,5,7); VHVUTJZQFZBIRR-UHFFFAOYSA-N |
c1cnncc1O; Oc1ccnnc1 | 4-hydroxypyridazine; pyridazin-4-ol |
| 17259 |  A1JDZ |
21 | C3 H4 N2 O2 | InChI=1S/C3H4N2O2/c6-2-1- 4-3(7)5-2/h1,6H,(H2,4,5,7 ); SHFCYMWGNNAKEL-UHFFFAOYSA-N |
Oc1[nH]cc(O)n1; c1c(nc([nH]1)O)O | 1~{H}-imidazole-2,4-diol |
| 17260 |  A1JE0 |
2 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c1-17 -11-4-2-9(3-5-11)12-15-16 -13(18-12)10-6-7-14-8-10/ h2-5,10,14H,6-8H2,1H3/t10 -/m0/s1; ZTIKEYXZRPGFEB-JTQLQIEISA-N |
COc1ccc(cc1)c2oc(nn2)[CH]3CCNC3; COc1ccc (cc1)c2oc(nn2)[C@H]3CCNC3; COc1ccc(cc1)c 2nnc(o2)[C@H]3CCNC3; COc1ccc(cc1)c2nnc(o 2)C3CCNC3 |
2-(4-methoxyphenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
| 17261 |  A1JE1 |
0 | C10 H18 N2 O4 | InChI=1S/C10H18N2O4/c11-7 -6-5-15-10(16-6)8(9(7)13) 12-1-3-14-4-2-12/h6-10,13 H,1-5,11H2; JBSAPHFJJWTFLL-UHFFFAOYSA-N |
C1COCCN1[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@ H]2O3)N)O; N[C@H]1[C@H](O)[C@H]([C@H]2OC [C@@H]1O2)N3CCOCC3; N[CH]1[CH](O)[CH]([C H]2OC[CH]1O2)N3CCOCC3; C1COCCN1C2C(C(C3C OC2O3)N)O |
(1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| 17262 |  A1JE2 |
1 | C12 H21 N3 O4 | InChI=1S/C12H21N3O4/c1-7( 16)14-2-4-15(5-3-14)10-11 (17)9(13)8-6-18-12(10)19- 8/h8-12,17H,2-6,13H2,1H3/ t8-,9-,10-,11?,12-/m1/s1; SMKPDPYRSRUSLD-JIPOKYKOSA-N |
CC(=O)N1CCN(CC1)[C@@H]2[C@@H](O)[C@H](N) [C@H]3CO[C@@H]2O3; CC(=O)N1CCN(CC1)[CH]2 [CH](O)[CH](N)[CH]3CO[CH]2O3; CC(=O)N1CC N(CC1)C2C(C(C3COC2O3)N)O; CC(=O)N1CCN(CC 1)[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3) N)O |
1-[4-[(1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]ethanone |
| 17263 |  A1JE3 |
2 | C13 H15 F N2 O4 | InChI=1S/C13H15FN2O4/c14- 7-2-1-3-8(4-7)16-13(17)20 -10-6-19-11-9(15)5-18-12( 10)11/h1-4,9-12H,5-6,15H2 ,(H,16,17)/t9-,10+,11+,12 -/m0/s1; LUQVOMHSYFZMFI-QCNOEVLYSA-N |
c1cc(cc(c1)F)NC(=O)O[C@@H]2CO[C@H]3[C@@H ]2OC[C@@H]3N; c1cc(cc(c1)F)NC(=O)OC2COC3 C2OCC3N; N[CH]1CO[CH]2[CH](CO[CH]12)OC(= O)Nc3cccc(F)c3; N[C@H]1CO[C@@H]2[C@@H](C O[C@H]12)OC(=O)Nc3cccc(F)c3 |
[(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-(3-fluorophenyl)carbamate |
| 17264 |  A1JE4 |
1 | C10 H14 N2 O | InChI=1S/C10H14N2O/c1-6-1 0(7(2)12-11-6)8-3-4-9(13) 5-8/h3-4,8-9,13H,5H2,1-2H 3,(H,11,12)/t8-,9+/m0/s1; GQAULXNKFCLCAG-DTWKUNHWSA-N |
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O; C c1c(c(n[nH]1)C)C2CC(C=C2)O; Cc1[nH]nc(C) c1[CH]2C[CH](O)C=C2; Cc1[nH]nc(C)c1[C@@H ]2C[C@H](O)C=C2 |
(1~{S},4~{R})-4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)cyclopent-2-en-1-ol |
| 17265 |  A1JE5 |
1 | C12 H14 N6 O | InChI=1S/C12H14N6O/c13-8- 5-10(16-6-9(8)14)12-17-11 (18-19-12)7-1-3-15-4-2-7/ h1-4,10,16H,5-6,13-14H2/t 10-/m0/s1; KXAQCSRJNBGLKH-JTQLQIEISA-N |
c1cnccc1c2nc(on2)C3CC(=C(CN3)N)N; NC1=C( N)C[C@H](NC1)c2onc(n2)c3ccncc3; c1cnccc1 c2nc(on2)[C@@H]3CC(=C(CN3)N)N; NC1=C(N)C [CH](NC1)c2onc(n2)c3ccncc3 |
(2~{S})-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine |
| 17266 |  A1JE6 |
2 | C13 H15 N3 O3 | InChI=1S/C13H15N3O3/c1-18 -10-4-2-8(3-5-10)12-15-13 (19-16-12)11-6-9(17)7-14- 11/h2-5,9,11,14,17H,6-7H2 ,1H3/t9-,11+/m1/s1; JTHXPLUWNAFDOP-KOLCDFICSA-N |
COc1ccc(cc1)c2nc(on2)C3CC(CN3)O; COc1ccc (cc1)c2nc(on2)[C@@H]3C[C@H](CN3)O; COc1c cc(cc1)c2noc(n2)[CH]3C[CH](O)CN3; COc1cc c(cc1)c2noc(n2)[C@@H]3C[C@@H](O)CN3 |
(3~{R},5~{S})-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
| 17267 |  A1JE7 |
2 | C10 H11 N5 O2 | InChI=1S/C10H11N5O2/c16-6 -3-7(13-4-6)10-14-9(15-17 -10)8-5-11-1-2-12-8/h1-2, 5-7,13,16H,3-4H2/t6-,7+/m 1/s1; PNMROIVKNKNEGP-RQJHMYQMSA-N |
c1cnc(cn1)c2nc(on2)C3CC(CN3)O; O[C@H]1CN [C@@H](C1)c2onc(n2)c3cnccn3; c1cnc(cn1)c 2nc(on2)[C@@H]3C[C@H](CN3)O; O[CH]1CN[CH ](C1)c2onc(n2)c3cnccn3 |
(3~{R},5~{S})-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol |
| 17268 |  A1JE8 |
3 | C12 H12 F N3 O2 | InChI=1S/C12H12FN3O2/c13- 8-3-1-7(2-4-8)11-15-12(18 -16-11)10-5-9(17)6-14-10/ h1-4,9-10,14,17H,5-6H2/t9 -,10+/m1/s1; FZFUFKCKPSCCJC-ZJUUUORDSA-N |
c1cc(ccc1c2nc(on2)C3CC(CN3)O)F; O[CH]1CN [CH](C1)c2onc(n2)c3ccc(F)cc3; c1cc(ccc1c 2nc(on2)[C@@H]3C[C@H](CN3)O)F; O[C@H]1CN [C@@H](C1)c2onc(n2)c3ccc(F)cc3 |
(3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol |
| 17269 |  A1JE9 |
2 | C13 H16 N2 O4 | InChI=1S/C13H16N2O4/c14-9 -6-17-12-10(7-18-11(9)12) 19-13(16)15-8-4-2-1-3-5-8 /h1-5,9-12H,6-7,14H2,(H,1 5,16)/t9-,10+,11+,12?/m0/ s1; KCHJVZDXMMIWQG-YZTHKRDXSA-N |
N[C@H]1CO[C@H]2[C@H](CO[C@H]12)OC(=O)Nc3 ccccc3; c1ccc(cc1)NC(=O)OC2COC3C2OCC3N; c1ccc(cc1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2O C[C@@H]3N; N[CH]1CO[CH]2[CH](CO[CH]12)OC (=O)Nc3ccccc3 |
[(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-phenylcarbamate |
| 17270 |  A1JED |
2 | C15 H15 N3 O3 | InChI=1S/C15H15N3O3/c1-17 -7-8-18-11(9-10-5-3-2-4-6 -10)16-14(20)13(19)12(18) 15(17)21/h2-6,19H,7-9H2,1 H3; RPOUCHBGKZYIOF-UHFFFAOYSA-N |
CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3 | 2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione |
| 17271 |  A1JEF |
1 | C14 H22 N2 O2 | InChI=1S/C14H22N2O2/c1-16 (8-7-11-5-3-2-4-6-11)9-13 -14(17)12(15)10-18-13/h2- 6,12-14,17H,7-10,15H2,1H3 /t12-,13-,14+/m0/s1; CNCOSNYJXCHGAS-MELADBBJSA-N |
CN(CCc1ccccc1)C[C@H]2[C@@H]([C@H](CO2)N) O; CN(CCc1ccccc1)C[CH]2OC[CH](N)[CH]2O; CN(CCc1ccccc1)C[C@@H]2OC[C@H](N)[C@H]2O; CN(CCc1ccccc1)CC2C(C(CO2)N)O |
(2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol |
| 17272 |  A1JEG |
1 | C9 H20 N2 O2 | InChI=1S/C9H20N2O2/c1-3-1 1(4-2)5-8-9(12)7(10)6-13- 8/h7-9,12H,3-6,10H2,1-2H3 /t7-,8+,9-/m1/s1; DDCDODLZUKEOBE-HRDYMLBCSA-N |
CCN(CC)C[C@@H]1OC[C@H](N)[C@H]1O; CCN(CC )CC1C(C(CO1)N)O; CCN(CC)C[CH]1OC[CH](N)[ CH]1O; CCN(CC)C[C@H]1[C@@H]([C@@H](CO1)N )O |
(2~{S},3~{R},4~{R})-4-azanyl-2-(diethylaminomethyl)oxolan-3-ol |
| 17273 |  A1JEH |
1 | C9 H18 N2 O3 | InChI=1S/C9H18N2O3/c10-7- 6-14-8(9(7)12)5-11-1-3-13 -4-2-11/h7-9,12H,1-6,10H2 /t7-,8?,9+/m0/s1; XZGYTFGXECDMCE-UBGVJBJISA-N |
C1COCCN1CC2C(C(CO2)N)O; C1COCCN1C[C@H]2[ C@@H]([C@H](CO2)N)O; N[C@H]1CO[C@@H](CN2 CCOCC2)[C@@H]1O; N[CH]1CO[CH](CN2CCOCC2) [CH]1O |
(2~{S},3~{R},4~{S})-4-azanyl-2-(morpholin-4-ylmethyl)oxolan-3-ol |
| 17274 |  A1JEI |
1 | C15 H22 N2 O4 | InChI=1S/C15H22N2O4/c18-9 -8-12-6-7-13(19)14(21-12) 10-16-15(20)17-11-4-2-1-3 -5-11/h1-5,12-14,18-19H,6 -10H2,(H2,16,17,20)/t12-, 13+,14?/m1/s1; POOIMVMZLXGVND-AMIUJLCOSA-N |
OCC[CH]1CC[CH](O)[CH](CNC(=O)Nc2ccccc2)O 1; OCC[C@@H]1CC[C@H](O)[C@@H](CNC(=O)Nc2 ccccc2)O1; c1ccc(cc1)NC(=O)NCC2C(CCC(O2) CCO)O; c1ccc(cc1)NC(=O)NC[C@@H]2[C@H](CC [C@H](O2)CCO)O |
1-[[(2~{R},3~{S},6~{S})-6-(2-hydroxyethyl)-3-oxidanyl-oxan-2-yl]methyl]-3-phenyl-urea |
| 17275 |  A1JEJ |
5 | C9 H11 N3 O3 S | InChI=1S/C9H11N3O3S/c13-1 6(14)8-2-1-3-11-9(8)15-7- 5-10-4-6(7)12-16/h1-3,6-7 ,10,12H,4-5H2; VPWBEBRXWCOSSU-UHFFFAOYSA-N |
c1cc2c(nc1)OC3CNCC3NS2(=O)=O; c1cc2c(nc1 )O[C@H]3CNC[C@H]3NS2(=O)=O; O=[S]1(=O)N[ CH]2CNC[CH]2Oc3ncccc13; O=[S]1(=O)N[C@@H ]2CNC[C@@H]2Oc3ncccc13 |
(3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide |
| 17276 |  A1JEK |
1 | C12 H13 F N2 O2 | InChI=1S/C12H13FN2O2/c1-1 5-9-5-14-6-11(9)17-10-4-7 (13)2-3-8(10)12(15)16/h2- 4,9,11,14H,5-6H2,1H3/t9-, 11+/m1/s1; FRGCXURCNXZWQM-KOLCDFICSA-N |
CN1[C@H]2CNC[C@H]2Oc3cc(ccc3C1=O)F; CN1C 2CNCC2Oc3cc(ccc3C1=O)F; CN1[CH]2CNC[CH]2 Oc3cc(F)ccc3C1=O; CN1[C@H]2CNC[C@H]2Oc3c c(F)ccc3C1=O |
(3~{a}~{S},10~{a}~{R})-8-fluoranyl-4-methyl-2,3,3~{a},10~{a}-tetrahydro-1~{H}-pyrrolo[3,4-b][1,4]benzoxazepin-5-one |
| 17277 |  A1JEL |
0 | C13 H21 N3 O2 S | InChI=1S/C13H21N3O2S/c17- 10-1-6-16(7-10)8-12-15-11 (9-19-12)13(18)2-4-14-5-3 -13/h9-10,14,17-18H,1-8H2; HKRDPRBIEVSRIY-UHFFFAOYSA-N |
O[CH]1CCN(C1)Cc2scc(n2)C3(O)CCNCC3; c1c( nc(s1)CN2CCC(C2)O)C3(CCNCC3)O; c1c(nc(s1 )CN2CC[C@H](C2)O)C3(CCNCC3)O; O[C@@H]1CC N(C1)Cc2scc(n2)C3(O)CCNCC3 |
4-[2-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol |
| 17278 |  A1JEM |
3 | C14 H17 F N4 O2 | InChI=1S/C14H17FN4O2/c1-2 -16-14(20)17-6-10-7-21-8- 13-18-11-5-9(15)3-4-12(11 )19(10)13/h3-5,10H,2,6-8H 2,1H3,(H2,16,17,20)/t10-/ m0/s1; FIFQDMOPOWKGIR-JTQLQIEISA-N |
CCNC(=O)NCC1COCc2n1c3ccc(cc3n2)F; CCNC(= O)NC[CH]1COCc2nc3cc(F)ccc3n12; CCNC(=O)N C[C@H]1COCc2n1c3ccc(cc3n2)F; CCNC(=O)NC[ C@H]1COCc2nc3cc(F)ccc3n12 |
1-ethyl-3-[[(4~{S})-8-fluoranyl-3,4-dihydro-1~{H}-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea |
| 17279 |  A1JEN |
2 | C13 H14 N2 O3 | InChI=1S/C13H14N2O3/c16-1 2(10-4-2-1-3-5-10)14-6-7- 15-11(8-14)9-18-13(15)17/ h1-5,11H,6-9H2/t11-/m1/s1; FNXRDCKOSXXTFN-LLVKDONJSA-N |
O=C1OC[C@H]2CN(CCN12)C(=O)c3ccccc3; c1cc c(cc1)C(=O)N2CCN3C(C2)COC3=O; O=C1OC[CH] 2CN(CCN12)C(=O)c3ccccc3; c1ccc(cc1)C(=O) N2CCN3[C@H](C2)COC3=O |
(8~{a}~{R})-7-(phenylcarbonyl)-5,6,8,8~{a}-tetrahydro-1~{H}-[1,3]oxazolo[3,4-a]pyrazin-3-one |
| 17280 |  A1JEO CHEMBL4916673 |
1 | C12 H17 N O4 S | InChI=1S/C12H17NO4S/c1-18 (14,15)12-4-2-10(3-5-12)1 7-11-8-13-6-7-16-9-11/h2- 5,11,13H,6-9H2,1H3; SZSFGBSJCMXRFJ-UHFFFAOYSA-N |
CS(=O)(=O)c1ccc(cc1)OC2CNCCOC2; CS(=O)(= O)c1ccc(cc1)O[C@@H]2CNCCOC2; C[S](=O)(=O )c1ccc(O[CH]2CNCCOC2)cc1; C[S](=O)(=O)c1 ccc(O[C@@H]2CNCCOC2)cc1 |
(6~{R})-6-(4-methylsulfonylphenoxy)-1,4-oxazepane |
| 17281 |  A1JEP |
2 | C12 H17 N3 O3 | InChI=1S/C12H17N3O3/c13-1 1-9(16)7-18-10(11)6-14-12 (17)15-8-4-2-1-3-5-8/h1-5 ,9-11,16H,6-7,13H2,(H2,14 ,15,17)/t9-,10-,11-/m1/s1; DKTRRSNZKYQBDN-GMTAPVOTSA-N |
c1ccc(cc1)NC(=O)NCC2C(C(CO2)O)N; N[C@@H] 1[C@@H](O)CO[C@@H]1CNC(=O)Nc2ccccc2; c1c cc(cc1)NC(=O)NC[C@@H]2[C@@H]([C@H](CO2)O )N; N[CH]1[CH](O)CO[CH]1CNC(=O)Nc2ccccc2 |
1-[[(2~{R},3~{R},4~{R})-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl]-3-phenyl-urea |
| 17282 |  A1JEQ |
2 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c1-18 -13(17)8-2-3-10-11(6-8)16 -12(15-10)9-4-5-14-7-9/h2 -3,6,9,14H,4-5,7H2,1H3,(H ,15,16)/t9-/m0/s1; FBNLOINYSAGAMH-VIFPVBQESA-N |
COC(=O)c1ccc2c(c1)nc([nH]2)C3CCNC3; COC( =O)c1ccc2[nH]c(nc2c1)[C@H]3CCNC3; COC(=O )c1ccc2[nH]c(nc2c1)[CH]3CCNC3; COC(=O)c1 ccc2c(c1)nc([nH]2)[C@H]3CCNC3 |
methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate |
| 17283 |  A1JER |
2 | C11 H12 Cl N3 O S | InChI=1S/C11H12ClN3OS/c12 -10-2-1-9(17-10)7-5-14-11 (15-7)8-6-16-4-3-13-8/h1- 2,5,8,13H,3-4,6H2,(H,14,1 5); BPWAXWDRVQSCAM-UHFFFAOYSA-N |
Clc1sc(cc1)c2c[nH]c(n2)[C@@H]3COCCN3; Cl c1sc(cc1)c2c[nH]c(n2)[CH]3COCCN3; c1cc(s c1c2c[nH]c(n2)C3COCCN3)Cl; c1cc(sc1c2c[n H]c(n2)[C@@H]3COCCN3)Cl |
(3~{R})-3-[4-(5-chloranylthiophen-2-yl)-1~{H}-imidazol-2-yl]morpholine |
| 17284 |  A1JES |
2 | C16 H20 N2 O3 | InChI=1S/C16H20N2O3/c17-1 0-16-14(19)7-6-13(20-16)8 -12-9-15(21-18-12)11-4-2- 1-3-5-11/h1-5,9,13-14,16, 19H,6-8,10,17H2/t13-,14+, 16-/m1/s1; HXZCECCEJVDGJR-IJEWVQPXSA-N |
c1ccc(cc1)c2cc(no2)CC3CCC(C(O3)CN)O; c1c cc(cc1)c2cc(no2)C[C@@H]3CC[C@@H]([C@H](O 3)CN)O; NC[CH]1O[CH](CC[CH]1O)Cc2cc(on2) c3ccccc3; NC[C@H]1O[C@@H](CC[C@@H]1O)Cc2 cc(on2)c3ccccc3 |
(2~{R},3~{S},6~{S})-2-(aminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol |
| 17285 |  A1JET |
1 | C12 H18 N2 O5 | InChI=1S/C12H18N2O5/c1-17 -12(16)10-7-19-11(14-10)9 (6-15)13-8-2-4-18-5-3-8/h 7-9,13,15H,2-6H2,1H3/t9-/ m0/s1; NTVUKUUZNZRSKG-VIFPVBQESA-N |
COC(=O)c1coc(n1)C(CO)NC2CCOCC2; COC(=O)c 1coc(n1)[CH](CO)NC2CCOCC2; COC(=O)c1coc( n1)[C@H](CO)NC2CCOCC2 |
methyl 2-[(1~{S})-1-(oxan-4-ylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate |
| 17286 |  A1JEU |
1 | C12 H18 N2 O5 | InChI=1S/C12H18N2O5/c1-12 (2,3)11(17)14-7(5-15)9-13 -8(6-19-9)10(16)18-4/h6-7 ,15H,5H2,1-4H3,(H,14,17)/ t7-/m1/s1; PHFVLKFIBVHYFY-SSDOTTSWSA-N |
CC(C)(C)C(=O)NC(CO)c1nc(co1)C(=O)OC; COC (=O)c1coc(n1)[CH](CO)NC(=O)C(C)(C)C; CC( C)(C)C(=O)N[C@H](CO)c1nc(co1)C(=O)OC; CO C(=O)c1coc(n1)[C@@H](CO)NC(=O)C(C)(C)C |
methyl 2-[(1~{R})-1-(2,2-dimethylpropanoylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate |
| 17287 |  A1JEV |
2 | C14 H17 Cl N2 O3 | InChI=1S/C14H17ClN2O3/c1- 16-13(18)12(9-4-6-10(15)7 -5-9)17-8-2-3-11(17)14(19 )20/h4-7,11-12H,2-3,8H2,1 H3,(H,16,18)(H,19,20)/t11 ?,12-/m0/s1; DTMLBCQUDFTTAJ-KIYNQFGBSA-N |
CNC(=O)[C@@H](c1ccc(cc1)Cl)N2CCC[C@H]2C( =O)O; CNC(=O)[C@H](N1CCC[C@H]1C(O)=O)c2c cc(Cl)cc2; CNC(=O)[CH](N1CCC[CH]1C(O)=O) c2ccc(Cl)cc2; CNC(=O)C(c1ccc(cc1)Cl)N2CC CC2C(=O)O |
(2~{S})-1-[(1~{R})-1-(4-chlorophenyl)-2-(methylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid |
| 17288 |  A1JEW |
2 | C12 H17 N O5 S | InChI=1S/C12H17NO5S/c1-8- 2-4-9(5-3-8)19(16,17)13-1 0-7-18-11(6-14)12(10)15/h 2-5,10-15H,6-7H2,1H3/t10- ,11+,12+/m1/s1; KNXLYBHKYGGURU-WOPDTQHZSA-N |
Cc1ccc(cc1)S(=O)(=O)NC2COC(C2O)CO; Cc1cc c(cc1)S(=O)(=O)N[C@@H]2CO[C@@H]([C@H]2O) CO; Cc1ccc(cc1)[S](=O)(=O)N[CH]2CO[CH](C O)[CH]2O; Cc1ccc(cc1)[S](=O)(=O)N[C@@H]2 CO[C@H](CO)[C@H]2O |
~{N}-[(3~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methyl-benzenesulfonamide |
| 17289 |  A1JEX |
1 | C16 H14 N4 O2 | InChI=1S/C16H14N4O2/c21-1 6(12-7-17-10-18-8-12)20-6 -5-11(9-20)15-19-13-3-1-2 -4-14(13)22-15/h1-4,7-8,1 0-11H,5-6,9H2/t11-/m1/s1; JUWYCARWXYZNFM-LLVKDONJSA-N |
c1ccc2c(c1)nc(o2)C3CCN(C3)C(=O)c4cncnc4; O=C(N1CC[C@@H](C1)c2oc3ccccc3n2)c4cncnc 4; c1ccc2c(c1)nc(o2)[C@H]3CCN(C3)C(=O)c4 cncnc4; O=C(N1CC[CH](C1)c2oc3ccccc3n2)c4 cncnc4 |
[(3~{S})-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyrimidin-5-yl-methanone |
| 17290 |  A1JEY CHEMBL3437482 |
2 | C11 H12 N4 O | InChI=1S/C11H12N4O/c1-4-1 2-5-2-8(1)10-14-15-11(16- 10)9-3-6-13-7-9/h1-2,4-5, 9,13H,3,6-7H2/t9-/m1/s1; RBACDHUYCHTGCT-SECBINFHSA-N |
C1C[C@@H](CN1)c2oc(nn2)c3ccncc3; C1C[CH] (CN1)c2oc(nn2)c3ccncc3; c1cnccc1c2nnc(o2 )C3CCNC3; c1cnccc1c2nnc(o2)[C@H]3CCNC3 |
2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
| 17291 |  A1JEZ |
2 | C12 H12 Cl N3 O | InChI=1S/C12H12ClN3O/c13- 10-3-1-8(2-4-10)11-15-16- 12(17-11)9-5-6-14-7-9/h1- 4,9,14H,5-7H2/t9-/m0/s1; VHJVJWRMODPOQH-VIFPVBQESA-N |
c1cc(ccc1c2nnc(o2)C3CCNC3)Cl; c1cc(ccc1c 2nnc(o2)[C@H]3CCNC3)Cl; Clc1ccc(cc1)c2oc (nn2)[C@H]3CCNC3; Clc1ccc(cc1)c2oc(nn2)[ CH]3CCNC3 |
2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole |
| 17292 |  A1JF2 |
2 | C18 H16 F2 N2 O2 | InChI=1S/C18H16F2N2O2/c19 -13-5-6-14(15(20)8-13)17( 23)10-21-9-12-7-11-3-1-2- 4-16(11)22-18(12)24/h1-8, 17,21,23H,9-10H2,(H,22,24 )/t17-/m0/s1; POJLSDJIUXVBDQ-KRWDZBQOSA-N |
O[CH](CNCc1cc2ccccc2nc1O)c3ccc(F)cc3F; c 1ccc2c(c1)cc(c(n2)O)CNCC(c3ccc(cc3F)F)O; O[C@@H](CNCc1cc2ccccc2nc1O)c3ccc(F)cc3F ; c1ccc2c(c1)cc(c(n2)O)CNC[C@@H](c3ccc(c c3F)F)O |
3-[[[(2~{R})-2-[2,4-bis(fluoranyl)phenyl]-2-oxidanyl-ethyl]amino]methyl]quinolin-2-ol |
| 17293 |  A1JF3 |
2 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-1 1(9-17-16(19)14-4-3-12(2) 20-14)18-7-5-15-13(10-18) 6-8-21-15/h3-4,6,8,11H,5, 7,9-10H2,1-2H3,(H,17,19)/ t11-/m0/s1; XOVXAOJJTXHVTL-NSHDSACASA-N |
Cc1ccc(o1)C(=O)NCC(C)N2CCc3c(ccs3)C2; Cc 1ccc(o1)C(=O)NC[C@H](C)N2CCc3c(ccs3)C2; C[CH](CNC(=O)c1oc(C)cc1)N2CCc3sccc3C2; C [C@@H](CNC(=O)c1oc(C)cc1)N2CCc3sccc3C2 |
~{N}-[(2~{S})-2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)propyl]-5-methyl-furan-2-carboxamide |
| 17294 |  A1JF7 |
2 | C10 H8 Br N5 O3 | InChI=1S/C10H8BrN5O3/c11- 8-2-1-7(5-9(8)16(18)19)13 -10(17)6-15-4-3-12-14-15/ h1-5H,6H2,(H,13,17); JWYPHVGKUYHWNL-UHFFFAOYSA-N |
[O-][N+](=O)c1cc(NC(=O)Cn2ccnn2)ccc1Br; c1cc(c(cc1NC(=O)Cn2ccnn2)[N+](=O)[O-])Br |
~{N}-(4-bromanyl-3-nitro-phenyl)-2-(1,2,3-triazol-1-yl)ethanamide |
| 17295 |  A1JF8 |
2 | C15 H15 F N4 O3 | InChI=1S/C15H15FN4O3/c16- 10-5-6-11(13(7-10)20(22)2 3)15(21)17-14-8-12(18-19- 14)9-3-1-2-4-9/h5-9H,1-4H 2,(H2,17,18,19,21); CQBSPGYQXPGRJJ-UHFFFAOYSA-N |
[O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2 )C3CCCC3; c1cc(c(cc1F)[N+](=O)[O-])C(=O) Nc2cc([nH]n2)C3CCCC3 |
~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide |
| 17296 |  A1JFA |
3 | C13 H13 N O5 | InChI=1S/C13H13NO5/c1-7(1 5)10-11(14-19-12(10)13(16 )17)8-3-5-9(18-2)6-4-8/h3 -7,15H,1-2H3,(H,16,17)/t7 -/m0/s1; OUKPMYRBFFIDOB-ZETCQYMHSA-N |
CC(c1c(noc1C(=O)O)c2ccc(cc2)OC)O; COc1cc c(cc1)c2noc(C(O)=O)c2[C@H](C)O; C[C@@H]( c1c(noc1C(=O)O)c2ccc(cc2)OC)O; COc1ccc(c c1)c2noc(C(O)=O)c2[CH](C)O |
3-(4-methoxyphenyl)-4-[(1~{S})-1-oxidanylethyl]-1,2-oxazole-5-carboxylic acid |
| 17297 |  A1JFB |
1 | C30 H40 N4 O3 | InChI=1S/C30H40N4O3/c31-2 6-25(27(35)33-28-7-10-29( 36,11-8-28)12-9-28)15-21( 17-32-26)20-1-3-22(4-2-20 )30-16-23(30)18-34(19-30) 24-5-13-37-14-6-24/h1,4,1 5,17,23-24,36H,2-3,5-14,1 6,18-19H2,(H2,31,32)(H,33 ,35)/t23-,28-,29+,30+/m1/ s1; FZBUJPGOPVXCQM-HYPLZALKSA-N |
c1c(cnc(c1C(=O)NC23CCC(CC2)(CC3)O)N)C4=C CC(=CC4)C56CC5CN(C6)C7CCOCC7; Nc1ncc(cc1 C(=O)NC23CCC(O)(CC2)CC3)C4=CCC(=CC4)[C]5 6C[CH]5CN(C6)C7CCOCC7; c1c(cnc(c1C(=O)NC 23CCC(CC2)(CC3)O)N)C4=CCC(=CC4)[C@@]56C[ C@@H]5CN(C6)C7CCOCC7; Nc1ncc(cc1C(=O)NC2 3CCC(O)(CC2)CC3)C4=CCC(=CC4)[C@@]56C[C@@ H]5CN(C6)C7CCOCC7 |
Zilurgisertib; 2-azanyl-5-[4-[(1~{R},5~{S})-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,4-dien-1-yl]-~{N}-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide |
| 17298 |  A1JFD |
2 | C4 H8 O10 V2 | InChI=1S/C4H5O5.4H2O.O.2V /c5-2(4(8)9)1-3(6)7;;;;;; ;/h2H,1H2,(H,6,7)(H,8,9); 4*1H2;;;/q+1;;;;;;+2;+3/p -5/t2-;;;;;;;/m0......./s 1; SZLWDXFDQGIOCQ-DXXUISRYSA-I |
C(C1C(=O)O[V]2([O+]1[V](O2)(O)O)(O)O)C(= O)O; C([C@H]1C(=O)O[V]2([O+]1[V](O2)(O)O )(O)O)C(=O)O; OC(=O)C[C@@H]1[O+]2[V](O)( O)O[V]2(O)(O)OC1=O; OC(=O)C[CH]1[O+]2[V] (O)(O)O[V]2(O)(O)OC1=O |
2-[(4~{S})-1,1,6,6-tetrakis(oxidanyl)-3-oxidanylidene-2,5$l^{3},7-trioxa-1$l^{5},6$l^{4}-divanadabicyclo[3.2.0]heptan-4-yl]ethanoic acid; dioxovanadium(V) complex of malic acid |
| 17299 |  A1JFJ CHEMBL3823838 |
2 | C13 H15 N5 O | InChI=1S/C13H15N5O/c1-8-7 -12(19)16-13(15-8)18-17-9 (2)10-3-5-11(14)6-4-10/h3 -7H,14H2,1-2H3,(H2,15,16, 18,19)/b17-9+; BIKKGLWZIUKTFP-RQZCQDPDSA-N |
CC1=CC(=O)N=C(N1)N/N=C(\C)/c2ccc(cc2)N; CC1=CC(=O)N=C(N\N=C(C)\c2ccc(N)cc2)N1; C C1=CC(=O)N=C(N1)NN=C(C)c2ccc(cc2)N; CC1= CC(=O)N=C(NN=C(C)c2ccc(N)cc2)N1 |
2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one |
| 17300 |  A1JFU |
1 | C10 H13 F2 N O | InChI=1S/C10H13F2NO/c1-10 (2,6-13)14-9-4-7(11)3-8(1 2)5-9/h3-5H,6,13H2,1-2H3; JZJWBJNYSITKQL-UHFFFAOYSA-N |
CC(C)(CN)Oc1cc(cc(c1)F)F; CC(C)(CN)Oc1cc (F)cc(F)c1 |
2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-propan-1-amine |
| 17301 |  A1JFV |
1 | C14 H13 F N2 O | InChI=1S/C14H13FN2O/c15-1 2-6-4-11(5-7-12)14(18)17- 13-3-1-2-10(8-13)9-16/h1- 8H,9,16H2,(H,17,18); BXXGLZQHWVCWBM-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=O)c2ccc(cc2)F)CN; NCc1ccc c(NC(=O)c2ccc(F)cc2)c1 |
~{N}-[3-(aminomethyl)phenyl]-4-fluoranyl-benzamide |
| 17302 |  A1JFX |
2 | C28 H26 N10 O | InChI=1S/C28H26N10O/c1-37 -28(35-25(36-37)24-16-19- 7-6-18(17-29)14-23(19)34- 24)33-21-8-12-38(13-9-21) 26(39)20-4-2-5-22(15-20)3 2-27-30-10-3-11-31-27/h2- 7,10-11,14-16,21,34H,8-9, 12-13H2,1H3,(H,30,31,32)( H,33,35,36); MFOILUADHAWEJH-UHFFFAOYSA-N |
Cn1nc(nc1NC2CCN(CC2)C(=O)c3cccc(Nc4ncccn 4)c3)c5[nH]c6cc(ccc6c5)C#N; Cn1c(nc(n1)c 2cc3ccc(cc3[nH]2)C#N)NC4CCN(CC4)C(=O)c5c ccc(c5)Nc6ncccn6 |
2-[1-methyl-5-[[1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]amino]-1,2,4-triazol-3-yl]-1~{H}-indole-6-carbonitrile |
| 17303 |  A1JFZ |
1 | C13 H20 N2 O2 | InChI=1S/C13H20N2O2/c1-9- 7-10(2)17-12(9)13(16)15-6 -4-5-11(15)8-14-3/h7,11,1 4H,4-6,8H2,1-3H3/t11-/m0/ s1; JLLBQEBBDUVKRO-NSHDSACASA-N |
Cc1cc(oc1C(=O)N2CCC[C@H]2CNC)C; CNC[CH]1 CCCN1C(=O)c2oc(C)cc2C; Cc1cc(oc1C(=O)N2C CCC2CNC)C; CNC[C@@H]1CCCN1C(=O)c2oc(C)cc 2C |
(3,5-dimethylfuran-2-yl)-[(2~{S})-2-(methylaminomethyl)pyrrolidin-1-yl]methanone |
| 17304 |  A1JG0 |
5 | C28 H33 N3 O9 | InChI=1S/C28H33N3O9/c1-5- 14(2)24-28(38)39-16(4)21( 31-25(35)18-9-6-10-20(32) 23(18)34)26(36)30-19(12-1 7-8-7-11-29-13-17)22(33)1 5(3)27(37)40-24/h6-11,13, 15-16,19,21-22,32-34H,5,1 2H2,1-4H3,(H,30,36)(H,31, 35)/b24-14-; IJTJSDNFFYBIKM-OYKKKHCWSA-N |
CCC(/C)=C1\OC(=O)[C@H](C)[C@H](O)[C@H](C c2cccnc2)NC(=O)[C@@H](NC(=O)c3cccc(O)c3O )[C@@H](C)OC1=O; CC/C(=C\1/C(=O)O[C@@H]( [C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C )O)Cc2cccnc2)NC(=O)c3cccc(c3O)O)C)/C; CC C(C)=C1OC(=O)[CH](C)[CH](O)[CH](Cc2cccnc 2)NC(=O)[CH](NC(=O)c3cccc(O)c3O)[CH](C)O C1=O; CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O) O1)C)O)Cc2cccnc2)NC(=O)c3cccc(c3O)O)C)C |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2,3-bis(oxidanyl)benzamide |
| 17305 |  A1JG1 |
5 | C27 H32 N4 O8 | InChI=1S/C27H32N4O8/c1-5- 14(2)23-27(37)38-16(4)21( 31-24(34)18-13-29-10-8-20 (18)32)25(35)30-19(11-17- 7-6-9-28-12-17)22(33)15(3 )26(36)39-23/h6-10,12-13, 15-16,19,21-22,33H,5,11H2 ,1-4H3,(H,29,32)(H,30,35) (H,31,34)/b23-14-; BQKPQROCFQELBJ-UCQKPKSFSA-N |
CCC(/C)=C1\OC(=O)[C@H](C)[C@H](O)[C@H](C c2cccnc2)NC(=O)[C@@H](NC(=O)c3cnccc3O)[C @@H](C)OC1=O; CC/C(=C\1/C(=O)O[C@@H]([C@ @H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O) Cc2cccnc2)NC(=O)c3cnccc3O)C)/C; CCC(=C1C (=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)Cc2cccn c2)NC(=O)c3cnccc3O)C)C; CCC(C)=C1OC(=O)[ CH](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](N C(=O)c3cnccc3O)[CH](C)OC1=O |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-oxidanyl-pyridine-3-carboxamide |
| 17306 |  A1JG2 |
4 | C24 H29 N5 O8 S | InChI=1S/C24H29N5O8S/c1-5 -11(2)19-24(35)36-13(4)16 (27-21(32)17-22(33)29-38- 28-17)20(31)26-15(9-14-7- 6-8-25-10-14)18(30)12(3)2 3(34)37-19/h6-8,10,12-13, 15-16,18,30H,5,9H2,1-4H3, (H,26,31)(H,27,32)(H,29,3 3)/b19-11-; ABSWTSVYTVMXJK-ODLFYWEKSA-N |
CCC(=C1C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([ C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c 3c(nsn3)O)C)C; CCC(C)=C1OC(=O)[CH](C)[CH ](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3ns nc3O)[CH](C)OC1=O; CCC(=C1C(=O)OC(C(C(=O )NC(C(C(C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c( nsn3)O)C)C; CCC(/C)=C1\OC(=O)[C@H](C)[C@ H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O) c3nsnc3O)[C@@H](C)OC1=O |
~{N}-[(5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-oxidanyl-1,2,5-thiadiazole-3-carboxamide |
| 17307 |  A1JG3 |
4 | C28 H32 F N3 O8 | InChI=1S/C28H32FN3O8/c1-5 -14(2)24-28(38)39-16(4)21 (32-25(35)18-9-6-10-19(29 )23(18)34)26(36)31-20(12- 17-8-7-11-30-13-17)22(33) 15(3)27(37)40-24/h6-11,13 ,15-16,20-22,33-34H,5,12H 2,1-4H3,(H,31,36)(H,32,35 )/b24-14-; SFZXQGFRHSUSNF-OYKKKHCWSA-N |
CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O )Cc2cccnc2)NC(=O)c3cccc(c3O)F)C)C; CC/C( =C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@ H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c ccc(c3O)F)C)/C; CCC(C)=C1OC(=O)[CH](C)[C H](O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3c ccc(F)c3O)[CH](C)OC1=O; CCC(/C)=C1\OC(=O )[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[ C@@H](NC(=O)c3cccc(F)c3O)[C@@H](C)OC1=O |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-fluoranyl-2-oxidanyl-benzamide |
| 17308 |  A1JG4 CHEMBL4464825 |
1 | C20 H27 N3 O4 | InChI=1S/C20H27N3O4/c24-1 7-11-27-18-10-16(17)23-15 -6-5-12(9-14(15)18)7-8-21 -19(25)20(26)22-13-3-1-2- 4-13/h5-6,9,13,16-18,23-2 4H,1-4,7-8,10-11H2,(H,21, 25)(H,22,26)/t16-,17-,18- /m1/s1; TWJNDXFEOOUBGG-KZNAEPCWSA-N |
c1cc2c(cc1CCNC(=O)C(=O)NC3CCCC3)[C@H]4C[ C@@H](N2)[C@@H](CO4)O; c1cc2c(cc1CCNC(=O )C(=O)NC3CCCC3)C4CC(N2)C(CO4)O; O[C@@H]1 CO[C@@H]2C[C@H]1Nc3ccc(CCNC(=O)C(=O)NC4C CCC4)cc23; O[CH]1CO[CH]2C[CH]1Nc3ccc(CCN C(=O)C(=O)NC4CCCC4)cc23 |
~{N}'-cyclopentyl-~{N}-[2-[(1~{R},9~{R},10~{S})-10-oxidanyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-4-yl]ethyl]ethanediamide |
| 17309 |  A1JG8 |
2 | C12 H10 Cl N5 O2 | InChI=1S/C12H10ClN5O2/c1- 20-10(19)6-18-5-9(16-17-1 8)11-7-2-3-14-12(7)15-4-8 (11)13/h2-5H,6H2,1H3,(H,1 4,15); NOOIPQAWJDLJNS-UHFFFAOYSA-N |
COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl; COC (=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
methyl 2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanoate |
| 17310 |  A1JG9 |
2 | C15 H11 N3 O4 | InChI=1S/C15H11N3O4/c16-1 3(19)8-1-3-9(4-2-8)22-10- 5-6-11-12(7-10)15(21)18-1 7-14(11)20/h1-7H,(H2,16,1 9)(H,17,20)(H,18,21); WMQQQNFHADZJGQ-UHFFFAOYSA-N |
NC(=O)c1ccc(Oc2ccc3C(=O)NNC(=O)c3c2)cc1; c1cc(ccc1C(=O)N)Oc2ccc3c(c2)C(=O)NNC3=O |
4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]oxy]benzamide |
| 17311 |  A1JGB |
2 | C21 H20 N2 O S | InChI=1S/C21H20N2OS/c24-2 1(11-16-5-3-9-22-14-16)23 (15-20-8-4-10-25-20)19-12 -17-6-1-2-7-18(17)13-19/h 1-10,14,19H,11-13,15H2; FYMHTTNRRYHYMD-UHFFFAOYSA-N |
c1ccc2c(c1)CC(C2)N(Cc3cccs3)C(=O)Cc4cccn c4; O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4 C3 |
~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide |
| 17312 |  A1JGC |
2 | C16 H13 Cl F N3 O3 | InChI=1S/C16H13ClFN3O3/c1 7-10-5-4-8(6-11(10)18)9-7 -13(9)20-16(22)15-12(19)2 -1-3-14(15)21(23)24/h1-6, 9,13H,7,19H2,(H,20,22)/t9 -,13+/m0/s1; SICLOXFVNCVVMM-TVQRCGJNSA-N |
c1cc(c(c(c1)[N+](=O)[O-])C(=O)NC2CC2c3cc c(c(c3)F)Cl)N; Nc1cccc(c1C(=O)N[CH]2C[CH ]2c3ccc(Cl)c(F)c3)[N+]([O-])=O; Nc1cccc( c1C(=O)N[C@@H]2C[C@H]2c3ccc(Cl)c(F)c3)[N +]([O-])=O; c1cc(c(c(c1)[N+](=O)[O-])C(= O)N[C@@H]2C[C@H]2c3ccc(c(c3)F)Cl)N |
2-azanyl-~{N}-[(1~{R},2~{S})-2-(4-chloranyl-3-fluoranyl-phenyl)cyclopropyl]-6-nitro-benzamide |
| 17313 |  A1JGD |
2 | C22 H26 N2 O4 | InChI=1S/C22H26N2O4/c1-3- 11-27-19-10-9-15(13-20(19 )28-12-4-2)23-22(26)17-14 -21(25)24-18-8-6-5-7-16(1 7)18/h5-10,13,17H,3-4,11- 12,14H2,1-2H3,(H,23,26)(H ,24,25)/t17-/m1/s1; XUDBSYQVOOKJKF-QGZVFWFLSA-N |
CCCOc1ccc(cc1OCCC)NC(=O)[C@@H]2CC(=O)Nc3 c2cccc3; CCCOc1ccc(cc1OCCC)NC(=O)C2CC(=O )Nc3c2cccc3; CCCOc1ccc(NC(=O)[C@@H]2CC(= O)Nc3ccccc23)cc1OCCC; CCCOc1ccc(NC(=O)[C H]2CC(=O)Nc3ccccc23)cc1OCCC |
(4~{R})-~{N}-(3,4-dipropoxyphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
| 17314 |  A1JGE |
2 | C13 H9 N3 | InChI=1S/C13H9N3/c1-2-6-1 2-10(4-1)9-15-13(16-12)11 -5-3-7-14-8-11/h1-9H; KMEWEQWECBYQNW-UHFFFAOYSA-N |
c1ccc2c(c1)cnc(n2)c3cccnc3; c1ccc2nc(ncc 2c1)c3cccnc3 |
2-pyridin-3-ylquinazoline |
| 17315 |  A1JGF |
2 | C18 H17 Cl N6 | InChI=1S/C18H17ClN6/c19-1 4-6-7-16-15(8-14)22-18(11 -24-12-21-17(9-20)23-24)2 5(16)10-13-4-2-1-3-5-13/h 1-8,12H,9-11,20H2; AJMPAXTYEVALRO-UHFFFAOYSA-N |
c1ccc(cc1)Cn2c3ccc(cc3nc2Cn4cnc(n4)CN)Cl ; NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1 |
[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine |
| 17316 |  A1JGG |
2 | C9 H7 N7 S2 | InChI=1S/C9H7N7S2/c1-17-9 -14-7-6(18-9)8(12-3-11-7) 16-4-13-5(2-10)15-16/h2-4 ,10H,1H3/b10-2-; XKPVMXACNRMMTL-SGAXSIHGSA-N |
CSc1sc2c(ncnc2n3cnc(C=N)n3)n1; [H]/N=C\c 1ncn(n1)c2c3c(ncn2)nc(s3)SC; CSc1nc2c(s1 )c(ncn2)n3cnc(n3)C=N |
[1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)-1,2,4-triazol-3-yl]methanimine |
| 17317 |  A1JGH |
1 | C18 H14 N4 S | InChI=1S/C18H14N4S/c1-2-5 -13-12(4-1)10-19-11-15(13 )16-20-17(22-7-3-8-22)14- 6-9-23-18(14)21-16/h1-2,4 -6,9-11H,3,7-8H2; IPBQBMBMLXGYGS-UHFFFAOYSA-N |
C1CN(C1)c2nc(nc3sccc23)c4cncc5ccccc45; c 1ccc2c(c1)cncc2c3nc(c4ccsc4n3)N5CCC5 |
4-(azetidin-1-yl)-2-isoquinolin-4-yl-thieno[2,3-d]pyrimidine |
| 17318 |  A1JGI |
2 | C17 H16 F N5 O2 | InChI=1S/C17H16FN5O2/c1-2 2(16(17(19)25)11-5-4-6-12 (18)9-11)15(24)10-23-14-8 -3-2-7-13(14)20-21-23/h2- 9,16H,10H2,1H3,(H2,19,25) /t16-/m1/s1; ULGRLEZJIFPGJR-MRXNPFEDSA-N |
CN(C(c1cccc(c1)F)C(=O)N)C(=O)Cn2c3ccccc3 nn2; CN([C@H](c1cccc(c1)F)C(=O)N)C(=O)Cn 2c3ccccc3nn2; CN([C@@H](C(N)=O)c1cccc(F) c1)C(=O)Cn2nnc3ccccc23; CN([CH](C(N)=O)c 1cccc(F)c1)C(=O)Cn2nnc3ccccc23 |
(2~{R})-2-[2-(benzotriazol-1-yl)ethanoyl-methyl-amino]-2-(3-fluorophenyl)ethanamide |
| 17319 |  A1JGJ |
3 | O36 V15 | InChI=1S/36O.15V; MLPKQJKZYNCEKM-UHFFFAOYSA-N |
O=[V]123O[V]45(=O)O6[V]78(=O)O1[V]91(=O) O7[V]7%10(=O)O9[V]9%11(=O)O7[V]7%12(=O)O 9[V]9%13(=O)O%11[V]%11(=O)(O12)O3[V]1(=O )(O%119)O4[V]23(=O)O1[V]1(=O)(O%13)O7[V] 4(=O)(O12)O%12[V]1(=O)(O%10)O8[V]6(=O)(O 53)O14; O=[V]1O[V](=O)O[V]2(=O)O[V]3(=O) O[V](=O)(O1)O[V]4(=O)O[V](=O)O[V](=O)(O[ V]5(=O)O[V](=O)(O4)O5)O[V]6(=O)O[V](=O)( O3)O[V](=O)(O2)O[V]7(=O)O[V](=O)(O6)O7 |
Polyoxidovanadate complex |
| 17320 |  A1JGK |
2 | C20 H17 F N2 O2 S | InChI=1S/C20H17FN2O2S/c21 -13-5-6-15-16(10-19(24)23 -17(15)9-13)20(25)22-8-7- 12-11-26-18-4-2-1-3-14(12 )18/h1-6,9,11,16H,7-8,10H 2,(H,22,25)(H,23,24)/t16- /m1/s1; LVJKCNKRPTXXRR-MRXNPFEDSA-N |
c1ccc2c(c1)c(cs2)CCNC(=O)C3CC(=O)Nc4c3cc c(c4)F; c1ccc2c(c1)c(cs2)CCNC(=O)[C@@H]3 CC(=O)Nc4c3ccc(c4)F; Fc1ccc2[CH](CC(=O)N c2c1)C(=O)NCCc3csc4ccccc34; Fc1ccc2[C@@H ](CC(=O)Nc2c1)C(=O)NCCc3csc4ccccc34 |
(4~{R})-~{N}-[2-(1-benzothiophen-3-yl)ethyl]-7-fluoranyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide |
| 17321 |  A1JGL |
1 | C30 H40 N2 O4 S | InChI=1S/C30H40N2O4S/c1-2 0-7-11-24(12-8-20)31-27(3 3)36-19-30-18-32(17-23(30 )15-22-16-26(30)29(22,5)6 )37(34,35)25-13-9-21(10-1 4-25)28(2,3)4/h7-14,22-23 ,26H,15-19H2,1-6H3,(H,31, 33)/t22-,23+,26+,30+/m0/s 1; WZIVXKXJEWHYHH-RCLWPAGBSA-N |
Cc1ccc(cc1)NC(=O)OC[C@]23CN(C[C@H]2C[C@H ]4C[C@@H]3C4(C)C)S(=O)(=O)c5ccc(cc5)C(C) (C)C; Cc1ccc(NC(=O)OC[C@]23CN(C[C@H]2C[C @H]4C[C@@H]3C4(C)C)[S](=O)(=O)c5ccc(cc5) C(C)(C)C)cc1; Cc1ccc(cc1)NC(=O)OCC23CN(C C2CC4CC3C4(C)C)S(=O)(=O)c5ccc(cc5)C(C)(C )C; Cc1ccc(NC(=O)OC[C]23CN(C[CH]2C[CH]4C [CH]3C4(C)C)[S](=O)(=O)c5ccc(cc5)C(C)(C) C)cc1 |
[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-methylphenyl)carbamate |
| 17322 |  A1JGM |
2 | C11 H8 I N3 O | InChI=1S/C11H8IN3O/c12-8- 1-3-10(4-2-8)16-11-5-9(6- 13)14-7-15-11/h1-7,13H/b1 3-6+; JDKLMVUMEZXJLE-AWNIVKPZSA-N |
c1cc(ccc1Oc2cc(ncn2)C=N)I; Ic1ccc(Oc2cc( C=N)ncn2)cc1; [H]/N=C/c1cc(ncn1)Oc2ccc(c c2)I |
[6-(4-iodanylphenoxy)pyrimidin-4-yl]methanimine |
| 17323 |  A1JGN |
2 | C18 H17 N3 O2 | InChI=1S/C18H17N3O2/c22-1 6-10-15(14-5-2-8-19-17(14 )21-16)18(23)20-13-4-1-3- 12(9-13)11-6-7-11/h1-5,8- 9,11,15H,6-7,10H2,(H,20,2 3)(H,19,21,22)/t15-/m1/s1; BALOQYJNAMGVIL-OAHLLOKOSA-N |
O=C1C[CH](C(=O)Nc2cccc(c2)C3CC3)c4cccnc4 N1; O=C1C[C@@H](C(=O)Nc2cccc(c2)C3CC3)c4 cccnc4N1; c1cc(cc(c1)NC(=O)C2CC(=O)Nc3c2 cccn3)C4CC4; c1cc(cc(c1)NC(=O)[C@@H]2CC( =O)Nc3c2cccn3)C4CC4 |
(4~{R})-~{N}-(3-cyclopropylphenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-1,8-naphthyridine-4-carboxamide |
| 17324 |  A1JGO |
2 | C17 H15 F N4 O S | InChI=1S/C17H15FN4OS/c18- 11-5-6-16-12(9-11)13(7-8- 24-16)20-17(23)21-22-10-1 9-14-3-1-2-4-15(14)22/h1- 6,9-10,13H,7-8H2,(H2,20,2 1,23)/t13-/m0/s1; UYXIALZFEONGAS-ZDUSSCGKSA-N |
Fc1ccc2SCC[C@H](NC(=O)Nn3cnc4ccccc34)c2c 1; c1ccc2c(c1)ncn2NC(=O)N[C@H]3CCSc4c3cc (cc4)F; Fc1ccc2SCC[CH](NC(=O)Nn3cnc4cccc c34)c2c1; c1ccc2c(c1)ncn2NC(=O)NC3CCSc4c 3cc(cc4)F |
1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea |
| 17325 |  A1JGP |
2 | C12 H14 Cl2 N4 O2 | InChI=1S/C12H14Cl2N4O2/c1 3-8-1-2-10(14)11(3-8)20-6 -9(19)5-18-7-16-12(4-15)1 7-18/h1-3,7,9,19H,4-6,15H 2/t9-/m1/s1; JFKYCZYNJAAIKX-SECBINFHSA-N |
NCc1ncn(C[CH](O)COc2cc(Cl)ccc2Cl)n1; c1c c(c(cc1Cl)OC[C@@H](Cn2cnc(n2)CN)O)Cl; NC c1ncn(C[C@@H](O)COc2cc(Cl)ccc2Cl)n1; c1c c(c(cc1Cl)OCC(Cn2cnc(n2)CN)O)Cl |
(2~{R})-1-[3-(aminomethyl)-1,2,4-triazol-1-yl]-3-[2,5-bis(chloranyl)phenoxy]propan-2-ol |
| 17326 |  A1JGQ |
1 | C18 H16 F N3 O4 S | InChI=1S/C18H16FN3O4S/c1- 3-26-18(25)15-10(2)14-16( 27-15)20-9-22(17(14)24)8- 13(23)21-12-7-5-4-6-11(12 )19/h4-7,9H,3,8H2,1-2H3,( H,21,23); DZNORLMIVACGBN-UHFFFAOYSA-N |
CCOC(=O)c1c(c2c(s1)N=CN(C2=O)CC(=O)Nc3cc ccc3F)C; CCOC(=O)c1sc2N=CN(CC(=O)Nc3cccc c3F)C(=O)c2c1C |
ethyl 3-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate |
| 17327 |  A1JGR |
1 | C17 H27 N3 O2 | InChI=1S/C17H27N3O2/c1-13 -11-16(19-22-13)12-20(17( 21)18-15-7-8-15)10-9-14-5 -3-2-4-6-14/h11,14-15H,2- 10,12H2,1H3,(H,18,21); VJGMJLHHJYCGIH-UHFFFAOYSA-N |
Cc1cc(no1)CN(CCC2CCCCC2)C(=O)NC3CC3; Cc1 onc(CN(CCC2CCCCC2)C(=O)NC3CC3)c1 |
1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea |
| 17328 |  A1JGS |
2 | C15 H14 F N3 O | InChI=1S/C15H14FN3O/c16-1 3-4-1-5-14-12(13)6-8-19(1 4)15(20)18-10-11-3-2-7-17 -9-11/h1-5,7,9H,6,8,10H2, (H,18,20); DGFUELLQAAIEAI-UHFFFAOYSA-N |
c1cc2c(c(c1)F)CCN2C(=O)NCc3cccnc3; Fc1cc cc2N(CCc12)C(=O)NCc3cccnc3 |
4-fluoranyl-~{N}-(pyridin-3-ylmethyl)-2,3-dihydroindole-1-carboxamide |
| 17329 |  A1JGT |
2 | C22 H22 F N3 O2 S | InChI=1S/C22H22FN3O2S/c23 -20-8-4-9-21-19(20)11-14- 26(21)22(27)25(16-18-10-1 2-24-29-18)13-5-15-28-17- 6-2-1-3-7-17/h1-4,6-10,12 H,5,11,13-16H2; WXAUFINAUCZLAN-UHFFFAOYSA-N |
c1ccc(cc1)OCCCN(Cc2ccns2)C(=O)N3CCc4c3cc cc4F; Fc1cccc2N(CCc12)C(=O)N(CCCOc3ccccc 3)Cc4sncc4 |
4-fluoranyl-~{N}-(3-phenoxypropyl)-~{N}-(1,2-thiazol-5-ylmethyl)-2,3-dihydroindole-1-carboxamide |
| 17330 |  A1JGU |
2 | C16 H14 Br N3 O2 | InChI=1S/C16H14BrN3O2/c1- 11(12-5-3-2-4-6-12)19-10- 15(21)20(16(19)22)14-7-13 (17)8-18-9-14/h2-9,11H,10 H2,1H3/t11-/m1/s1; QPEUGNNQMPQVEX-LLVKDONJSA-N |
CC(c1ccccc1)N2CC(=O)N(C2=O)c3cc(cnc3)Br; C[C@@H](N1CC(=O)N(C1=O)c2cncc(Br)c2)c3c cccc3; C[C@H](c1ccccc1)N2CC(=O)N(C2=O)c3 cc(cnc3)Br; C[CH](N1CC(=O)N(C1=O)c2cncc( Br)c2)c3ccccc3 |
3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione |
| 17331 |  A1JGV |
2 | C15 H10 Br F2 N3 O2 | InChI=1S/C15H10BrF2N3O2/c 16-10-4-11(6-19-5-10)21-1 4(22)8-20(15(21)23)7-9-1- 2-12(17)13(18)3-9/h1-6H,7 -8H2; ZDYFOKFBXSALJG-UHFFFAOYSA-N |
Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F ; c1cc(c(cc1CN2CC(=O)N(C2=O)c3cc(cnc3)Br )F)F |
1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione |
| 17332 |  A1JGW |
5 | C28 H33 N3 O8 | InChI=1S/C28H33N3O8/c1-5- 15(2)24-28(37)38-17(4)22( 31-25(34)19-10-6-7-11-21( 19)32)26(35)30-20(13-18-9 -8-12-29-14-18)23(33)16(3 )27(36)39-24/h6-12,14,16- 17,20,22-23,32-33H,5,13H2 ,1-4H3,(H,30,35)(H,31,34) /b24-15-; ATVCZOYMHUQOLB-IWIPYMOSSA-N |
CCC(C)=C1OC(=O)[CH](C)[CH](O)[CH](Cc2ccc nc2)NC(=O)[CH](NC(=O)c3ccccc3O)[CH](C)OC 1=O; CCC(=C1C(=O)O[C@@H]([C@@H](C(=O)N[C @H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC (=O)c3ccccc3O)C)C; CCC(/C)=C1\OC(=O)[C@H ](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H] (NC(=O)c3ccccc3O)[C@@H](C)OC1=O; CCC(=C1 C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)Cc2ccc nc2)NC(=O)c3ccccc3O)C)C |
~{N}-[(5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-2-oxidanyl-benzamide |
| 17333 |  A1JGX |
6 | C27 H31 F N4 O8 | InChI=1S/C27H31FN4O8/c1-5 -13(2)23-27(38)39-15(4)19 (32-25(36)20-22(34)17(28) 8-10-30-20)24(35)31-18(11 -16-7-6-9-29-12-16)21(33) 14(3)26(37)40-23/h6-10,12 ,14-15,18-19,21,33-34H,5, 11H2,1-4H3,(H,31,35)(H,32 ,36)/b23-13-; AUOUIUKDXVYAOO-QRVIBDJDSA-N |
CC/C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H ]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(= O)c3c(c(ccn3)F)O)C)/C; CCC(C)=C1OC(=O)[C H](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC (=O)c3nccc(F)c3O)[CH](C)OC1=O; CCC(/C)=C 1\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2) NC(=O)[C@@H](NC(=O)c3nccc(F)c3O)[C@@H](C )OC1=O; CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(= O)O1)C)O)Cc2cccnc2)NC(=O)c3c(c(ccn3)F)O) C)C |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-fluoranyl-3-oxidanyl-pyridine-2-carboxamide |
| 17334 |  A1JGY |
5 | C27 H31 Cl N4 O8 | InChI=1S/C27H31ClN4O8/c1- 5-13(2)23-27(38)39-15(4)1 9(32-25(36)20-22(34)17(28 )8-10-30-20)24(35)31-18(1 1-16-7-6-9-29-12-16)21(33 )14(3)26(37)40-23/h6-10,1 2,14-15,18-19,21,33-34H,5 ,11H2,1-4H3,(H,31,35)(H,3 2,36)/b23-13-; NUJGMBMWTLDLIX-QRVIBDJDSA-N |
CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O )Cc2cccnc2)NC(=O)c3c(c(ccn3)Cl)O)C)C; CC /C(=C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]( [C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O) c3c(c(ccn3)Cl)O)C)/C; CCC(C)=C1OC(=O)[CH ](C)[CH](O)[CH](Cc2cccnc2)NC(=O)[CH](NC( =O)c3nccc(Cl)c3O)[CH](C)OC1=O; CCC(/C)=C 1\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2) NC(=O)[C@@H](NC(=O)c3nccc(Cl)c3O)[C@@H]( C)OC1=O |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-4-chloranyl-3-oxidanyl-pyridine-2-carboxamide |
| 17335 |  A1JGZ |
4 | C26 H31 N5 O8 | InChI=1S/C26H31N5O8/c1-5- 13(2)21-26(37)38-15(4)18( 31-24(35)19-22(33)29-10-9 -28-19)23(34)30-17(11-16- 7-6-8-27-12-16)20(32)14(3 )25(36)39-21/h6-10,12,14- 15,17-18,20,32H,5,11H2,1- 4H3,(H,29,33)(H,30,34)(H, 31,35)/b21-13-; YONUESXBMZATMJ-BKUYFWCQSA-N |
CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O )Cc2cccnc2)NC(=O)c3c(nccn3)O)C)C; CC/C(= C\1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H ]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c( nccn3)O)C)/C; CCC(C)=C1OC(=O)[CH](C)[CH] (O)[CH](Cc2cccnc2)NC(=O)[CH](NC(=O)c3ncc nc3O)[CH](C)OC1=O; CCC(/C)=C1\OC(=O)[C@H ](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H] (NC(=O)c3nccnc3O)[C@@H](C)OC1=O |
~{N}-[(2~{Z},5~{R},6~{S},9~{S},10~{S},11~{R})-2-butan-2-ylidene-5,11-dimethyl-10-oxidanyl-3,7,12-tris(oxidanylidene)-9-(pyridin-3-ylmethyl)-1,4-dioxa-8-azacyclododec-6-yl]-3-oxidanyl-pyrazine-2-carboxamide |
| 17336 |  A1JH1 |
8 | C52 H64 N12 O6 S2 | InChI=1S/C52H64N12O6S2/c1 -30-27-62(22-9-23-63(30)4 9-55-20-16-36(58-49)44-60 -48(70-61-44)51(6)17-7-10 -38-40(51)35(25-53)43(54) 72-38)21-8-11-39(66)52(18 -19-52)47(69)59-42(50(3,4 )5)46(68)64-28-34(65)24-3 7(64)45(67)56-26-32-12-14 -33(15-13-32)41-31(2)57-2 9-71-41/h12-16,20,29-30,3 4,37,42,65H,7-11,17-19,21 -24,26-28,54H2,1-6H3,(H,5 6,67)(H,59,69)/t30-,34+,3 7-,42+,51-/m0/s1; UAFPJAPDACDHGY-IOXAJLSUSA-N |
Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H] (CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C(= O)CCCN5CCCN([C@H](C5)C)c6nccc(n6)c7nc(on 7)[C@]8(CCCc9c8c(c(s9)N)C#N)C)O; Cc1c(sc n1)c2ccc(cc2)CNC(=O)C3CC(CN3C(=O)C(C(C)( C)C)NC(=O)C4(CC4)C(=O)CCCN5CCCN(C(C5)C)c 6nccc(n6)c7nc(on7)C8(CCCc9c8c(c(s9)N)C#N )C)O; C[CH]1CN(CCCN1c2nccc(n2)c3noc(n3)[ C]4(C)CCCc5sc(N)c(C#N)c45)CCCC(=O)C6(CC6 )C(=O)N[CH](C(=O)N7C[CH](O)C[CH]7C(=O)NC c8ccc(cc8)c9scnc9C)C(C)(C)C; C[C@H]1CN(C CCN1c2nccc(n2)c3noc(n3)[C@@]4(C)CCCc5sc( N)c(C#N)c45)CCCC(=O)C6(CC6)C(=O)N[C@H](C (=O)N7C[C@H](O)C[C@H]7C(=O)NCc8ccc(cc8)c 9scnc9C)C(C)(C)C |
(2~{S},4~{R})-1-[(2~{S})-2-[[1-[4-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butanoyl]cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17337 |  A1JH4 |
1 | C27 H27 Cl N4 O6 S | InChI=1S/C27H27ClN4O6S/c2 8-23-9-4-19(17-26(23)38-3 9(34,35)36)24-10-11-25(37 -24)27(33)32(18-20-3-1-2- 12-30-20)22-7-5-21(6-8-22 )31-15-13-29-14-16-31/h1- 12,17,29,34-36H,13-16,18H 2; OYYFNINEAKHFQQ-UHFFFAOYSA-N |
O[S](O)(O)Oc1cc(ccc1Cl)c2oc(cc2)C(=O)N(C c3ccccn3)c4ccc(cc4)N5CCNCC5; c1ccnc(c1)C N(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc (c(c5)OS(O)(O)O)Cl |
5-[3-[bis(oxidanyl)-$l^{3}-sulfanyl]oxy-4-chloranyl-phenyl]-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide |
| 17338 |  A1JH5 |
2 | C19 H25 Cl N4 O2 | InChI=1S/C19H25ClN4O2/c1- 19(2,3)18(26)24-10-8-23(9 -11-24)17(25)15-12-21-16( 22-15)13-4-6-14(20)7-5-13 /h4,6-7,12,21-22H,5,8-11H 2,1-3H3/b16-13-; NKIIVXBCLGCNED-SSZFMOIBSA-N |
CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2=CNC(=C3CC =C(C=C3)Cl)N2; CC(C)(C)C(=O)N1CCN(CC1)C( =O)C2=CN/C(=C\3/CC=C(C=C3)Cl)/N2; CC(C)( C)C(=O)N1CCN(CC1)C(=O)C2=CNC(N2)=C3CC=C( Cl)C=C3; CC(C)(C)C(=O)N1CCN(CC1)C(=O)C2= CN\C(N2)=C/3CC=C(Cl)C=C/3 |
1-[4-[[(2~{E})-2-(4-chloranylcyclohexa-2,4-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]carbonyl]piperazin-1-yl]-2,2-dimethyl-propan-1-one |
| 17339 |  A1JH6 |
1 | C24 H21 F6 N O2 | InChI=1S/C24H21F6NO2/c1-1 0-16(22(32)33)4-5-17-18-1 1-2-3-12(6-11)19(18)21(31 -20(10)17)13-7-14(23(25,2 6)27)9-15(8-13)24(28,29)3 0/h4-5,7-9,11-12,18-19,21 ,31H,2-3,6H2,1H3,(H,32,33 )/t11-,12+,18-,19-,21+/m0 /s1; ZDLBBVTYBSLWNB-PSPNCCEFSA-N |
Cc1c2N[C@@H]([C@H]3[C@@H]4CC[C@@H](C4)[C @H]3c2ccc1C(O)=O)c5cc(cc(c5)C(F)(F)F)C(F )(F)F; Cc1c(ccc2c1NC(C3C2C4CCC3C4)c5cc(c c(c5)C(F)(F)F)C(F)(F)F)C(=O)O; Cc1c(ccc2 c1N[C@@H]([C@@H]3[C@H]2[C@H]4CC[C@@H]3C4 )c5cc(cc(c5)C(F)(F)F)C(F)(F)F)C(=O)O; Cc 1c2N[CH]([CH]3[CH]4CC[CH](C4)[CH]3c2ccc1 C(O)=O)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
FN558 |
| 17340 |  A1JH7 |
1 | C12 H16 F N O | InChI=1S/C12H16FNO/c1-8(1 4)10-4-5-12(11(13)6-10)15 -7-9-2-3-9/h4-6,8-9H,2-3, 7,14H2,1H3/t8-/m0/s1; CCNWTEVVKOBOCR-QMMMGPOBSA-N |
CC(c1ccc(c(c1)F)OCC2CC2)N; C[C@H](N)c1cc c(OCC2CC2)c(F)c1; C[C@@H](c1ccc(c(c1)F)O CC2CC2)N; C[CH](N)c1ccc(OCC2CC2)c(F)c1 |
(1~{S})-1-[4-(cyclopropylmethoxy)-3-fluoranyl-phenyl]ethanamine |
| 17341 |  A1JH8 |
2 | C11 H14 O4 | InChI=1S/C11H14O4/c1-13-9 -5-4-8(6-11(12)15-3)10(7- 9)14-2/h4-5,7H,6H2,1-3H3; IEVKGWFWALGWGF-UHFFFAOYSA-N |
COC(=O)Cc1ccc(OC)cc1OC; COc1ccc(c(c1)OC) CC(=O)OC |
methyl 2-(2,4-dimethoxyphenyl)ethanoate |
| 17342 |  A1JH9 |
0 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-11-7 -2-3-9-8(6-7)10-4-5-12-9/ h2-3,6,10H,4-5H2,1H3; XLJYIYIBJUWRLF-UHFFFAOYSA-N |
COc1ccc2OCCNc2c1; COc1ccc2c(c1)NCCO2 | 6-methoxy-3,4-dihydro-2~{H}-1,4-benzoxazine |
| 17343 |  A1JHA |
1 | C15 H11 F N2 O3 | InChI=1S/C15H11FN2O3/c16- 10-3-1-2-9(6-10)8-21-11-4 -5-12-13(7-11)15(20)18-17 -14(12)19/h1-7H,8H2,(H,17 ,19)(H,18,20); LEOOYIUKKYKHFE-UHFFFAOYSA-N |
Fc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1; c1c c(cc(c1)F)COc2ccc3c(c2)C(=O)NNC3=O |
6-[(3-fluorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione |
| 17344 |  A1JHB |
1 | C16 H13 F N2 O3 | InChI=1S/C16H13FN2O3/c17- 14-4-2-1-3-10(14)7-8-22-1 1-5-6-12-13(9-11)16(21)19 -18-15(12)20/h1-6,9H,7-8H 2,(H,18,20)(H,19,21); YEMZLKBVSQOAOO-UHFFFAOYSA-N |
c1ccc(c(c1)CCOc2ccc3c(c2)C(=O)NNC3=O)F; Fc1ccccc1CCOc2ccc3C(=O)NNC(=O)c3c2 |
6-[2-(2-fluorophenyl)ethoxy]-2,3-dihydrophthalazine-1,4-dione |
| 17345 |  A1JHC |
11 | C15 H11 Cl N2 O3 | InChI=1S/C15H11ClN2O3/c16 -10-3-1-2-9(6-10)8-21-11- 4-5-12-13(7-11)15(20)18-1 7-14(12)19/h1-7H,8H2,(H,1 7,19)(H,18,20); SEISNDDCVIFKTB-UHFFFAOYSA-N |
Clc1cccc(COc2ccc3C(=O)NNC(=O)c3c2)c1; c1 cc(cc(c1)Cl)COc2ccc3c(c2)C(=O)NNC3=O |
6-[(3-chlorophenyl)methoxy]-2,3-dihydrophthalazine-1,4-dione |
| 17346 |  A1JHI |
8 | C50 H63 N15 O4 S | InChI=1S/C50H63N15O4S/c1- 29(2)43(47(68)64-28-34(66 )23-40(64)46(67)54-25-32- 11-13-33-26-55-61(5)39(33 )22-32)65-38-14-12-31(21- 37(38)58-60-65)9-7-18-62- 19-8-20-63(30(3)27-62)49- 53-17-15-36(56-49)45-57-4 8(69-59-45)50(4)16-6-10-4 1-42(50)35(24-51)44(52)70 -41/h11,13,15,17,22,26,29 -31,34,40,43,66H,6-10,12, 14,16,18-21,23,25,27-28,5 2H2,1-5H3,(H,54,67)/t30-, 31?,34+,40+,43-,50+/m1/s1; BLVMQMPRWNDEDM-PLLZFGPZSA-N |
C[C@H]1CN(CCCN1c2nccc(n2)c3nc(on3)[C@]4( CCCc5c4c(c(s5)N)C#N)C)CCC[C@H]6CCc7c(nnn 7[C@@H](C(C)C)C(=O)N8C[C@@H](C[C@H]8C(=O )NCc9ccc1cnn(c1c9)C)O)C6; CC1CN(CCCN1c2n ccc(n2)c3nc(on3)C4(CCCc5c4c(c(s5)N)C#N)C )CCCC6CCc7c(nnn7C(C(C)C)C(=O)N8CC(CC8C(= O)NCc9ccc1cnn(c1c9)C)O)C6; CC(C)[C@H](n1 nnc2C[C@@H](CCCN3CCCN([C@@H](C)C3)c4nccc (n4)c5noc(n5)[C@@]6(C)CCCc7sc(N)c(C#N)c6 7)CCc12)C(=O)N8C[C@H](O)C[C@H]8C(=O)NCc9 ccc%10cnn(C)c%10c9; CC(C)[CH](n1nnc2C[CH ](CCCN3CCCN([CH](C)C3)c4nccc(n4)c5noc(n5 )[C]6(C)CCCc7sc(N)c(C#N)c67)CCc12)C(=O)N 8C[CH](O)C[CH]8C(=O)NCc9ccc%10cnn(C)c%10 c9 |
(2~{S},4~{R})-1-[(2~{S})-2-[(5~{S})-5-[3-[(3~{S})-4-[4-[5-[(4~{S})-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5~{H}-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]propyl]-4,5,6,7-tetrahydrobenzotriazol-1-yl]-3-methyl-butanoyl]-~{N}-[(1-methylindazol-6-yl)methyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 17347 |  A1JHL CHEMBL5605443 |
2 | C20 H20 F5 N3 O | InChI=1S/C20H20F5N3O/c1-1 1-4-13(6-15(5-11)20(23,24 )25)18(19(29)27-10-17(21) 22)28-16-3-2-12-8-26-9-14 (12)7-16/h2-7,17-18,26,28 H,8-10H2,1H3,(H,27,29)/t1 8-/m0/s1; DXHLVVVVEFLCRN-SFHVURJKSA-N |
Cc1cc(cc(c1)C(F)(F)F)[CH](Nc2ccc3CNCc3c2 )C(=O)NCC(F)F; Cc1cc(cc(c1)C(F)(F)F)[C@H ](Nc2ccc3CNCc3c2)C(=O)NCC(F)F; Cc1cc(cc( c1)C(F)(F)F)C(C(=O)NCC(F)F)Nc2ccc3c(c2)C NC3; Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)NC C(F)F)Nc2ccc3c(c2)CNC3 |
(2~{S})-~{N}-[2,2-bis(fluoranyl)ethyl]-2-(2,3-dihydro-1~{H}-isoindol-5-ylamino)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethanamide |
| 17348 |  A1JHM CHEMBL5604888 |
1 | C19 H25 Cl N4 O3 | InChI=1S/C19H25ClN4O3/c1- 19(2,11-25)23-17(26)12-7- 13(20)9-15(8-12)22-18(27) 16-6-5-14(21-16)10-24(3)4 /h5-9,21,25H,10-11H2,1-4H 3,(H,22,27)(H,23,26); ISSINQXJUZDLQL-UHFFFAOYSA-N |
CN(C)Cc1[nH]c(cc1)C(=O)Nc2cc(Cl)cc(c2)C( =O)NC(C)(C)CO; CC(C)(CO)NC(=O)c1cc(cc(c1 )Cl)NC(=O)c2ccc([nH]2)CN(C)C |
~{N}-[3-chloranyl-5-[(2-methyl-1-oxidanyl-propan-2-yl)carbamoyl]phenyl]-5-[(dimethylamino)methyl]-1~{H}-pyrrole-2-carboxamide |
| 17349 |  A1JHN CHEMBL5604332 |
2 | C16 H13 Cl N4 O | InChI=1S/C16H13ClN4O/c17- 11-4-13(14-8-19-21-15(14) 5-11)16(22)20-12-2-1-9-6- 18-7-10(9)3-12/h1-5,8,18H ,6-7H2,(H,19,21)(H,20,22); WHSNUVFYTJYWKN-UHFFFAOYSA-N |
c1cc2c(cc1NC(=O)c3cc(cc4c3cn[nH]4)Cl)CNC 2; Clc1cc2[nH]ncc2c(c1)C(=O)Nc3ccc4CNCc4 c3 |
6-chloranyl-~{N}-(2,3-dihydro-1~{H}-isoindol-5-yl)-1~{H}-indazole-4-carboxamide |
| 17350 |  A1JHO |
1 | C23 H19 F6 N O2 | InChI=1S/C23H19F6NO2/c24- 22(25,26)14-6-13(7-15(9-1 4)23(27,28)29)20-19-11-2- 1-10(5-11)18(19)16-4-3-12 (21(31)32)8-17(16)30-20/h 3-4,6-11,18-20,30H,1-2,5H 2,(H,31,32)/t10-,11+,18-, 19-,20+/m0/s1; GGGBDYORXLHJAW-QRHYTPHYSA-N |
OC(=O)c1ccc2[CH]3[CH]4CC[CH](C4)[CH]3[CH ](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F)F; OC (=O)c1ccc2[C@@H]3[C@H]4CC[C@H](C4)[C@@H] 3[C@H](Nc2c1)c5cc(cc(c5)C(F)(F)F)C(F)(F) F; c1cc2c(cc1C(=O)O)NC(C3C2C4CCC3C4)c5cc (cc(c5)C(F)(F)F)C(F)(F)F; c1cc2c(cc1C(=O )O)N[C@@H]([C@@H]3[C@H]2[C@H]4CC[C@@H]3C 4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
6S,6aS,7R,10S,10aR)-6-(3,5-bis(trifluoromethyl)phenyl)-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-3-carboxylic acid |
| 17351 |  A1JHR |
4 | C11 H22 N4 O5 | InChI=1S/C11H22N4O5/c12-5 -9(17)15-8(6-16)10(18)14- 4-2-1-3-7(13)11(19)20/h7- 8,16H,1-6,12-13H2,(H,14,1 8)(H,15,17)(H,19,20)/t7-, 8-/m0/s1; OXZXXPSZOGBIGZ-YUMQZZPRSA-N |
C(CCNC(=O)C(CO)NC(=O)CN)CC(C(=O)O)N; C(C CNC(=O)[C@H](CO)NC(=O)CN)C[C@@H](C(=O)O) N; NCC(=O)N[CH](CO)C(=O)NCCCC[CH](N)C(O) =O; NCC(=O)N[C@@H](CO)C(=O)NCCCC[C@H](N) C(O)=O |
Gly-Ser-epsilon-Lys; (2S)-2-azanyl-6-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic acid |
| 17352 |  A1JHT |
1 | C12 H14 N6 O6 S | InChI=1S/C12H14N6O6S/c13- 4-12(8-2-1-6-11(14)16-5-1 7-18(6)8)10(20)9(19)7(24- 12)3-23-25(15,21)22/h1-2, 5,7,9-10,19-20H,3H2,(H2,1 4,16,17)(H2,15,21,22)/t7- ,9-,10-,12+/m1/s1; FJNCCAYUKRYYJP-LTGWCKQJSA-N |
c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COS(=O)(=O )N)O)O)C#N; c1cc(n2c1c(ncn2)N)[C@]3([C@@ H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)C#N; Nc1ncnn2c1ccc2[C@@]3(O[C@H](CO[S](N)(=O )=O)[C@@H](O)[C@H]3O)C#N; Nc1ncnn2c1ccc2 [C]3(O[CH](CO[S](N)(=O)=O)[CH](O)[CH]3O) C#N |
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl sulfamate |
| 17353 |  A1JHV |
1 | C9 H8 N2 O3 S | InChI=1S/C9H8N2O3S/c1-4-5 (2)15-9-10-3-6(8(13)14)7( 12)11(4)9/h3H,1-2H3,(H,13 ,14); NTILPFUDSBFNQU-UHFFFAOYSA-N |
CC1=C(SC2=NC=C(C(=O)N12)C(=O)O)C; CC1=C( C)N2C(=NC=C(C(O)=O)C2=O)S1 |
2,3-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid |
| 17354 |  A1JI1 |
1 | C17 H13 F N4 O2 | InChI=1S/C17H13FN4O2/c1-2 4-12-5-2-10(3-6-12)9-22-1 6-15(20-21-22)13-7-4-11(1 8)8-14(13)17(23)19-16/h2- 8H,9H2,1H3,(H,19,23); MEHAKNNFHLEJIF-UHFFFAOYSA-N |
COc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N3 )F; COc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34) cc1 |
7-fluoranyl-3-[(4-methoxyphenyl)methyl]-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
| 17355 |  A1JI6 |
1 | C25 H44 O6 P2 S | InChI=1S/C25H44O6P2S/c1-2 1(2)11-7-12-22(3)13-8-14- 23(4)15-9-16-24(5)17-10-1 8-25(6)19-20-34-33(29,30) 31-32(26,27)28/h11,13,15, 17,19H,7-10,12,14,16,18,2 0H2,1-6H3,(H,29,30)(H2,26 ,27,28)/b22-13+,23-15+,24 -17+,25-19+; GLTFGFJVZBHKFR-GIXZANJISA-N |
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC S[P](O)(=O)O[P](O)(O)=O; CC(=CCC/C(=C/CC /C(=C/CC/C(=C/CC/C(=C/CSP(=O)(O)OP(=O)(O )O)/C)/C)/C)/C)C; CC(=CCCC(=CCCC(=CCCC(= CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C)C)C; C C(C)=CCCC(/C)=C/CC\C(C)=C\CCC(/C)=C/CC\C (C)=C\CS[P](O)(=O)O[P](O)(O)=O |
[(2~{E},6~{E},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]sulfanyl-phosphonooxy-phosphinic acid |
| 17356 |  A1JI7 |
1 | C32 H42 N4 O3 | InChI=1S/C32H42N4O3/c1-31 (2)11-16-35(17-12-31)22-2 6-8-9-28(29(37)20-26)34-2 4-32(38)13-18-36(19-14-32 )30-21-27(10-15-33-30)39- 23-25-6-4-3-5-7-25/h3-10, 15,20-21,34,37-38H,11-14, 16-19,22-24H2,1-2H3; GAHIZCZCARLBMT-UHFFFAOYSA-N |
CC1(C)CCN(CC1)Cc2ccc(NCC3(O)CCN(CC3)c4cc (OCc5ccccc5)ccn4)c(O)c2; CC1(CCN(CC1)Cc2 ccc(c(c2)O)NCC3(CCN(CC3)c4cc(ccn4)OCc5cc ccc5)O)C |
4-[[[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]amino]methyl]-1-(4-phenylmethoxypyridin-2-yl)piperidin-4-ol |
| 17357 |  A1JI8 |
3 | C31 H42 N6 O2 | InChI=1S/C31H42N6O2/c1-30 (2)10-14-36(15-11-30)21-2 5-8-9-26(27(38)18-25)33-2 2-31(39)12-16-37(17-13-31 )29-19-28(34-23-35-29)32- 20-24-6-4-3-5-7-24/h3-9,1 8-19,23,33,38-39H,10-17,2 0-22H2,1-2H3,(H,32,34,35); LGMWZDAECPCPJC-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(c(c2)O)NCC3(CCN(CC3)c 4cc(ncn4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)C c2ccc(NCC3(O)CCN(CC3)c4cc(NCc5ccccc5)ncn 4)c(O)c2 |
4-[[[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol |
| 17358 |  A1JIE |
1 | C16 H18 I N O | InChI=1S/C16H18INO/c1-18- 12-11-16(13-5-3-2-4-6-13) 19-15-9-7-14(17)8-10-15/h 2-10,16,18H,11-12H2,1H3/t 16-/m0/s1; BAEJWAJUFOTUFW-INIZCTEOSA-N |
CNCCC(c1ccccc1)Oc2ccc(cc2)I; CNCC[CH](Oc 1ccc(I)cc1)c2ccccc2; CNCC[C@@H](c1ccccc1 )Oc2ccc(cc2)I; CNCC[C@H](Oc1ccc(I)cc1)c2 ccccc2 |
(3~{S})-3-(4-iodanylphenoxy)-~{N}-methyl-3-phenyl-propan-1-amine |
| 17359 |  A1JIF |
1 | C18 H15 F N4 O | InChI=1S/C18H15FN4O/c1-2- 11-3-5-12(6-4-11)10-23-17 -16(21-22-23)14-8-7-13(19 )9-15(14)18(24)20-17/h3-9 H,2,10H2,1H3,(H,20,24); PVXPOUFJSHCZMZ-UHFFFAOYSA-N |
CCc1ccc(Cn2nnc3c2NC(=O)c4cc(F)ccc34)cc1; CCc1ccc(cc1)Cn2c3c(nn2)-c4ccc(cc4C(=O)N 3)F |
3-[(4-ethylphenyl)methyl]-7-fluoranyl-4~{H}-[1,2,3]triazolo[4,5-c]isoquinolin-5-one |
| 17360 |  A1JJ8 |
1 | C18 H18 F N3 O | InChI=1S/C18H18FN3O/c1-3- 16(23)20-18-15-6-4-5-12(2 )17(15)22(21-18)11-13-7-9 -14(19)10-8-13/h4-10H,3,1 1H2,1-2H3,(H,20,21,23); AFOUNTVOEGAGCF-UHFFFAOYSA-N |
CCC(=O)Nc1c2cccc(c2n(n1)Cc3ccc(cc3)F)C; CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13 |
~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide |
| 17361 |  A1JJA |
2 | C25 H35 N7 O | InChI=1S/C25H35N7O/c1-24( 2)8-10-30(11-9-24)13-19-4 -6-20(7-5-19)31-14-23(33) 29-25(15-31)16-32(17-25)2 2-12-21(26-3)27-18-28-22/ h4-7,12,18H,8-11,13-17H2, 1-3H3,(H,29,33)(H,26,27,2 8); UJYDWVTUEGVWPA-UHFFFAOYSA-N |
CNc1cc(ncn1)N2CC3(CN(CC(=O)N3)c4ccc(CN5C CC(C)(C)CC5)cc4)C2; CC1(CCN(CC1)Cc2ccc(c c2)N3CC(=O)NC4(C3)CN(C4)c5cc(ncn5)NC)C |
8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one |
| 17362 |  A1JJH |
1 | C25 H35 N7 O2 | InChI=1S/C25H35N7O2/c1-24 (2)6-8-30(9-7-24)12-18-4- 5-19(20(33)10-18)31-13-23 (34)29-25(14-31)15-32(16- 25)22-11-21(26-3)27-17-28 -22/h4-5,10-11,17,33H,6-9 ,12-16H2,1-3H3,(H,29,34)( H,26,27,28); UPJFRQDGSCJBKW-UHFFFAOYSA-N |
CC1(CCN(CC1)Cc2ccc(c(c2)O)N3CC(=O)NC4(C3 )CN(C4)c5cc(ncn5)NC)C; CNc1cc(ncn1)N2CC3 (CN(CC(=O)N3)c4ccc(CN5CCC(C)(C)CC5)cc4O) C2 |
8-[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]-2-[6-(methylamino)pyrimidin-4-yl]-2,5,8-triazaspiro[3.5]nonan-6-one |
| 17363 |  A1JJK |
1 | C18 H18 F N3 O S | InChI=1S/C18H18FN3OS/c1-2 -24-12-17(23)20-18-15-5-3 -4-6-16(15)22(21-18)11-13 -7-9-14(19)10-8-13/h3-10H ,2,11-12H2,1H3,(H,20,21,2 3); NOBRUCRPWOWGNN-UHFFFAOYSA-N |
CCSCC(=O)Nc1c2ccccc2n(n1)Cc3ccc(cc3)F; C CSCC(=O)Nc1nn(Cc2ccc(F)cc2)c3ccccc13 |
2-ethylsulfanyl-~{N}-[1-[(4-fluorophenyl)methyl]indazol-3-yl]ethanamide |
| 17364 |  A1JJN |
2 | C31 H32 Cl2 N2 O9 | InChI=1S/C31H32Cl2N2O9/c1 -17(36)35-26-23(37)14-31( 30(41)42,43-16-21-8-5-9-2 2(32)25(21)33)44-28(26)27 (39)24(38)15-34-29(40)20- 12-10-19(11-13-20)18-6-3- 2-4-7-18/h2-13,23-24,26-2 8,37-39H,14-16H2,1H3,(H,3 4,40)(H,35,36)(H,41,42)/t 23-,24+,26+,27+,28+,31+/m 0/s1; AEXVCMOHPCUNDQ-QOFYJGRBSA-N |
CC(=O)N[CH]1[CH](O)C[C](OCc2cccc(Cl)c2Cl )(O[CH]1[CH](O)[CH](O)CNC(=O)c3ccc(cc3)c 4ccccc4)C(O)=O; CC(=O)N[C@@H]1[C@H](C[C@ @](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccc(cc2 )c3ccccc3)O)O)(C(=O)O)OCc4cccc(c4Cl)Cl)O ; CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccc(cc2) c3ccccc3)O)O)(C(=O)O)OCc4cccc(c4Cl)Cl)O; CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2cccc( Cl)c2Cl)(O[C@H]1[C@H](O)[C@H](O)CNC(=O)c 3ccc(cc3)c4ccccc4)C(O)=O |
(2R,4S,5R,6R)-5-acetamido-2-[[2,3-bis(chloranyl)phenyl]methoxy]-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)carbonylamino]propyl]-4-oxidanyl-oxane-2-carboxylic acid |
| 17365 |  A1JJO |
6 | C34 H40 N8 O11 | InChI=1S/C34H40N8O11/c1-1 9-35-15-28(42(51)52)41(19 )18-25(44)17-40-16-24(38- 39-40)12-34(33(49)50)13-2 6(45)29(37-20(2)43)31(53- 34)30(47)27(46)14-36-32(4 8)23-10-8-22(9-11-23)21-6 -4-3-5-7-21/h3-11,15-16,2 5-27,29-31,44-47H,12-14,1 7-18H2,1-2H3,(H,36,48)(H, 37,43)(H,49,50)/t25-,26-, 27-,29+,30-,31+,34+/m0/s1; FRIYQLBYRJJVKV-OVWAZNNTSA-N |
CC(=O)N[CH]1[CH](O)C[C](Cc2cn(C[CH](O)Cn 3c(C)ncc3[N](=O)=O)nn2)(O[CH]1[CH](O)[CH ](O)CNC(=O)c4ccc(cc4)c5ccccc5)C(O)=O; CC (=O)N[C@@H]1[C@@H](O)C[C@@](Cc2cn(C[C@H] (O)Cn3c(C)ncc3[N](=O)=O)nn2)(O[C@H]1[C@@ H](O)[C@@H](O)CNC(=O)c4ccc(cc4)c5ccccc5) C(O)=O; Cc1ncc(n1CC(Cn2cc(nn2)CC3(CC(C(C (O3)C(C(CNC(=O)c4ccc(cc4)c5ccccc5)O)O)NC (=O)C)O)C(=O)O)O)N(=O)=O; Cc1ncc(n1C[C@H ](Cn2cc(nn2)C[C@@]3(C[C@@H]([C@H]([C@@H] (O3)[C@H]([C@H](CNC(=O)c4ccc(cc4)c5ccccc 5)O)O)NC(=O)C)O)C(=O)O)O)N(=O)=O |
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2S)-1,2-bis(oxidanyl)-3-[(4-phenylphenyl)carbonylamino]propyl]-2-[[1-[(2R)-3-(2-methyl-5-nitro-imidazol-1-yl)-2-oxidanyl-propyl]-1,2,3-triazol-4-yl]methyl]-4-oxidanyl-oxane-2-carboxylic acid |
| 17366 |  A1JJP |
5 | C40 H56 N4 O20 | InChI=1S/C40H56N4O20/c1-1 8(46)43-27-23(48)14-40(39 (56)57,64-35(27)29(50)24( 49)15-42-36(55)20-7-6-10- 22(13-20)60-21-8-4-3-5-9- 21)59-17-26-30(51)32(53)3 3(54)38(62-26)63-34-25(16 -45)61-37(58-12-11-41)28( 31(34)52)44-19(2)47/h3-10 ,13,23-35,37-38,45,48-54H ,11-12,14-17,41H2,1-2H3,( H,42,55)(H,43,46)(H,44,47 )(H,56,57)/t23-,24+,25+,2 6+,27+,28+,29+,30-,31+,32 -,33+,34+,35+,37+,38-,40+ /m0/s1; YCDIUIAVGBLVLU-LPKWDFCZSA-N |
CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2cccc(c2)Oc 3ccccc3)O)O)(C(=O)O)OCC4C(C(C(C(O4)OC5C( OC(C(C5O)NC(=O)C)OCCN)CO)O)O)O)O; CC(=O) N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H ](CNC(=O)c2cccc(c2)Oc3ccccc3)O)O)(C(=O)O )OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4) O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(= O)C)OCCN)CO)O)O)O)O; CC(=O)N[C@@H]1[C@@H ](O)[C@H](O[C@@H]2O[C@H](CO[C@@]3(C[C@H] (O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H ](O)CNC(=O)c4cccc(Oc5ccccc5)c4)C(O)=O)[C @H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O CCN; CC(=O)N[CH]1[CH](O)[CH](O[CH]2O[CH] (CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH ](O)[CH](O)CNC(=O)c4cccc(Oc5ccccc5)c4)C( O)=O)[CH](O)[CH](O)[CH]2O)[CH](CO)O[CH]1 OCCN |
(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-acetamido-6-(2-azanylethoxy)-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-[(1R,2R)-1,2-bis(oxidanyl)-3-[(3-phenoxyphenyl)carbonylamino]propyl]-4-oxidanyl-oxane-2-carboxylic acid |
| 17367 |  A1JJQ |
1 | C18 H16 F N3 O | InChI=1S/C18H16FN3O/c1-3- 16(23)20-18-15-6-4-5-12(2 )17(15)22(21-18)11-13-7-9 -14(19)10-8-13/h3-10H,1,1 1H2,2H3,(H,20,21,23); GYEFUDDVJWTYEA-UHFFFAOYSA-N |
Cc1cccc2c(NC(=O)C=C)nn(Cc3ccc(F)cc3)c12; Cc1cccc2c1n(nc2NC(=O)C=C)Cc3ccc(cc3)F |
~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide |
| 17368 |  A1JJT |
1 | H3 O6 V2 | InChI=1S/3H2O.3O.2V/h3*1H 2;;;;;/q;;;;;;+1;+2/p-3; HCAUPCZQPLEBSJ-UHFFFAOYSA-K |
O[V](=O)O[V](O)(O)=O; O[V](=O)O[V](=O)(O )O |
bis(oxidanyl)-oxidanylidene-(oxidanyl(oxidanylidene)vanadio)oxy-vanadium; [V(IV)O(acetylacetonate)2] |
| 17369 |  A1JJU |
2 | C21 H20 F N3 O2 S | InChI=1S/C21H20FN3O2S/c22 -28(26,27)16-8-4-5-14(11- 16)19-13-25(15-6-2-1-3-7- 15)20-17-9-10-23-21(17)24 -12-18(19)20/h4-5,8-13,15 H,1-3,6-7H2,(H,23,24); HVHFAYSIIPDURH-UHFFFAOYSA-N |
F[S](=O)(=O)c1cccc(c1)c2cn(C3CCCCC3)c4c5 cc[nH]c5ncc24; c1cc(cc(c1)S(=O)(=O)F)c2c n(c3c2cnc4c3cc[nH]4)C5CCCCC5 |
3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride |
| 17370 |  A1JK0 CHEMBL5558057 |
1 | C34 H38 N8 O4 S2 | InChI=1S/C34H38N8O4S2/c1- 24-16-25(2)37-34(36-24)47 -23-32(43)38-33-35-19-31( 48-33)18-27-4-3-5-30(17-2 7)46-22-28-21-42(40-39-28 )20-26-6-8-29(9-7-26)45-1 5-12-41-10-13-44-14-11-41 /h3-9,16-17,19,21H,10-15, 18,20,22-23H2,1-2H3,(H,35 ,38,43); CTNBHQJETORMIL-UHFFFAOYSA-N |
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3) OCc4cn(nn4)Cc5ccc(cc5)OCCN6CCOCC6)C; Cc1 cc(C)nc(SCC(=O)Nc2sc(Cc3cccc(OCc4cn(Cc5c cc(OCCN6CCOCC6)cc5)nn4)c3)cn2)n1 |
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-[[1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
| 17371 |  A1JK1 |
1 | C21 H21 N7 O2 S2 | InChI=1S/C21H21N7O2S2/c1- 13-6-14(2)25-21(24-13)31- 12-19(29)26-20-22-10-18(3 2-20)8-15-4-3-5-17(7-15)3 0-11-16-9-23-28-27-16/h3- 7,9-10H,8,11-12H2,1-2H3,( H,22,26,29)(H,23,27,28); FCCKWTVUSRPZAA-UHFFFAOYSA-N |
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3) OCc4c[nH]nn4)C; Cc1cc(C)nc(SCC(=O)Nc2sc( Cc3cccc(OCc4c[nH]nn4)c3)cn2)n1 |
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-~{N}-[5-[[3-(1~{H}-1,2,3-triazol-4-ylmethoxy)phenyl]methyl]-1,3-thiazol-2-yl]ethanamide |
| 17372 |  A1JK2 |
1 | C36 H42 N12 O15 P2 S2 | InChI=1S/C36H42N12O15P2S2 /c1-17-6-18(2)44-36(43-17 )66-14-25(49)45-35-38-10- 22(67-35)8-19-4-3-5-21(7- 19)58-11-20-9-42-46-48(20 )34-30(53)28(51)24(62-34) 13-60-65(56,57)63-64(54,5 5)59-12-23-27(50)29(52)33 (61-23)47-16-41-26-31(37) 39-15-40-32(26)47/h3-7,9- 10,15-16,23-24,27-30,33-3 4,50-53H,8,11-14H2,1-2H3, (H,54,55)(H,56,57)(H2,37, 39,40)(H,38,45,49)/t23-,2 4-,27-,28-,29-,30-,33-,34 +/m1/s1; VWUSCXRJWMSCLR-OBJNIKSESA-N |
Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3) OCc4cnnn4C5C(C(C(O5)COP(=O)(O)OP(=O)(O)O CC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)C; Cc 1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OC c4cnnn4[C@@H]5[C@@H]([C@@H]([C@H](O5)COP (=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@ @H](O6)n7cnc8c7ncnc8N)O)O)O)O)C; Cc1cc(C )nc(SCC(=O)Nc2sc(Cc3cccc(OCc4cnnn4[CH]5O [CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH] ([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[ CH]5O)c3)cn2)n1; Cc1cc(C)nc(SCC(=O)Nc2sc (Cc3cccc(OCc4cnnn4[C@H]5O[C@H](CO[P](O)( =O)O[P](O)(=O)OC[C@H]6O[C@H]([C@H](O)[C@ @H]6O)n7cnc8c(N)ncnc78)[C@@H](O)[C@H]5O) c3)cn2)n1 |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17373 |  A1JK3 |
1 | C17 H33 N3 | InChI=1S/C17H33N3/c1-3-5- 6-7-8-9-10-11-12-13-14-17 -16-20(15-4-2)19-18-17/h1 6H,3-15H2,1-2H3; QHYYMWDEHNCHNN-UHFFFAOYSA-N |
CCCCCCCCCCCCc1cn(CCC)nn1; CCCCCCCCCCCCc1 cn(nn1)CCC |
4-dodecyl-1-propyl-1,2,3-triazole |
| 17374 |  A1JK4 |
1 | C31 H53 N8 O13 P2 | InChI=1S/C31H53N8O13P2/c1 -3-5-6-7-8-9-10-11-12-13- 14-20-15-37(4-2)36-39(20) 31-27(43)25(41)22(51-31)1 7-49-54(46,47)52-53(44,45 )48-16-21-24(40)26(42)30( 50-21)38-19-35-23-28(32)3 3-18-34-29(23)38/h15,18-1 9,21-22,24-27,30-31,40-43 H,3-14,16-17H2,1-2H3,(H,4 4,45)(H,46,47)(H2,32,33,3 4)/t21-,22-,24-,25-,26-,2 7-,30-,31+/m1/s1; GFWUQLJUIKZAGW-VOYHIKFRSA-N |
CCCCCCCCCCCCC1=C[N](=NN1[C@@H]2[C@@H]([C @@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H ]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O )O)O)O)CC; CCCCCCCCCCCCc1c[n](CC)nn1[CH] 2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[C H]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O )[CH]2O; CCCCCCCCCCCCC1=C[N](=NN1C2C(C(C (O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cn c5c4ncnc5N)O)O)O)O)CC; CCCCCCCCCCCCc1c[n ](CC)nn1[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)n4cn c5c(N)ncnc45)[C@@H](O)[C@H]2O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-ethyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17375 |  A1JK5 |
1 | C16 H31 N3 | InChI=1S/C16H31N3/c1-3-5- 6-7-8-9-10-11-12-13-14-16 -15-19(4-2)18-17-16/h15H, 3-14H2,1-2H3; MQZBROJSZMBQFO-UHFFFAOYSA-N |
CCCCCCCCCCCCc1cn(nn1)CC; CCCCCCCCCCCCc1c n(CC)nn1 |
4-dodecyl-1-ethyl-1,2,3-triazole |
| 17376 |  A1JK6 |
3 | C27 H30 N4 O2 S | InChI=1S/C27H30N4O2S/c32- 26(33)22-7-6-21-8-9-29(16 -23(21)11-22)17-24-18-34- 27(28-24)31-14-19-10-20(1 5-31)13-30(12-19)25-4-2-1 -3-5-25/h1-7,11,18-20H,8- 10,12-17H2,(H,32,33)/t19- ,20+; XGAITRPKSKWJAF-BGYRXZFFSA-N |
c1ccc(cc1)N2C[C@H]3C[C@@H](C2)CN(C3)c4nc (cs4)CN5CCc6ccc(cc6C5)C(=O)O; OC(=O)c1cc c2CCN(Cc3csc(n3)N4C[C@H]5C[C@@H](C4)CN(C 5)c6ccccc6)Cc2c1; c1ccc(cc1)N2CC3CC(C2)C N(C3)c4nc(cs4)CN5CCc6ccc(cc6C5)C(=O)O; O C(=O)c1ccc2CCN(Cc3csc(n3)N4C[CH]5C[CH](C 4)CN(C5)c6ccccc6)Cc2c1 |
2-[[2-[(1~{R},5~{S})-7-phenyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid |
| 17377 |  A1JK7 |
1 | C39 H49 N12 O16 P2 S2 | InChI=1S/C39H48N12O16P2S2 /c1-20-9-21(2)46-39(45-20 )70-17-28(52)47-38-41-12- 25(71-38)11-22-5-4-6-24(1 0-22)62-14-23-13-49(7-8-6 1-3)48-51(23)37-33(56)31( 54)27(66-37)16-64-69(59,6 0)67-68(57,58)63-15-26-30 (53)32(55)36(65-26)50-19- 44-29-34(40)42-18-43-35(2 9)50/h4-6,9-10,12-13,18-1 9,26-27,30-33,36-37,53-56 H,7-8,11,14-17H2,1-3H3,(H 4-,40,41,42,43,47,52,57,5 8,59,60)/p+1/t26-,27-,30- ,31-,32-,33-,36-,37+/m1/s 1; XBMFFUZZZNZECK-XRRLOKFRSA-O |
COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4nc(C)c c(C)n4)nc3)c2)[n+](n1)[CH]5O[CH](CO[P](O )(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH] 6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O; Cc1cc (nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4c n(n[n+]4C5C(C(C(O5)COP(=O)(O)OP(=O)(O)OC C6C(C(C(O6)n7cnc8c7ncnc8N)O)O)O)O)CCOC)C ; Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c 3)OCc4cn(n[n+]4[C@@H]5[C@@H]([C@@H]([C@H ](O5)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([ C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)CC OC)C; COCCn1cc(COc2cccc(Cc3sc(NC(=O)CSc4 nc(C)cc(C)n4)nc3)c2)[n+](n1)[C@H]5O[C@H] (CO[P](O)(=O)O[P](O)(=O)OC[C@H]6O[C@H]([ C@H](O)[C@@H]6O)n7cnc8c(N)ncnc78)[C@@H]( O)[C@H]5O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-[5-[[3-[[2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,3-thiazol-5-yl]methyl]phenoxy]methyl]-3-(2-methoxyethyl)-1$l^{4},2,3-triazacyclopenta-1,4-dien-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17378 |  A1JK8 |
2 | C32 H55 N8 O13 P2 | InChI=1S/C32H54N8O13P2/c1 -3-5-6-7-8-9-10-11-12-13- 14-21-16-38(15-4-2)37-40( 21)32-28(44)26(42)23(52-3 2)18-50-55(47,48)53-54(45 ,46)49-17-22-25(41)27(43) 31(51-22)39-20-36-24-29(3 3)34-19-35-30(24)39/h16,1 9-20,22-23,25-28,31-32,41 -44H,3-15,17-18H2,1-2H3,( H3-,33,34,35,45,46,47,48) /p+1/t22-,23-,25-,26-,27- ,28-,31-,32+/m1/s1; GXGCWOFWCBSDFH-ZGLWUQATSA-O |
CCCCCCCCCCCCc1c[n+](CCC)nn1[CH]2O[CH](CO [P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O )[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CCCCCCCCCCCCc1c[n+](CCC)nn1[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; CCCCCCCCCCCCc1c[n+](nn1C2C(C(C (O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n4cn c5c4ncnc5N)O)O)O)O)CCC; CCCCCCCCCCCCc1c[ n+](nn1[C@@H]2[C@@H]([C@@H]([C@H](O2)COP (=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@ @H](O3)n4cnc5c4ncnc5N)O)O)O)O)CCC |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-(5-dodecyl-3-propyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 17379 |  A1JKB |
1 | C12 H20 N8 O21 V6 | InChI=1S/2C6H9N4O4.13O.6V /c2*7-10-8-1-5(14)9-6(2-1 1,3-12)4-13;;;;;;;;;;;;;; ;;;;;/h2*7H,1-4H2;;;;;;;; ;;;;;;;;;;;/q2*+3;;;;;;;; ;;;;;+1;;;;;;/p+2; XVJFWUBEIFDDMC-UHFFFAOYSA-P |
C1C2(C[O+]3[V]456(=O)[O+]1[V]789(=O)[O+] 414%10[V]33(=O)([O+]7C2)O[V]11(=O)(O5)[O +]2[V]4(=O)(O6)(O8)[O+]4[V]%10(=O)(O9)(O 3)[O+]1CC(C2)(C4)NC(=O)CN=[N+]=N)NC(=O)C N=[N+]=N; N=[N+]=NCC(=O)NC12C[O+]3[V]45( =O)O[V]678(=O)O[V]39%10(=O)O[V]%11%12%13 (=O)O[V]%14(=O)(O[V]%15(=O)(O4)([O+]6CC( C[O+]7%11)(C[O+]%12%15)NC(=O)CN=[N+]=N)[ O+]89%13%14)([O+]5C1)[O+]%10C2 |
Hexavanadate (V6-N3) polyoxometalate |
| 17380 |  A1JKC |
1 | C30 H46 N8 O33 V6 | InChI=1S/2C15H23N4O10.13O .6V/c2*20-3-9-11(25)12(26 )13(27)14(29-9)28-4-8-1-1 9(18-17-8)2-10(24)16-15(5 -21,6-22)7-23;;;;;;;;;;;; ;;;;;;;/h2*1,9,11-14,20,2 5-27H,2-7H2,(H,16,24);;;; ;;;;;;;;;;;;;;;/q2*+3;;;; ;;;;;;;;;+2;;;;;;/t2*9-,1 1+,12+,13-,14-;;;;;;;;;;; ;;;;;;;;/m11............. ....../s1; WGDAXUJCJKRWCR-DZQLIPTBSA-N |
c1c(nnn1CC(=O)NC23C[O+]4[V]567(=O)O[V]89 1(=O)[O+2]55%10%11[V]44(=O)(O8)O[V]558(= O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+]5C9) O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC(=O)Cn 1cc(nn1)COC1C(C(C(C(O1)CO)O)O)O)COC1C(C( C(C(O1)CO)O)O)O; c1c(nnn1CC(=O)NC23C[O+] 4[V]567(=O)O[V]891(=O)[O+2]55%10%11[V]44 (=O)(O8)O[V]558(=O)[O+]9CC9(C[O+]1[V]%10 (=O)(O6)([O+]5C9)O[V]%11(=O)(O8)([O+]7C2 )[O+]4C3)NC(=O)Cn1cc(nn1)CO[C@H]1[C@@H]( [C@H]([C@H]([C@H](O1)CO)O)O)O)CO[C@H]1[C @@H]([C@H]([C@H]([C@H](O1)CO)O)O)O; OC[C H]1O[CH](OCc2cn(CC(=O)NC34C[O+]5[V]678(= O)O[V]9%10%11(=O)O[V]5%12%13(=O)O[V]%14% 15%16(=O)O[V]%17(=O)(O[V]%18(=O)(O6)([O+ ]9CC(C[O+]%10%14)(C[O+]%15%18)NC(=O)Cn%1 9cc(CO[CH]%20O[CH](CO)[CH](O)[CH](O)[CH] %20O)nn%19)[O++]7%11%12%16%17)([O+]8C3)[ O+]%13C4)nn2)[CH](O)[CH](O)[CH]1O; OC[C@ H]1O[C@@H](OCc2cn(CC(=O)NC34C[O+]5[V]678 (=O)O[V]9%10%11(=O)O[V]5%12%13(=O)O[V]%1 4%15%16(=O)O[V]%17(=O)(O[V]%18(=O)(O6)([ O+]9CC(C[O+]%10%14)(C[O+]%15%18)NC(=O)Cn %19cc(CO[C@@H]%20O[C@H](CO)[C@H](O)[C@H] (O)[C@H]%20O)nn%19)[O++]7%11%12%16%17)([ O+]8C3)[O+]%13C4)nn2)[C@H](O)[C@@H](O)[C @H]1O |
Hexavanadate (V6-Man) polyoxometalate |
| 17381 |  A1JKF |
1 | C24 H38 N8 O21 V6 | InChI=1S/2C12H19N4O4.13O. 6V/c2*1-2-3-4-10-5-16(15- 14-10)6-11(20)13-12(7-17, 8-18)9-19;;;;;;;;;;;;;;;; ;;;/h2*5H,2-4,6-9H2,1H3,( H,13,20);;;;;;;;;;;;;;;;; ;;/q2*+3;;;;;;;;;;;;;+2;; ;;;;; VXUGKNCLVBNDIT-UHFFFAOYSA-N |
CCCCc1cn(nn1)CC(=O)NC23C[O+]4[V]567(=O)O [V]891(=O)[O+2]55%10%11[V]44(=O)(O8)O[V] 558(=O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+ ]5C9)O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC( =O)Cn1cc(nn1)CCCC; CCCCc1cn(CC(=O)NC23C[ O+]4[V]567(=O)O[V]89%10(=O)O[V]4%11%12(= O)O[V]%13%14%15(=O)O[V]%16(=O)(O[V]%17(= O)(O5)([O+]8CC(C[O+]9%13)(C[O+]%14%17)NC (=O)Cn%18cc(CCCC)nn%18)[O++]6%10%11%15%1 6)([O+]7C2)[O+]%12C3)nn1 |
Hexavanadate (V6-Hex) polyoxometalate |
| 17382 |  A1JKI CHEMBL452154 |
7 | C12 H14 O3 | InChI=1S/C12H14O3/c1-8(2) 3-4-9-7-10(12(14)15)5-6-1 1(9)13/h3,5-7,13H,4H2,1-2 H3,(H,14,15); LBSJJNAMGVDGCU-UHFFFAOYSA-N |
CC(=CCc1cc(ccc1O)C(=O)O)C; CC(C)=CCc1cc( ccc1O)C(O)=O |
3-(3-methylbut-2-enyl)-4-oxidanyl-benzoic acid |
| 17383 |  A1JKN |
9 | C4 H9 N O3 S | InChI=1S/C4H9NO3S/c6-9(7, 8)5-3-1-2-4-5/h1-4H2,(H,6 ,7,8); KQBOUIWARNMUDQ-UHFFFAOYSA-N |
O[S](=O)(=O)N1CCCC1; C1CCN(C1)S(=O)(=O)O | pyrrolidine-1-sulfonic acid |
| 17384 |  A1JKQ CHEMBL2063495 |
5 | C10 H7 F2 N3 O | InChI=1S/C10H7F2N3O/c11-7 -1-2-8(9(12)3-7)10(16)4-1 5-6-13-5-14-15/h1-3,5-6H, 4H2; XCHRPVARHBCFMJ-UHFFFAOYSA-N |
c1cc(c(cc1F)F)C(=O)Cn2cncn2; Fc1ccc(c(F) c1)C(=O)Cn2cncn2 |
1-[2,4-bis(fluoranyl)phenyl]-2-(1,2,4-triazol-1-yl)ethanone; (6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE |
| 17385 |  A1JKS |
2 | C17 H16 N6 O3 S2 | InChI=1S/C17H16N6O3S2/c18 -14-11-15(20-6-19-14)23(7 -21-11)16-13(25)12(24)9(2 6-16)5-27-17-22-8-3-1-2-4 -10(8)28-17/h1-4,6-7,9,12 -13,16,24-25H,5H2,(H2,18, 19,20)/t9-,12-,13-,16-/m1 /s1; RQLGHUUCYHQXKW-RVXWVPLUSA-N |
c1ccc2c(c1)nc(s2)SCC3C(C(C(O3)n4cnc5c4nc nc5N)O)O; c1ccc2c(c1)nc(s2)SC[C@@H]3[C@H ]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O; Nc 1ncnc2n(cnc12)[CH]3O[CH](CSc4sc5ccccc5n4 )[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O [C@H](CSc4sc5ccccc5n4)[C@@H](O)[C@H]3O |
(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-(1,3-benzothiazol-2-ylsulfanylmethyl)oxolane-3,4-diol |
| 17386 |  A1JKT |
4 | C29 H29 N3 O2 S | InChI=1S/C29H29N3O2S/c1-3 1(15-13-21-7-9-23(10-8-21 )22-5-3-2-4-6-22)29-30-27 (20-35-29)19-32-16-14-24- 11-12-25(28(33)34)17-26(2 4)18-32/h2-12,17,20H,13-1 6,18-19H2,1H3,(H,33,34); PZAXAHOHIQYROI-UHFFFAOYSA-N |
CN(CCc1ccc(cc1)c2ccccc2)c3nc(cs3)CN4CCc5 ccc(cc5C4)C(=O)O; CN(CCc1ccc(cc1)c2ccccc 2)c3scc(CN4CCc5ccc(cc5C4)C(O)=O)n3 |
2-[[2-[methyl-[2-(4-phenylphenyl)ethyl]amino]-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid |
| 17387 |  A1JKW CHEMBL225421 |
1 | C22 H26 O7 | InChI=1S/C22H26O7/c1-6-16 -11(4)18(24)15(22(28)29-1 6)9-14-19(25)13(8-7-10(2) 3)20(26)17(12(5)23)21(14) 27/h7,24-27H,6,8-9H2,1-5H 3; ZOIAPLVBZQQHCG-UHFFFAOYSA-N |
CCC1=C(C(=C(C(=O)O1)Cc2c(c(c(c(c2O)C(=O) C)O)CC=C(C)C)O)O)C; CCC1=C(C)C(=C(Cc2c(O )c(CC=C(C)C)c(O)c(C(C)=O)c2O)C(=O)O1)O |
3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one |
| 17388 |  A1JKZ |
1 | C23 H23 Br N4 O3 | InChI=1S/C23H23BrN4O3/c24 -20-4-3-15-6-9-28(10-7-17 (15)12-20)23-25-21(31-26- 23)14-27-8-5-16-1-2-18(22 (29)30)11-19(16)13-27/h1- 4,11-12H,5-10,13-14H2,(H, 29,30); LMIHZOOKIJYEAW-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)O)CN(CC2)Cc3nc(no3)N4CCc5 ccc(cc5CC4)Br; OC(=O)c1ccc2CCN(Cc3onc(n3 )N4CCc5ccc(Br)cc5CC4)Cc2c1 |
2-[[3-(7-bromanyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1~{H}-isoquinoline-7-carboxylic acid |
| 17389 |  A1JL1 CHEMBL116095 |
1 | C9 H9 N O3 | InChI=1S/C9H9NO3/c1-6(11) 10-8-4-2-3-7(5-8)9(12)13/ h2-5H,1H3,(H,10,11)(H,12, 13); RGDPZMQZWZMONQ-UHFFFAOYSA-N |
CC(=O)Nc1cccc(c1)C(=O)O; CC(=O)Nc1cccc(c 1)C(O)=O |
3-acetamidobenzoic acid |
| 17390 |  A1JL2 |
2 | C24 H28 F3 N3 O3 | InChI=1S/C24H28F3N3O3/c1- 3-22(31)30(18-11-13-19(14 -12-18)33-24(25,26)27)15( 2)16-7-9-17(10-8-16)29-23 (32)20-5-4-6-21(20)28/h7- 15,20-21H,3-6,28H2,1-2H3, (H,29,32)/t15-,20-,21-/m1 /s1; HEJXNOPCFGXXDM-IPHXSNPTSA-N |
CCC(=O)N(c1ccc(cc1)OC(F)(F)F)[C@H](C)c2c cc(cc2)NC(=O)[C@@H]3CCC[C@H]3N; CCC(=O)N ([CH](C)c1ccc(NC(=O)[CH]2CCC[CH]2N)cc1)c 3ccc(OC(F)(F)F)cc3; CCC(=O)N([C@H](C)c1c cc(NC(=O)[C@@H]2CCC[C@H]2N)cc1)c3ccc(OC( F)(F)F)cc3; CCC(=O)N(c1ccc(cc1)OC(F)(F)F )C(C)c2ccc(cc2)NC(=O)C3CCCC3N |
(1~{R},2~{R})-2-azanyl-~{N}-[4-[(1~{R})-1-[propanoyl-[4-(trifluoromethyloxy)phenyl]amino]ethyl]phenyl]cyclopentane-1-carboxamide |
| 17391 |  A1JL5 |
1 | C31 H31 F2 N5 O2 S | InChI=1S/C31H31F2N5O2S/c1 -31(2,3)20-5-7-23(8-6-20) 38-29(36-37-30(38)41-4)27 (13-18-11-21(32)15-22(33) 12-18)35-28(40)14-19-17-3 4-26-10-9-24(39)16-25(19) 26/h5-12,15-17,27,34,39H, 13-14H2,1-4H3,(H,35,40)/t 27-/m0/s1; VUHINFPHZUDBOZ-MHZLTWQESA-N |
CC(C)(C)c1ccc(cc1)n2c(nnc2SC)[C@H](Cc3cc (cc(c3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O; C C(C)(C)c1ccc(cc1)n2c(nnc2SC)C(Cc3cc(cc(c 3)F)F)NC(=O)Cc4c[nH]c5c4cc(cc5)O; CSc1nn c([CH](Cc2cc(F)cc(F)c2)NC(=O)Cc3c[nH]c4c cc(O)cc34)n1c5ccc(cc5)C(C)(C)C; CSc1nnc( [C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc3c[nH]c4cc c(O)cc34)n1c5ccc(cc5)C(C)(C)C |
(S)-N-(1-(5-((2-amino-2-oxoethyl)thio)-4-(4-(tert-Butyl)phenyl)-4H-1,2,4-triazol-3-yl)-2-(3,5-difluorophenyl)ethyl)-2-(5-hydroxy-1H-indol-3-yl)acetamide; ~{N}-[(1~{S})-2-[3,5-bis(fluoranyl)phenyl]-1-[4-(4-~{tert}-butylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-(5-oxidanyl-1~{H}-indol-3-yl)ethanamide |
| 17392 |  A1JL7 |
1 | C20 H24 N4 O2 | InChI=1S/C20H24N4O2/c25-1 9(26)10-11-21-20-22-16(14 -6-3-7-14)13-18(23-20)24- 12-4-8-15-5-1-2-9-17(15)2 4/h1-2,5,9,13-14H,3-4,6-8 ,10-12H2,(H,25,26)(H,21,2 2,23); PUOUMWUWJBCLCR-UHFFFAOYSA-N |
c1ccc2c(c1)CCCN2c3cc(nc(n3)NCCC(=O)O)C4C CC4; OC(=O)CCNc1nc(cc(n1)N2CCCc3ccccc23) C4CCC4 |
3-[[4-cyclobutyl-6-(3,4-dihydro-2~{H}-quinolin-1-yl)pyrimidin-2-yl]amino]propanoic acid |
| 17393 |  A1JL8 |
1 | C19 H21 F3 N4 O2 | InChI=1S/C19H21F3N4O2/c1- 18(2)8-10-26(13-6-4-3-5-1 2(13)18)15-11-14(19(20,21 )22)24-17(25-15)23-9-7-16 (27)28/h3-6,11H,7-10H2,1- 2H3,(H,27,28)(H,23,24,25); XCSAYKLWHFZVRD-UHFFFAOYSA-N |
CC1(CCN(c2c1cccc2)c3cc(nc(n3)NCCC(=O)O)C (F)(F)F)C; CC1(C)CCN(c2cc(nc(NCCC(O)=O)n 2)C(F)(F)F)c3ccccc13 |
3-[[4-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]amino]propanoic acid |
| 17394 |  A1JL9 |
1 | C71 H122 N2 O42 P2 | InChI=1S/C71H122N2O42P2/c 1-30(2)13-9-14-31(3)15-10 -16-32(4)17-11-18-33(5)19 -12-20-34(6)21-22-101-116 (96,97)115-117(98,99)114- 66-45(73-36(8)81)52(88)60 (42(28-79)107-66)109-65-4 4(72-35(7)80)51(87)61(41( 27-78)106-65)110-70-59(95 )63(112-71-64(55(91)48(84 )39(25-76)105-71)113-69-5 7(93)54(90)47(83)38(24-75 )104-69)50(86)43(108-70)2 9-100-67-58(94)62(49(85)4 0(26-77)102-67)111-68-56( 92)53(89)46(82)37(23-74)1 03-68/h13,15,17,19,34,37- 71,74-79,82-95H,9-12,14,1 6,18,20-29H2,1-8H3,(H,72, 80)(H,73,81)(H,96,97)(H,9 8,99)/b31-15+,32-17+,33-1 9-/t34-,37+,38+,39+,40+,4 1+,42+,43+,44+,45+,46+,47 +,48+,49+,50+,51+,52+,53- ,54-,55-,56-,57-,58-,59-, 60+,61+,62-,63-,64-,65-,6 6+,67-,68+,69+,70-,71+/m0 /s1; AAUUHFVFQDFOOK-SOWUKSPRSA-N |
CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO P(=O)(O)OP(=O)(O)OC1C(C(C(C(O1)CO)OC2C(C (C(C(O2)CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4) CO)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C (C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O) NC(=O)C)O)NC(=O)C; C[CH](CCO[P](O)(=O)O[ P](O)(=O)O[CH]1O[CH](CO)[CH](O[CH]2O[CH] (CO)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO)[CH ](O)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[C H]5O)[CH]4O)[CH](O)[CH](O[CH]6O[CH](CO)[ CH](O)[CH](O)[CH]6O[CH]7O[CH](CO)[CH](O) [CH](O)[CH]7O)[CH]3O)[CH](O)[CH]2NC(C)=O )[CH](O)[CH]1NC(C)=O)CCC=C(C)CCC=C(C)CCC =C(C)CCC=C(C)C; C[C@H](CCO[P](O)(=O)O[P] (O)(=O)O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O [C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O [C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO )[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@ H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@ H](O)[C@@H]6O[C@H]7O[C@H](CO)[C@@H](O)[C @H](O)[C@@H]7O)[C@@H]3O)[C@H](O)[C@H]2NC (C)=O)[C@H](O)[C@H]1NC(C)=O)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) CCOP(=O)(O)OP(=O)(O)O[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[C@H]3[C@H]([C@H]([C @@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H ]([C@H](O4)CO)O)O[C@@H]5[C@H]([C@H]([C@@ H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([ C@H]([C@@H]([C@H](O6)CO)O)O)O[C@@H]7[C@H ]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)NC( =O)C)O)NC(=O)C |
[(2~{R},3~{R},4~{R},5~{S},6~{R})-3-acetamido-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{S},4~{S},5~{R},6~{R})-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-[[(2~{S},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-4-oxidanyl-oxan-2-yl] [oxidanyl-[(3~{S},6~{Z},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate |
| 17395 |  A1JLA |
1 | C32 H38 N2 O6 S | InChI=1S/C32H38N2O6S/c1-7 -21-8-11-25(12-9-21)33-29 (37)40-19-32-18-34(17-24( 32)15-23-16-27(32)30(23,3 )4)41(38,39)26-13-10-22(1 4-20(26)2)31(5,6)28(35)36 /h1,8-14,23-24,27H,15-19H 2,2-6H3,(H,33,37)(H,35,36 )/t23-,24+,27+,32+/m0/s1; ZYKXPAJTMSTJLX-GXMIFEBGSA-N |
Cc1cc(ccc1S(=O)(=O)N2C[C@H]3C[C@H]4C[C@@ H]([C@]3(C2)COC(=O)Nc5ccc(cc5)C#C)C4(C)C )C(C)(C)C(=O)O; Cc1cc(ccc1[S](=O)(=O)N2C [C@H]3C[C@H]4C[C@H](C4(C)C)[C@@]3(COC(=O )Nc5ccc(cc5)C#C)C2)C(C)(C)C(O)=O; Cc1cc( ccc1[S](=O)(=O)N2C[CH]3C[CH]4C[CH](C4(C) C)[C]3(COC(=O)Nc5ccc(cc5)C#C)C2)C(C)(C)C (O)=O; Cc1cc(ccc1S(=O)(=O)N2CC3CC4CC(C4( C)C)C3(C2)COC(=O)Nc5ccc(cc5)C#C)C(C)(C)C (=O)O |
2-[4-[[(1~{R},2~{S},6~{S},8~{R})-2-[(4-ethynylphenyl)carbamoyloxymethyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]-3-methyl-phenyl]-2-methyl-propanoic acid |
| 17396 |  A1JLB |
1 | C32 H38 N2 O5 S | InChI=1S/C32H38N2O5S/c1-6 -21-7-11-25(12-8-21)33-28 (35)15-16-32-20-34(19-24( 32)17-23-18-27(32)30(23,2 )3)40(38,39)26-13-9-22(10 -14-26)31(4,5)29(36)37/h1 ,7-14,23-24,27H,15-20H2,2 -5H3,(H,33,35)(H,36,37)/t 23-,24+,27+,32-/m0/s1; LBJWBBFBJNACAW-JSUFTFRXSA-N |
CC1(C2CC3CN(CC3(C1C2)CCC(=O)Nc4ccc(cc4)C #C)S(=O)(=O)c5ccc(cc5)C(C)(C)C(=O)O)C; C C1([C@H]2C[C@@H]3CN(C[C@@]3([C@@H]1C2)CC C(=O)Nc4ccc(cc4)C#C)S(=O)(=O)c5ccc(cc5)C (C)(C)C(=O)O)C; CC1(C)[CH]2C[CH]3CN(C[C] 3(CCC(=O)Nc4ccc(cc4)C#C)[CH]1C2)[S](=O)( =O)c5ccc(cc5)C(C)(C)C(O)=O; CC1(C)[C@H]2 C[C@@H]3CN(C[C@]3(CCC(=O)Nc4ccc(cc4)C#C) [C@@H]1C2)[S](=O)(=O)c5ccc(cc5)C(C)(C)C( O)=O |
2-[4-[[(1~{R},2~{R},6~{S},8~{R})-2-[3-[(4-ethynylphenyl)amino]-3-oxidanylidene-propyl]-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-4-yl]sulfonyl]phenyl]-2-methyl-propanoic acid |
| 17397 |  A1JLD |
1 | C32 H40 N2 O4 S | InChI=1S/C32H40N2O4S/c1-8 -22-9-12-26(13-10-22)33-2 9(35)38-20-32-19-34(18-25 (32)16-24-17-28(32)31(24, 6)7)39(36,37)27-14-11-23( 15-21(27)2)30(3,4)5/h1,9- 15,24-25,28H,16-20H2,2-7H 3,(H,33,35)/t24-,25+,28+, 32+/m0/s1; SVVLXZSOWBLJBW-YUGNUMPCSA-N |
Cc1cc(ccc1[S](=O)(=O)N2C[C@H]3C[C@H]4C[C @H](C4(C)C)[C@@]3(COC(=O)Nc5ccc(cc5)C#C) C2)C(C)(C)C; Cc1cc(ccc1S(=O)(=O)N2CC3CC4 CC(C4(C)C)C3(C2)COC(=O)Nc5ccc(cc5)C#C)C( C)(C)C; Cc1cc(ccc1S(=O)(=O)N2C[C@H]3C[C@ H]4C[C@@H]([C@]3(C2)COC(=O)Nc5ccc(cc5)C# C)C4(C)C)C(C)(C)C; Cc1cc(ccc1[S](=O)(=O) N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(COC(=O)N c5ccc(cc5)C#C)C2)C(C)(C)C |
[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butyl-2-methyl-phenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate |
| 17398 |  A1JLE |
1 | C31 H38 N2 O4 S | InChI=1S/C31H38N2O4S/c1-7 -21-8-12-25(13-9-21)32-28 (34)37-20-31-19-33(18-24( 31)16-23-17-27(31)30(23,5 )6)38(35,36)26-14-10-22(1 1-15-26)29(2,3)4/h1,8-15, 23-24,27H,16-20H2,2-6H3,( H,32,34)/t23-,24+,27+,31+ /m0/s1; LPVXGYZMYNYSRZ-GGWKSQAJSA-N |
CC(C)(C)c1ccc(cc1)[S](=O)(=O)N2C[C@H]3C[ C@H]4C[C@H](C4(C)C)[C@@]3(COC(=O)Nc5ccc( cc5)C#C)C2; CC1(C2CC3CN(CC3(C1C2)COC(=O) Nc4ccc(cc4)C#C)S(=O)(=O)c5ccc(cc5)C(C)(C )C)C; CC1([C@H]2C[C@@H]3CN(C[C@@]3([C@@H ]1C2)COC(=O)Nc4ccc(cc4)C#C)S(=O)(=O)c5cc c(cc5)C(C)(C)C)C; CC(C)(C)c1ccc(cc1)[S]( =O)(=O)N2C[CH]3C[CH]4C[CH](C4(C)C)[C]3(C OC(=O)Nc5ccc(cc5)C#C)C2 |
[(1~{R},2~{S},6~{S},8~{R})-4-(4-~{tert}-butylphenyl)sulfonyl-9,9-dimethyl-4-azatricyclo[6.1.1.0^{2,6}]decan-2-yl]methyl ~{N}-(4-ethynylphenyl)carbamate |
| 17399 |  A1JLH |
2 | C22 H24 F N7 O3 S | InChI=1S/C22H24FN7O3S/c1- 13-20(34(32,33)30-7-6-18- 15(12-30)9-25-27-18)8-19( 28(13)2)22(31)24-11-16-17 (23)5-4-14-10-26-29(3)21( 14)16/h4-5,8-10H,6-7,11-1 2H2,1-3H3,(H,24,31)(H,25, 27); KGOKNBFOEPMZIS-UHFFFAOYSA-N |
Cc1c(cc(n1C)C(=O)NCc2c(ccc3c2n(nc3)C)F)S (=O)(=O)N4CCc5c(cn[nH]5)C4; Cn1ncc2ccc(F )c(CNC(=O)c3cc(c(C)n3C)[S](=O)(=O)N4CCc5 [nH]ncc5C4)c12 |
~{N}-[(6-fluoranyl-1-methyl-indazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide |
| 17400 |  A1JLK |
1 | C26 H25 Cl N6 O3 S | InChI=1S/C26H25ClN6O3S/c1 -16-9-17(2)30-26(29-16)37 -15-24(34)31-20-6-4-5-18( 10-20)14-36-21-7-8-23(22( 27)11-21)32-25(35)19-12-2 8-33(3)13-19/h4-13H,14-15 H2,1-3H3,(H,31,34)(H,32,3 5); QNZYMVMEVWRUCW-UHFFFAOYSA-N |
Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc 4nc(C)cc(C)n4)c3)cc2Cl; Cc1cc(nc(n1)SCC( =O)Nc2cccc(c2)COc3ccc(c(c3)Cl)NC(=O)c4cn n(c4)C)C |
~{N}-[2-chloranyl-4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide |