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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 30201 |  JVH CHEMBL4547673 |
1 | C23 H27 N3 O5 | InChI=1S/C23H27N3O5/c27-1 7-10-31-18-7-16(17)25-15- 4-1-11(5-14(15)18)8-24-19 (28)9-26-22(29)20-12-2-3- 13(6-12)21(20)23(26)30/h1 ,4-5,12-13,16-18,20-21,25 ,27H,2-3,6-10H2,(H,24,28) /t12-,13+,16-,17-,18-,20+ ,21-/m1/s1; BOGJVTQQRCPUBE-MZBUVPGESA-N |
c1cc2c(cc1CNC(=O)CN3C(=O)C4C5CCC(C5)C4C3 =O)C6CC(N2)C(CO6)O; O[C@@H]1CO[C@@H]2C[C @H]1Nc3ccc(CNC(=O)CN4C(=O)[C@@H]5[C@H]6C C[C@H](C6)[C@@H]5C4=O)cc23; c1cc2c(cc1CN C(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C @H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O; O[CH]1CO[CH]2C[CH]1Nc3ccc(CNC(=O)CN4C(=O )[CH]5[CH]6CC[CH](C6)[CH]5C4=O)cc23 |
2-(exo-3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-N-((1R,9R,10S)-10-hydroxy-12-oxa-8-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ylmethyl)-acetamide |
| 30202 |  JVI |
2 | C18 H21 N5 O2 | InChI=1S/C18H21N5O2/c1-3- 19-18-21-13-6-4-5-12(13)1 7(22-18)23-10-16(24)20-14 -9-11(25-2)7-8-15(14)23/h 7-9H,3-6,10H2,1-2H3,(H,20 ,24)(H,19,21,22); CQVSFRQJOZPSGM-UHFFFAOYSA-N |
CCNc1nc2CCCc2c(n1)N1CC(=O)Nc2cc(ccc21)OC ; CCNc1nc2CCCc2c(n1)N3CC(=O)Nc4cc(OC)ccc 34; CCNc1nc2c(c(n1)N3CC(=O)Nc4c3ccc(c4)O C)CCC2 |
4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| 30203 |  JVJ CHEMBL4850391 |
2 | C27 H28 N4 O2 | InChI=1S/C27H28N4O2/c28-1 5-19-1-3-22(4-2-19)26-27( 23-7-5-21(6-8-23)24-11-14 -32-18-24)31-25(16-30-26) 33-17-20-9-12-29-13-10-20 /h1-8,11,14,16,18,20,29H, 9-10,12-13,15,17,28H2; NRQBIXPRZQFYDO-UHFFFAOYSA-N |
NCc1ccc(cc1)c4c(c3ccc(c2ccoc2)cc3)nc(cn4 )OCC5CCNCC5; NCc1ccc(cc1)c2ncc(OCC3CCNCC 3)nc2c4ccc(cc4)c5cocc5; c1cc(ccc1CN)c2c( nc(cn2)OCC3CCNCC3)c4ccc(cc4)c5ccoc5 |
1-(4-{3-[4-(furan-3-yl)phenyl]-5-[(piperidin-4-yl)methoxy]pyrazin-2-yl}phenyl)methanamine |
| 30204 |  JVK CHEMBL4858184 |
2 | C13 H16 Cl N O3 S | InChI=1S/C13H16ClNO3S/c1- 8(2)12(13(17)18)15-11(16) 7-19-10-5-3-9(14)4-6-10/h 3-6,8,12H,7H2,1-2H3,(H,15 ,16)(H,17,18)/t12-/m0/s1; IKYARSKDJJAPDW-LBPRGKRZSA-N |
CC(C)[CH](NC(=O)CSc1ccc(Cl)cc1)C(O)=O; C C(C)C(C(=O)O)NC(=O)CSc1ccc(cc1)Cl; CC(C) [C@H](NC(=O)CSc1ccc(Cl)cc1)C(O)=O; CC(C) [C@@H](C(=O)O)NC(=O)CSc1ccc(cc1)Cl |
(2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid |
| 30205 |  JVL |
1 | C35 H48 N10 O5 | InChI=1S/C35H48N10O5/c36- 14-5-3-12-27-32(48)39-15- 6-4-13-28(45-35(37)38)33( 49)42-21-31(47)41-19-23-9 -7-8-22(16-23)17-30(46)43 -29(34(50)44-27)18-24-20- 40-26-11-2-1-10-25(24)26/ h1-2,7-11,16,20,27-29,40H ,3-6,12-15,17-19,21,36H2, (H,39,48)(H,41,47)(H,42,4 9)(H,43,46)(H,44,50)(H4,3 7,38,45)/t27-,28+,29-/m0/ s1; NAEFAWNAIOVILE-NHKHRBQYSA-N |
NCCCC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)N C(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCCCNC1= O)NC(N)=N)c4; NCCCC[C@@H]1NC(=O)[C@H](Cc 2c[nH]c3ccccc23)NC(=O)Cc4cccc(CNC(=O)CNC (=O)[C@@H](CCCCNC1=O)NC(N)=N)c4; c1ccc2c (c1)c(c[nH]2)CC3C(=O)NC(C(=O)NCCCCC(C(=O )NCC(=O)NCc4cccc(c4)CC(=O)N3)NC(=N)N)CCC CN; [H]/N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H] (NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CN C1=O)Cc3c[nH]c4c3cccc4)CCCCN |
1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(1H-indol-3-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
| 30206 |  JVM CHEMBL4862682 |
2 | C26 H28 N6 O | InChI=1S/C26H28N6O/c27-13 -18-1-3-21(4-2-18)25-26(2 2-7-5-20(6-8-22)23-14-30- 31-15-23)32-24(16-29-25)3 3-17-19-9-11-28-12-10-19/ h1-8,14-16,19,28H,9-13,17 ,27H2,(H,30,31); MYADMJMAENDCBG-UHFFFAOYSA-N |
NCc1ccc(cc1)c2ncc(OCC3CCNCC3)nc2c4ccc(cc 4)c5c[nH]nc5; c1cc(ccc1CN)c2c(nc(cn2)OCC 3CCNCC3)c4ccc(cc4)c5c[nH]nc5; NCc1ccc(cc 1)c2ncc(nc2c4ccc(c3cnnc3)cc4)OCC5CCNCC5 |
1-(4-{5-[(piperidin-4-yl)methoxy]-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl}phenyl)methanamine |
| 30207 |  JVN CHEMBL4578507 |
2 | C11 H12 F N O2 | InChI=1S/C11H12FNO2/c12-6 -1-2-8-7(3-6)11-4-9(13-8) 10(14)5-15-11/h1-3,9-11,1 3-14H,4-5H2/t9-,10-,11-/m 1/s1; HXIPGZKTJOAKDT-GMTAPVOTSA-N |
O[C@@H]1CO[C@@H]2C[C@H]1Nc3ccc(F)cc23; O [CH]1CO[CH]2C[CH]1Nc3ccc(F)cc23; c1cc2c( cc1F)C3CC(N2)C(CO3)O; c1cc2c(cc1F)[C@H]3 C[C@@H](N2)[C@@H](CO3)O |
(1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol |
| 30208 |  JVO |
1 | C21 H23 Cl N4 O2 | InChI=1S/C21H23ClN4O2/c1- 14(2)26-20-11-16(22)5-8-1 9(20)25-21(26)24-12-17(27 )13-28-18-6-3-15(4-7-18)9 -10-23/h3-8,11,14,17,27H, 9,12-13H2,1-2H3,(H,24,25) /t17-/m0/s1; SYDWHCIVWIRKCC-KRWDZBQOSA-N |
CC(C)n1c2cc(ccc2nc1NCC(COc3ccc(cc3)CC#N) O)Cl; CC(C)n1c2cc(ccc2nc1NC[C@@H](COc3cc c(cc3)CC#N)O)Cl; CC(C)n1c(NC[CH](O)COc2c cc(CC#N)cc2)nc3ccc(Cl)cc13; CC(C)n1c(NC[ C@H](O)COc2ccc(CC#N)cc2)nc3ccc(Cl)cc13 |
2-[4-[(2~{S})-3-[(6-chloranyl-1-propan-2-yl-benzimidazol-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanenitrile |
| 30209 |  JVP CHEMBL4560385 |
1 | C22 H20 F2 N6 O2 | InChI=1S/C22H20F2N6O2/c23 -14-5-8-18(17(24)10-14)32 -16-6-3-13(4-7-16)20-19(2 2(27)31)21(26)30(28-20)15 -2-1-9-29(11-15)12-25/h3- 8,10,15H,1-2,9,11,26H2,(H 2,27,31)/t15-/m1/s1; SQFDBQCBXUWICP-OAHLLOKOSA-N |
c1cc(ccc1c2c(c(n(n2)C3CCCN(C3)C#N)N)C(=O )N)Oc4ccc(cc4F)F; c3cc(c1nn(c(c1C(=O)N)N )C2CCCN(C#N)C2)ccc3Oc4ccc(cc4F)F; c1cc(c cc1c2c(c(n(n2)[C@@H]3CCCN(C3)C#N)N)C(=O) N)Oc4ccc(cc4F)F; NC(=O)c1c(N)n(nc1c2ccc( Oc3ccc(F)cc3F)cc2)[CH]4CCCN(C4)C#N; NC(= O)c1c(N)n(nc1c2ccc(Oc3ccc(F)cc3F)cc2)[C@ @H]4CCCN(C4)C#N |
5-amino-1-[(3R)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]-1H-pyrazole-4-carboxamide |
| 30210 |  JVQ CHEMBL3438117 ZINC000299851959 |
2 | C13 H16 N2 O3 | InChI=1S/C13H16N2O3/c1-2- 15-7-9-5-11-12(18-8-17-11 )6-10(9)14-4-3-13(15)16/h 5-6,14H,2-4,7-8H2,1H3; LCKKANZPYFOBHG-UHFFFAOYSA-N |
CCN1Cc2cc3c(cc2NCCC1=O)OCO3; CCN1Cc2cc3O COc3cc2NCCC1=O |
14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one |
| 30211 |  JVR |
2 | C19 H21 N5 O2 | InChI=1S/C19H21N5O2/c1-26 -12-7-8-16-15(9-12)21-17( 25)10-24(16)18-13-3-2-4-1 4(13)22-19(23-18)20-11-5- 6-11/h7-9,11H,2-6,10H2,1H 3,(H,21,25)(H,20,22,23); PQVFTRMKRDTVIW-UHFFFAOYSA-N |
COc1ccc2c(NC(=O)CN2c2nc(NC3CC3)nc3CCCc32 )c1; COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N C5CC5)CCC4; COc1ccc2N(CC(=O)Nc2c1)c3nc(N C4CC4)nc5CCCc35 |
4-[2-(cyclopropylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one |
| 30212 |  JVS |
1 | C7 H14 F O9 P | InChI=1S/C7H14FO9P/c8-2-7 (17-18(13,14)15)6(12)5(11 )4(10)3(1-9)16-7/h3-6,9-1 2H,1-2H2,(H2,13,14,15)/t3 -,4-,5+,6-,7-/m1/s1; QZQSCDCQGPJKOV-XUUWZHRGSA-N |
C(C1C(C(C(C(O1)(CF)OP(=O)(O)O)O)O)O)O; O C[CH]1O[C](CF)(O[P](O)(O)=O)[CH](O)[CH]( O)[CH]1O; OC[C@H]1O[C@](CF)(O[P](O)(O)=O )[C@H](O)[C@@H](O)[C@@H]1O; C1(C(C(CF)(O C(C1O)CO)OP(O)(=O)O)O)O; C([C@@H]1[C@H]( [C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O )O)O |
1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose; 1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose; 1-deoxy-1-fluoro-2-O-phosphono-D-gluco-hept-2-ulose; 1-deoxy-1-fluoro-2-O-phosphono-gluco-hept-2-ulose |
| 30213 |  JVT |
2 | C19 H21 N5 O | InChI=1S/C19H21N5O/c1-23- 10-12-24(13-11-23)15-8-6- 14(7-9-15)20-19(25)18-16- 4-2-3-5-17(16)21-22-18/h2 -9H,10-13H2,1H3,(H,20,25) (H,21,22); NZDNAXLFPOOOJE-UHFFFAOYSA-N |
O=C(c2nnc1ccccc12)Nc4ccc(N3CCN(C)CC3)cc4 ; CN1CCN(CC1)c2ccc(cc2)NC(=O)c3c4ccccc4[ nH]n3; CN1CCN(CC1)c2ccc(NC(=O)c3n[nH]c4c cccc34)cc2 |
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide |
| 30214 |  JVU |
1 | C44 H61 N9 O5 | InChI=1S/C44H61N9O5/c45-2 1-8-6-17-35-40(55)48-22-9 -7-18-36(53-44(46)47)42(5 7)52-37(25-29-11-2-1-3-12 -29)41(56)49-28-32-14-10- 13-30(23-32)27-39(54)50-3 8(43(58)51-35)26-31-19-20 -33-15-4-5-16-34(33)24-31 /h4-5,10,13-16,19-20,23-2 4,29,35-38H,1-3,6-9,11-12 ,17-18,21-22,25-28,45H2,( H,48,55)(H,49,56)(H,50,54 )(H,51,58)(H,52,57)(H4,46 ,47,53)/t35-,36+,37+,38-/ m0/s1; PWOFAKYENGEQKJ-LQDUMDOSSA-N |
c1ccc2cc(ccc2c1)CC3C(=O)NC(C(=O)NCCCCC(C (=O)NC(C(=O)NCc4cccc(c4)CC(=O)N3)CC5CCCC C5)NC(=N)N)CCCCN; [H]/N=C(/N)\N[C@@H]1CC CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc c(c2)CNC(=O)[C@H](NC1=O)CC3CCCCC3)Cc4ccc 5ccccc5c4)CCCCN; NCCCC[C@@H]1NC(=O)[C@H] (Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)[C @@H](CC5CCCCC5)NC(=O)[C@@H](CCCCNC1=O)NC (N)=N)c4; NCCCC[CH]1NC(=O)[CH](Cc2ccc3cc ccc3c2)NC(=O)Cc4cccc(CNC(=O)[CH](CC5CCCC C5)NC(=O)[CH](CCCCNC1=O)NC(N)=N)c4 |
1-[(5R,8R,15S,18S)-15-(4-azanylbutyl)-5-(cyclohexylmethyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
| 30215 |  JVX |
2 | C23 H30 Cl N3 O2 | InChI=1S/C23H30ClN3O2/c1- 22(2,3)17-9-11-18(12-10-1 7)27(19(28)14-24)20(16-8- 7-13-25-15-16)21(29)26-23 (4,5)6/h7-13,15,20H,14H2, 1-6H3,(H,26,29)/t20-/m1/s 1; RTMPWBZHQAQVCW-HXUWFJFHSA-N |
CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(c1cccnc1) C(=O)NC(C)(C)C; CC(C)(C)NC(=O)[C@H](N(C( =O)CCl)c1ccc(cc1)C(C)(C)C)c2cccnc2; CC(C )(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C) C)C(=O)CCl; CC(C)(C)c1ccc(cc1)N([C@H](c2 cccnc2)C(=O)NC(C)(C)C)C(=O)CCl; CC(C)(C) NC(=O)[CH](N(C(=O)CCl)c1ccc(cc1)C(C)(C)C )c2cccnc2 |
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-2-chloroacetamide |
| 30216 |  JVY CHEMBL4567623 |
3 | C19 H21 N3 O3 S | InChI=1S/C19H21N3O3S/c1-1 2-19(13(2)25-21-12)14-10- 17-16(8-5-9-20-17)18(11-1 4)26(23,24)22-15-6-3-4-7- 15/h5,8-11,15,22H,3-4,6-7 H2,1-2H3; XPVKQQFUIYGRLM-UHFFFAOYSA-N |
Cc1onc(C)c1c2cc3ncccc3c(c2)[S](=O)(=O)NC 4CCCC4; Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S (=O)(=O)NC4CCCC4; c21ncccc1c(cc(c2)c3c(C )onc3C)S(NC4CCCC4)(=O)=O |
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide |
| 30217 |  JVZ ZINC000037867298 |
1 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c22-1 6(11-21-13-20-18-6-1-2-7- 19(18)21)12-23-17-9-8-14- 4-3-5-15(14)10-17/h1-2,6- 10,13,16,22H,3-5,11-12H2/ t16-/m0/s1; OZCCXUVVMPVMIB-INIZCTEOSA-N |
c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4 )O; O[CH](COc1ccc2CCCc2c1)Cn3cnc4ccccc34 ; O[C@H](COc1ccc2CCCc2c1)Cn3cnc4ccccc34; c1ccc2c(c1)ncn2CC(COc3ccc4c(c3)CCC4)O |
(2~{S})-1-(benzimidazol-1-yl)-3-(2,3-dihydro-1~{H}-inden-5-yloxy)propan-2-ol |
| 30218 |  JW0 |
2 | C24 H41 O7 P | InChI=1S/C24H41O7P/c1-14( 4-9-22(26)27)18-7-8-19-17 -6-5-15-12-16(31-32(28,29 )30)10-11-23(15,2)20(17)1 3-21(25)24(18,19)3/h14-21 ,25H,4-13H2,1-3H3,(H,26,2 7)(H2,28,29,30)/t14-,15-, 16-,17+,18-,19+,20+,21+,2 3+,24-/m1/s1; RDWXGGGYXLRLFX-LLQZFEROSA-N |
CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C 4)OP(=O)(O)O)C)O)C; C[CH](CCC(O)=O)[CH]1 CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C [CH](O)[C]12C)O[P](O)(O)=O; C[C@H](CCC(O )=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H ](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)O[P]( O)(O)=O; C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2 [C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3 (CC[C@H](C4)OP(=O)(O)O)C)O)C |
(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 30219 |  JW1 ZINC000169744157 |
1 | C11 H16 B N O4 | InChI=1S/C11H16BNO4/c1-11 (2,3)17-10(14)13-9-6-4-5- 8(7-9)12(15)16/h4-7,15-16 H,1-3H3,(H,13,14); CWLNHPXWZRALFS-UHFFFAOYSA-N |
CC(C)(C)OC(=O)Nc1cccc(c1)B(O)O; c1ccc(B( O)O)cc1NC(=O)OC(C)(C)C; B(c1cccc(c1)NC(= O)OC(C)(C)C)(O)O |
{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid |
| 30220 |  JW2 CHEMBL4466526 ZINC000004959855 |
1 | C13 H17 N3 O2 | InChI=1S/C13H17N3O2/c17-1 2(13(18)16-10-5-1-2-6-10) 15-9-11-7-3-4-8-14-11/h3- 4,7-8,10H,1-2,5-6,9H2,(H, 15,17)(H,16,18); UNZKMRJPKZCKQO-UHFFFAOYSA-N |
c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2; O=C(NCc1 ccccn1)C(=O)NC2CCCC2 |
~{N}'-cyclopentyl-~{N}-(pyridin-2-ylmethyl)ethanediamide |
| 30221 |  JW3 ZINC000169745654 |
1 | C12 H12 B N O4 | InChI=1S/C12H12BNO4/c15-1 2(14-8-11-5-2-6-18-11)9-3 -1-4-10(7-9)13(16)17/h1-7 ,16-17H,8H2,(H,14,15); BYRIHRGFMYXTLC-UHFFFAOYSA-N |
O=C(c1cc(B(O)O)ccc1)NCc2occc2; OB(O)c1cc cc(c1)C(=O)NCc2occc2; B(c1cccc(c1)C(=O)N Cc2ccco2)(O)O |
(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid |
| 30222 |  JW4 CHEMBL3926851 |
1 | C25 H22 N4 O | InChI=1S/C25H22N4O/c1-13- 6-9-20-18(5-4-10-26-20)22 (13)19-11-17(23-14(2)29-3 0-15(23)3)12-21-24(19)28- 25(27-21)16-7-8-16/h4-6,9 -12,16H,7-8H2,1-3H3,(H,27 ,28); KHQQNXFBTALTQF-UHFFFAOYSA-N |
Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c( noc6C)C)cccn2; Cc1onc(C)c1c2cc3[nH]c(nc3 c(c2)c4c(C)ccc5ncccc45)C6CC6; c3(cc2nc(C 1CC1)nc2c(c3)c5c4cccnc4ccc5C)c6c(C)noc6C |
4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole |
| 30223 |  JW5 ZINC000058649740 |
1 | C10 H15 N2 O10 P | InChI=1S/C10H15N2O10P/c13 -2-4-1-6(14)11-10(17)12(4 )9-8(16)7(15)5(22-9)3-21- 23(18,19)20/h1,5,7-9,13,1 5-16H,2-3H2,(H,11,14,17)( H2,18,19,20)/t5-,7-,8-,9- /m1/s1; MSQUFEPNTQRBDI-ZOQUXTDFSA-N |
O=C1NC(=O)N(C(=C1)CO)C2OC(C(O)C2O)COP(=O )(O)O; C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP( =O)(O)O)O)O)CO; C1=C(N(C(=O)NC1=O)[C@H]2 [C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C O; OCC1=CC(=O)NC(=O)N1[C@@H]2O[C@H](CO[P ](O)(O)=O)[C@@H](O)[C@H]2O; OCC1=CC(=O)N C(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[ CH]2O |
6-(HYDROXYMETHYL)URIDINE 5'-(DIHYDROGEN PHOSPHATE) |
| 30224 |  JW6 |
1 | C33 H48 N10 O6 | InChI=1S/C33H48N10O6/c34- 12-3-1-8-24-30(47)38-13-4 -2-9-25(43-33(36)37)31(48 )40-19-29(46)39-18-22-7-5 -6-20(14-22)17-28(45)41-2 6(32(49)42-24)16-21-10-11 -27(44)23(35)15-21/h5-7,1 0-11,14-15,24-26,44H,1-4, 8-9,12-13,16-19,34-35H2,( H,38,47)(H,39,46)(H,40,48 )(H,41,45)(H,42,49)(H4,36 ,37,43)/t24-,25+,26-/m0/s 1; RKZWERWMSWLYFI-NXCFDTQHSA-N |
NCCCC[C@@H]1NC(=O)[C@H](Cc2ccc(O)c(N)c2) NC(=O)Cc3cccc(CNC(=O)CNC(=O)[C@@H](CCCCN C1=O)NC(N)=N)c3; NCCCC[CH]1NC(=O)[CH](Cc 2ccc(O)c(N)c2)NC(=O)Cc3cccc(CNC(=O)CNC(= O)[CH](CCCCNC1=O)NC(N)=N)c3; c1cc2cc(c1) CNC(=O)CNC(=O)C(CCCCNC(=O)C(NC(=O)C(NC(= O)C2)Cc3ccc(c(c3)N)O)CCCCN)NC(=N)N; [H]/ N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[ C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)Cc3 ccc(c(c3)N)O)CCCCN |
1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-[(3-azanyl-4-oxidanyl-phenyl)methyl]-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
| 30225 |  JW7 CHEMBL3110303 ZINC000095920871 |
3 | C18 H20 N6 O | InChI=1S/C18H20N6O/c25-16 -11-15(21-13-7-3-1-4-8-13 )17(18-19-12-20-22-18)23- 24(16)14-9-5-2-6-10-14/h2 ,5-6,9-13,21H,1,3-4,7-8H2 ,(H,19,20,22); CRZJAUQQVQGZNE-UHFFFAOYSA-N |
c1ccc(cc1)N2C(=O)C=C(C(=N2)c3[nH]cnn3)NC 4CCCCC4; O=C1C=C(NC2CCCCC2)C(=NN1c3ccccc 3)c4[nH]cnn4; O=C2C=C(C(=NN2c1ccccc1)c3n ncn3)NC4CCCCC4 |
5-(cyclohexylamino)-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone |
| 30226 |  JW8 ZINC000169745098 |
2 | C9 H12 B N O4 S | InChI=1S/C9H12BNO4S/c12-1 0(13)8-2-4-9(5-3-8)16(14, 15)11-6-1-7-11/h2-5,12-13 H,1,6-7H2; IOGLONDWRZETTA-UHFFFAOYSA-N |
B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O; OB(O)c 1ccc(cc1)[S](=O)(=O)N2CCC2; c1(ccc(B(O)O )cc1)S(=O)(N2CCC2)=O |
{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid |
| 30227 |  JW9 CHEMBL5173886 |
3 | C20 H21 N O | InChI=1S/C20H21NO/c1-15(2 1(2)14-16-10-12-18(22)13- 11-16)19-9-5-7-17-6-3-4-8 -20(17)19/h3-13,15,22H,14 H2,1-2H3/t15-/m1/s1; QFTKMDZKABQMHI-OAHLLOKOSA-N |
C[C@H](c1cccc2c1cccc2)N(C)Cc3ccc(cc3)O; C[CH](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23; O c1ccc(CN(C)C(C)c2cccc3ccccc32)cc1; C[C@@ H](N(C)Cc1ccc(O)cc1)c2cccc3ccccc23; CC(c 1cccc2c1cccc2)N(C)Cc3ccc(cc3)O |
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol |
| 30228 |  JWA CHEMBL4569631 |
3 | C19 H25 N3 O4 S | InChI=1S/C19H25N3O4S/c1-1 2-8-9-15(19-13(2)21-26-17 (19)11-20-14(3)23)10-18(1 2)27(24,25)22-16-6-4-5-7- 16/h8-10,16,22H,4-7,11H2, 1-3H3,(H,20,23); WUVRAMLGTYQHNJ-UHFFFAOYSA-N |
Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC( =O)C)C; CC(=O)NCc1onc(C)c1c2ccc(C)c(c2)[ S](=O)(=O)NC3CCCC3; c1c(c(ccc1c2c(noc2CN C(=O)C)C)C)S(=O)(=O)NC3CCCC3 |
N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide |
| 30229 |  JWB CHEMBL4584014 ZINC000002573368 |
1 | C11 H13 N O4 | InChI=1S/C11H13NO4/c13-7( 14)4-12-10(15)8-5-1-2-6(3 -5)9(8)11(12)16/h5-6,8-9H ,1-4H2,(H,13,14)/t5-,6+,8 -,9+; VYOORNQXSKWLPQ-RNMOGIQJSA-N |
OC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@ H]2C1=O; C1CC2CC1C3C2C(=O)N(C3=O)CC(=O)O ; OC(=O)CN1C(=O)[CH]2[CH]3CC[CH](C3)[CH] 2C1=O; C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(= O)N(C3=O)CC(=O)O |
2-[(1~{R},2~{R},6~{S},7~{S})-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]decan-4-yl]ethanoic acid |
| 30230 |  JWC |
4 | C18 H19 N7 O2 | InChI=1S/C18H19N7O2/c1-27 -18-15(22-13(10-21-18)11- 4-5-11)17(26)20-8-6-14-23 -16(25-24-14)12-3-2-7-19- 9-12/h2-3,7,9-11H,4-6,8H2 ,1H3,(H,20,26)(H,23,24,25 ); HRLMKMIYCGADFK-UHFFFAOYSA-N |
COc1ncc(nc1C(=O)NCCc1nc(n[NH]1)c1cnccc1) C1CC1; COc1ncc(nc1C(=O)NCCc2[nH]nc(n2)c3 cccnc3)C4CC4; COc1c(nc(cn1)C2CC2)C(=O)NC Cc3[nH]nc(n3)c4cccnc4 |
6-cyclopropyl-3-methoxy-N-{2-[3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethyl}pyrazine-2-carboxamide |
| 30231 |  JWD CHEMBL4514160 |
4 | C19 H17 N3 O2 | InChI=1S/C19H17N3O2/c1-10 -18(12(3)23-21-10)14-8-16 (19-11(2)22-24-13(19)4)15 -6-5-7-20-17(15)9-14/h5-9 H,1-4H3; FMFYPUWWJKSKRP-UHFFFAOYSA-N |
Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C; Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C ; c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C )C |
5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline |
| 30232 |  JWE CHEMBL4471729 |
1 | C13 H8 Br F N4 | InChI=1S/C13H8BrFN4/c14-9 -6-18-13(16)12-8(9)1-2-10 (19-12)7-3-4-17-11(15)5-7 /h1-6H,(H2,16,18); KARJFNUGCLEZKM-UHFFFAOYSA-N |
c1cc(nc2c1c(cnc2N)Br)c3ccnc(c3)F; Nc1ncc (Br)c2ccc(nc12)c3ccnc(F)c3 |
5-bromanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-8-amine |
| 30233 |  JWF CHEMBL3139285 ZINC000095921397 |
2 | C23 H23 Cl N8 O | InChI=1S/C23H23ClN8O/c1-3 0-10-12-31(13-11-30)18-8- 4-17(5-9-18)27-20-14-21(3 3)32(19-6-2-16(24)3-7-19) 29-22(20)23-25-15-26-28-2 3/h2-9,14-15,27H,10-13H2, 1H3,(H,25,26,28); QFOJWYRWOUEPJP-UHFFFAOYSA-N |
Clc5ccc(N4N=C(c1ncnn1)C(Nc3ccc(N2CCN(C)C C2)cc3)=CC4=O)cc5; CN1CCN(CC1)c2ccc(cc2) NC3=CC(=O)N(N=C3c4[nH]ncn4)c5ccc(cc5)Cl; CN1CCN(CC1)c2ccc(NC3=CC(=O)N(N=C3c4[nH] ncn4)c5ccc(Cl)cc5)cc2 |
5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone |
| 30234 |  JWG ZINC000037792768 |
1 | C7 H11 N O5 | InChI=1S/C7H11NO5/c9-5(1- 2-6(10)11)8-4-3-7(12)13/h 1-4H2,(H,8,9)(H,10,11)(H, 12,13); NFQWOKKYYQQDCQ-UHFFFAOYSA-N |
OC(=O)CCNC(=O)CCC(O)=O; C(CC(=O)O)C(=O)N CCC(=O)O |
4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid |
| 30235 |  JWH ZINC000003157900 |
1 | C15 H21 N O3 | InChI=1S/C15H21NO3/c1-2-3 -4-5-6-11-14(17)16-13-10- 8-7-9-12(13)15(18)19/h7-1 0H,2-6,11H2,1H3,(H,16,17) (H,18,19); DIBJPKPIMHBNDD-UHFFFAOYSA-N |
CCCCCCCC(=O)Nc1ccccc1C(=O)O; CCCCCCCC(=O )Nc1ccccc1C(O)=O |
2-(octanoylamino)benzoic acid |
| 30236 |  JWI |
1 | C26 H35 N3 O3 | InChI=1S/C26H35N3O3/c1-26 (2,3)20-11-13-22(14-12-20 )29(23(31)15-17-30)24(19- 8-7-16-27-18-19)25(32)28- 21-9-5-4-6-10-21/h7-8,11- 14,16,18,21,24,30H,4-6,9- 10,15,17H2,1-3H3,(H,28,32 )/t24-/m1/s1; JJHAFSMKINYTFD-XMMPIXPASA-N |
CC(C)(C)c1ccc(cc1)N([C@@H](C(=O)NC2CCCCC 2)c3cccnc3)C(=O)CCO; CC(C)(C)c1ccc(cc1)N ([C@H](c2cccnc2)C(=O)NC3CCCCC3)C(=O)CCO; CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2 )c3cccnc3)C(=O)CCO; CC(C)(C)c1ccc(cc1)N( C(=O)CCO)C(c1cccnc1)C(=O)NC1CCCCC1; CC(C )(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC3CCCCC 3)C(=O)CCO |
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-3-hydroxypropanamide |
| 30237 |  JWJ |
4 | C19 H20 N4 O2 S2 | InChI=1S/C19H20N4O2S2/c1- 10(2)25-17-11(3)7-20-15(1 2(17)4)8-27(24)19-22-13-5 -6-14-18(16(13)23-19)26-9 -21-14/h5-7,9-10H,8H2,1-4 H3,(H,22,23)/t27-/m1/s1; IEJGBUCGEJTHJK-HHHXNRCGSA-N |
CC(C)Oc1c(C)cnc(C[S](=O)c2[nH]c3c(ccc4nc sc34)n2)c1C; CC(C)Oc1c(C)cnc(C[S@@](=O)c 2[nH]c3c(ccc4ncsc34)n2)c1C; Cc1cnc(c(c1O C(C)C)C)CS(=O)c2[nH]c3c(n2)ccc4c3scn4; C C(C)Oc1c(C)c(ncc1C)CS(=O)c1nc2ccc3ncsc3c 2[NH]1 |
7-[(3,5-dimethyl-4-propan-2-yloxy-pyridin-2-yl)methyl-oxidanyl-$l^{3}-sulfanyl]-8~{H}-imidazo[4,5-g][1,3]benzothiazole |
| 30238 |  JWK CHEMBL4527085 |
1 | C16 H15 F N4 O | InChI=1S/C16H15FN4O/c1-16 (2,22)11-8-20-15(18)14-10 (11)3-4-12(21-14)9-5-6-19 -13(17)7-9/h3-8,22H,1-2H3 ,(H2,18,20); XVUSMHCLFMFBQR-UHFFFAOYSA-N |
CC(C)(c1cnc(c2c1ccc(n2)c3ccnc(c3)F)N)O; CC(C)(O)c1cnc(N)c2nc(ccc12)c3ccnc(F)c3 |
2-[8-azanyl-2-(2-fluoranylpyridin-4-yl)-1,7-naphthyridin-5-yl]propan-2-ol |
| 30239 |  JWL |
1 | C19 H27 N5 O4 | InChI=1S/C19H27N5O4/c1-14 (26)17(13-25)23-19(28)16( 12-15-8-4-2-5-9-15)22-18( 27)10-6-3-7-11-21-24-20/h 2,4-5,8-9,13-14,16-17,26H ,3,6-7,10-12H2,1H3,(H,22, 27)(H,23,28)/t14-,16-,17- /m1/s1; JYMVTDPABCQINZ-DJIMGWMZSA-N |
C[C@H]([C@@H](C=O)NC(=O)[C@@H](Cc1ccccc1 )NC(=O)CCCCCN=[N+]=[N-])O; C[CH](O)[CH]( NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[ N-])C=O; CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(= O)CCCCCN=[N+]=[N-])O; C[C@@H](O)[C@H](NC (=O)[C@@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[ N-])C=O |
6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide; Beta-lactone antibacterial agent (open form) |
| 30240 |  JWM |
1 | C19 H22 N2 O6 S | InChI=1S/C19H22N2O6S/c1-1 9(2,28(3,26)27)16(18(24)2 1-25)20-17(23)15-11-9-14( 10-12-15)8-6-4-5-7-13-22/ h9-12,16,22,25H,7,13H2,1- 3H3,(H,20,23)(H,21,24)/t1 6-/m1/s1; RFKFCSZMHYSIDP-MRXNPFEDSA-N |
CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#C C#CCCO)S(=O)(=O)C; CC(C)([CH](NC(=O)c1cc c(cc1)C#CC#CCCO)C(=O)NO)[S](C)(=O)=O; CC (C)([C@H](NC(=O)c1ccc(cc1)C#CC#CCCO)C(=O )NO)[S](C)(=O)=O; CC(C)(C(C(=O)NO)NC(=O) c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C; N(C(C(=O )NO)C(C)(C)S(C)(=O)=O)C(c1ccc(C#CC#CCCO) cc1)=O |
N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide |
| 30241 |  JWN CHEMBL4531334 |
3 | C28 H30 N6 O2 | InChI=1S/C28H30N6O2/c1-28 (2,27(36)33-16-14-32(3)15 -17-33)23-7-4-21(5-8-23)2 6(35)31-24-19-34-18-22(6- 9-25(34)30-24)20-10-12-29 -13-11-20/h4-13,18-19H,14 -17H2,1-3H3,(H,31,35); IEFFSHLHNYVSEF-UHFFFAOYSA-N |
CC(C)(c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c cncc4)C(=O)N5CCN(CC5)C; CN1CCN(CC1)C(=O) C(C)(C)c2ccc(cc2)C(=O)Nc3cn4cc(ccc4n3)c5 ccncc5 |
4-[2-methyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-~{N}-(6-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)benzamide |
| 30242 |  JWO |
1 | C27 H37 N3 O3 | InChI=1S/C27H37N3O3/c1-26 (2,3)20-13-15-22(16-14-20 )30(25(32)27(4,5)33)23(19 -10-9-17-28-18-19)24(31)2 9-21-11-7-6-8-12-21/h9-10 ,13-18,21,23,33H,6-8,11-1 2H2,1-5H3,(H,29,31)/t23-/ m1/s1; MEDOTIMNIRNAQI-HSZRJFAPSA-N |
CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2) c3cccnc3)C(=O)C(C)(C)O; CC(C)(C)c1ccc(cc 1)N(C(=O)C(C)(C)O)C(c1cccnc1)C(=O)NC1CCC CC1; CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O )NC3CCCCC3)C(=O)C(C)(C)O; CC(C)(C)c1ccc( cc1)N([C@@H](C(=O)NC2CCCCC2)c3cccnc3)C(= O)C(C)(C)O; CC(C)(C)c1ccc(cc1)N([C@H](c2 cccnc2)C(=O)NC3CCCCC3)C(=O)C(C)(C)O |
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-2-hydroxy-2-methylpropanamide |
| 30243 |  JWP |
1 | C22 H26 N2 O7 S | InChI=1S/C22H26N2O7S/c1-2 2(2,32(29,30)15-17-13-31- 14-17)19(21(27)24-28)23-2 0(26)18-10-8-16(9-11-18)7 -5-3-4-6-12-25/h8-11,17,1 9,25,28H,6,12-15H2,1-2H3, (H,23,26)(H,24,27)/t19-/m 0/s1; HUQFNHQVVJRSBA-IBGZPJMESA-N |
CC(C)([C@@H](NC(=O)c1ccc(cc1)C#CC#CCCO)C (=O)NO)[S](=O)(=O)CC2COC2; CC(C)([CH](NC (=O)c1ccc(cc1)C#CC#CCCO)C(=O)NO)[S](=O)( =O)CC2COC2; C(S(C(C)(C(C(=O)NO)NC(c1ccc( C#CC#CCCO)cc1)=O)C)(=O)=O)C2COC2; CC(C)( C(C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O )(=O)CC2COC2; CC(C)([C@@H](C(=O)NO)NC(=O )c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2 |
N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide |
| 30244 |  JWQ CHEMBL4792639 |
1 | C14 H9 F3 N4 O3 S | InChI=1S/C14H9F3N4O3S/c1- 24-10-5-7(2-3-9(10)22)4-8 (6-18)11(23)19-13-21-20-1 2(25-13)14(15,16)17/h2-5, 22H,1H3,(H,19,21,23)/b8-4 +; OVZPTQXGZKJHGH-XBXARRHUSA-N |
COc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2sc(nn2)C( F)(F)F; COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2 nnc(s2)C(F)(F)F; COc1cc(ccc1O)C=C(C#N)C( =O)Nc2nnc(s2)C(F)(F)F; COc1cc(ccc1O)C=C( C#N)C(=O)Nc2sc(nn2)C(F)(F)F |
(~{E})-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)-~{N}-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide |
| 30245 |  JWR |
4 | C18 H11 Cl2 N5 O | InChI=1S/C18H11Cl2N5O/c19 -15-13(6-8-21-16(15)20)18 (26)22-12-7-9-25-14(10-12 )23-17(24-25)11-4-2-1-3-5 -11/h1-10H,(H,22,26); ZOMFEZZBRUREBY-UHFFFAOYSA-N |
Clc1nccc(c1Cl)C(=O)Nc1ccn2nc(nc2c1)c1ccc cc1; c1ccc(cc1)c2nc3cc(ccn3n2)NC(=O)c4cc nc(c4Cl)Cl; Clc1nccc(C(=O)Nc2ccn3nc(nc3c 2)c4ccccc4)c1Cl |
2,3-dichloro-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide |
| 30246 |  JWS CHEMBL1327043 ZINC000036387975 |
2 | C10 H11 N5 O2 | InChI=1S/C10H11N5O2/c1-17 -5-2-3-7(16)6(4-5)8-13-9( 11)15-10(12)14-8/h2-4,16H ,1H3,(H4,11,12,13,14,15); OQGZVJIFCDXDFS-UHFFFAOYSA-N |
COc1ccc(c(c1)c2nc(nc(n2)N)N)O; n1c(nc(nc 1c2c(O)ccc(OC)c2)N)N; COc1ccc(O)c(c1)c2n c(N)nc(N)n2 |
2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol |
| 30247 |  JWT ZINC000095921414 |
4 | C18 H17 F N4 O4 S | InChI=1S/C18H17FN4O4S/c1- 22(28(26,27)14-9-7-13(19) 8-10-14)15-16(20)23(18(25 )21-17(15)24)11-12-5-3-2- 4-6-12/h2-10H,11,20H2,1H3 ,(H,21,24,25); NBJLHGBRFRTIKT-UHFFFAOYSA-N |
CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(= O)c3ccc(cc3)F; CN(C1=C(N)N(Cc2ccccc2)C(= O)NC1=O)[S](=O)(=O)c3ccc(F)cc3; Fc1ccc(c c1)S(=O)(=O)N(C2=C(N)N(C(=O)NC2=O)Cc3ccc cc3)C |
N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-fluoro-N-methylbenzenesulfonamide |
| 30248 |  JWV CHEMBL5396682 |
1 | C19 H20 N2 O7 S | InChI=1S/C19H20N2O7S/c1-2 8-19(12-29(26,27)13-19)16 (18(24)21-25)20-17(23)15- 9-7-14(8-10-15)6-4-2-3-5- 11-22/h7-10,16,22,25H,5,1 1-13H2,1H3,(H,20,23)(H,21 ,24)/t16-/m1/s1; QVQHZORAUGAARX-MRXNPFEDSA-N |
COC1(C[S](=O)(=O)C1)[CH](NC(=O)c2ccc(cc2 )C#CC#CCCO)C(=O)NO; COC1(CS(=O)(=O)C1)[C @@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO; COC1(CS(=O)(=O)C1)C(C(=O)NO)NC(=O)c2ccc( cc2)C#CC#CCCO; C(CO)C#CC#Cc1ccc(cc1)C(=O )NC(C2(CS(C2)(=O)=O)OC)C(=O)NO; COC1(C[S ](=O)(=O)C1)[C@H](NC(=O)c2ccc(cc2)C#CC#C CCO)C(=O)NO |
N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide |
| 30249 |  JWW CHEMBL2426244 ZINC000008436860 |
3 | C16 H21 N O2 | InChI=1S/C16H21NO2/c1-2-3 -4-5-6-11-14-16(19)15(18) 12-9-7-8-10-13(12)17-14/h 7-10,19H,2-6,11H2,1H3,(H, 17,18); CEIUIHOQDSVZJQ-UHFFFAOYSA-N |
CCCCCCCc1c(c(c2ccccc2n1)O)O; CCCCCCCc1nc 2ccccc2c(O)c1O |
2-heptylquinoline-3,4-diol |
| 30250 |  JWX CHEMBL5182315 |
6 | C22 H22 N2 | InChI=1S/C22H22N2/c1-16(1 9-12-7-9-17-8-3-4-10-20(1 7)19)24(2)15-18-14-23-22- 13-6-5-11-21(18)22/h3-14, 16,23H,15H2,1-2H3/t16-/m1 /s1; SKQKRKDBQBKZJK-MRXNPFEDSA-N |
C[CH](N(C)Cc1c[nH]c2ccccc12)c3cccc4ccccc 34; CC(c1cccc2c1cccc2)N(C)Cc3c[nH]c4c3cc cc4; C[C@H](c1cccc2c1cccc2)N(C)Cc3c[nH]c 4c3cccc4; C[C@@H](N(C)Cc1c[nH]c2ccccc12) c3cccc4ccccc34; CC(c1cccc2ccccc21)N(C)Cc 1c[NH]c2ccccc21 |
(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine |
| 30251 |  JWY |
1 | C24 H21 Cl F N5 O2 | InChI=1S/C24H21ClFN5O2/c1 -3-31-21-12-22(27-2)28-13 -14(21)9-17(23(31)32)16-1 0-20(19(26)11-18(16)25)30 -24(33)29-15-7-5-4-6-8-15 /h4-13H,3H2,1-2H3,(H,27,2 8)(H2,29,30,33); VWSRPILDGFSBIY-UHFFFAOYSA-N |
CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC( =O)Nc4ccccc4)NC; CCN1C(=O)C(=Cc2cnc(NC)c c12)c3cc(NC(=O)Nc4ccccc4)c(F)cc3Cl; c2c( NC(Nc1ccccc1)=O)c(cc(c2C=3C(=O)N(c4c(C=3 )cnc(c4)NC)CC)Cl)F |
N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea |
| 30252 |  JWZ |
4 | C35 H57 N7 O2 | InChI=1S/C35H57N7O2/c1-33 (2)28-11-10-27(30(33)24-2 8)12-19-39-20-15-35(16-21 -39)31(43)41(26-42(35)29- 8-5-4-6-9-29)18-7-17-38(3 )25-34(44)13-22-40(23-14- 34)32(36)37/h4-6,8-9,27-2 8,30,44H,7,10-26H2,1-3H3, (H3,36,37)/t27-,28-,30-/m 0/s1; BOKDSYBHRKGRCS-XEVVZDEMSA-N |
CN(CCCN1CN(c2ccccc2)[C@]3(CCN(CC[C@@H]4C C[C@H]5C[C@@H]4C5(C)C)CC3)C1=O)CC6(O)CCN (CC6)C(N)=N; CN(CCCN1CN(c2ccccc2)[C]3(CC N(CC[CH]4CC[CH]5C[CH]4C5(C)C)CC3)C1=O)CC 6(O)CCN(CC6)C(N)=N; [H]/N=C(/N)\N1CCC(CC 1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H] 4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O; CC1( C2CCC(C1C2)CCN3CCC4(CC3)C(=O)N(CN4c5cccc c5)CCCN(C)CC6(CCN(CC6)C(=N)N)O)C |
4-(((3-(8-(2-((1R,2S,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)propyl)(methyl)amino)methyl)-4-hydroxypiperidine-1-carboximidamide |
| 30253 |  JX0 ZINC000002406940 |
4 | C18 H18 Cl N3 O S | InChI=1S/C18H18ClN3OS/c1- 12-15-11-16(17(23)21-9-3- 2-4-10-21)24-18(15)22(20- 12)14-7-5-13(19)6-8-14/h5 -8,11H,2-4,9-10H2,1H3; XIGJPULZGSRFEL-UHFFFAOYSA-N |
Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)N4CCCC C4; Cc1nn(c2ccc(Cl)cc2)c3sc(cc13)C(=O)N4 CCCCC4; Clc1ccc(cc1)n1nc(C)c2cc(sc21)C(= O)N1CCCCC1 |
[1-(4-chlorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl](piperidin-1-yl)methanone |
| 30254 |  JX1 |
1 | C28 H23 N3 O5 | InChI=1S/C28H23N3O5/c1-15 -6-11-19(20-5-4-12-29-26( 15)20)21-13-22(24(34)14-2 3(21)33)27-25(28(36-31-27 )30-16(2)32)17-7-9-18(35- 3)10-8-17/h4-14,33-34H,1- 3H3,(H,30,32); KKYMWBFTVXNUET-UHFFFAOYSA-N |
Cc1ccc(c2c1nccc2)c3cc(c(cc3O)O)c4c(c(on4 )NC(=O)C)c5ccc(cc5)OC; COc1ccc(cc1)c2c(N C(C)=O)onc2c3cc(c(O)cc3O)c4ccc(C)c5ncccc 45 |
N-[4-(4-methoxyphenyl)-3-[5-(8-methylquinolin-5-yl)-2,4-bis(oxidanyl)phenyl]-1,2-oxazol-5-yl]ethanamide |
| 30255 |  JX2 CHEMBL4464777 |
5 | C30 H33 N3 O4 | InChI=1S/C30H33N3O4/c1-36 -27-16-14-22(19-21(27)15- 17-28(34)31-20-24-11-8-18 -37-24)29-25-12-6-7-13-26 (25)30(35)33(32-29)23-9-4 -2-3-5-10-23/h6-8,11,14,1 6,18-19,23,25-26H,2-5,9-1 0,12-13,20H2,1H3,(H,31,34 )/t25-,26+/m0/s1; LKXRSFQDUFXVGE-IZZNHLLZSA-N |
COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O) [C@H]4[C@@H]3CC=CC4)C5CCCCCC5; COc1ccc(c c1C#CC(=O)NCc2ccco2)C3=NN(C(=O)C4C3CC=CC 4)C5CCCCCC5; COc1ccc(cc1C#CC(=O)NCc2occc 2)C3=NN(C4CCCCCC4)C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1C#CC(=O)NCc2occc2)C3=NN(C4CC CCCC4)C(=O)[C@@H]5CC=CC[C@H]35 |
3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(furan-2-ylmethyl)prop-2-ynamide |
| 30256 |  JX4 |
4 | C21 H23 N7 O | InChI=1S/C21H23N7O/c1-27- 12-14(9-24-27)16-13-28-18 (11-23-21(28)8-19(16)29-2 )17-4-3-5-20(26-17)25-15- 6-7-22-10-15/h3-5,8-9,11- 13,15,22H,6-7,10H2,1-2H3, (H,25,26)/t15-/m1/s1; IALDYVNFZAPNJV-OAHLLOKOSA-N |
Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)NC5 CCNC5; Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc (n4)N[C@@H]5CCNC5; c1c(c(OC)cc2ncc(n12)c 3nc(ccc3)NC4CNCC4)c5cn(C)nc5; COc1cc2ncc (n2cc1c3cnn(C)c3)c4cccc(N[CH]5CCNC5)n4; COc1cc2ncc(n2cc1c3cnn(C)c3)c4cccc(N[C@@H ]5CCNC5)n4 |
6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine |
| 30257 |  JX5 CHEMBL4590944 |
1 | C20 H25 I N4 O9 | InChI=1S/C20H25IN4O9/c21- 12-5-3-11(4-6-12)17(29)22 -9-1-2-15(26)24-14(19(32) 33)10-23-20(34)25-13(18(3 0)31)7-8-16(27)28/h3-6,13 -14H,1-2,7-10H2,(H,22,29) (H,24,26)(H,27,28)(H,30,3 1)(H,32,33)(H2,23,25,34)/ t13-,14+/m0/s1; AOGSPOQTLUVJFT-UONOGXRCSA-N |
c1cc(ccc1C(=O)NCCCC(=O)NC(CNC(=O)NC(CCC( =O)O)C(=O)O)C(=O)O)I; c1cc(ccc1C(=O)NCCC C(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O )O)C(=O)O)I; OC(=O)CC[C@H](NC(=O)NC[C@@H ](NC(=O)CCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O) =O; OC(=O)CC[CH](NC(=O)NC[CH](NC(=O)CCCN C(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |
(2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid |
| 30258 |  JX6 |
1 | C22 H33 N3 O5 | InChI=1S/C22H33N3O5/c1-22 (2,3)12-18(25-21(29)30-14 -15-7-5-4-6-8-15)20(28)24 -17(13-26)11-16-9-10-23-1 9(16)27/h4-8,16-18,26H,9- 14H2,1-3H3,(H,23,27)(H,24 ,28)(H,25,29)/t16-,17+,18 -/m0/s1; GVWXWUJUDUDFRS-KSZLIROESA-N |
CC(C)(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C @H](CO)C[C@@H]2CCNC2=O; CC(C)(C)C[CH](NC (=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCNC2 =O; CC(C)(C)CC(NC(=O)OCc1ccccc1)C(=O)NC( CC1CCNC1=O)CO; CC(C)(C)C[C@@H](C(=O)N[C@ @H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2; CC(C)(C)CC(C(=O)NC(CC1CCNC1=O)CO)NC(=O) OCc2ccccc2 |
N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide |
| 30259 |  JX7 ZINC000001529743 |
1 | C6 H11 N3 O3 | InChI=1S/C6H11N3O3/c7-6(8 )9-3-1-2-4(10)5(11)12/h1- 3H2,(H,11,12)(H4,7,8,9); ARBHXJXXVVHMET-UHFFFAOYSA-N |
[H]/N=C(/N)\NCCCC(=O)C(=O)O; NC(=N)NCCCC (=O)C(O)=O; O=C(CCCNC(=N)\N)C(O)=O; C(CC (=O)C(=O)O)CNC(=N)N |
5-carbamimidamido-2-oxopentanoic acid |
| 30260 |  JX8 CHEMBL1406064 ZINC000036381407 |
3 | C10 H7 N5 O | InChI=1S/C10H7N5O/c16-8-4 -3-7(10-12-14-15-13-10)6- 2-1-5-11-9(6)8/h1-5,16H,( H,12,13,14,15); COSOIVLLWHGBPW-UHFFFAOYSA-N |
c1cc2c(ccc(c2nc1)O)c3[nH]nnn3; Oc1ccc(c2 [nH]nnn2)c3cccnc13 |
5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol |
| 30261 |  JX9 CHEMBL4928131 ZINC000004225170 |
4 | C12 H17 N5 | InChI=1S/C12H17N5/c1-17(9 -5-3-2-4-6-9)12-10-11(14- 7-13-10)15-8-16-12/h7-9H, 2-6H2,1H3,(H,13,14,15,16); OZPJIMVEOOWKCR-UHFFFAOYSA-N |
CN(c1ncnc2nc[NH]c12)C1CCCCC1; CN(c1c2c(n c[nH]2)ncn1)C3CCCCC3; CN(C1CCCCC1)c2ncnc 3nc[nH]c23 |
N-cyclohexyl-N-methyl-7H-purin-6-amine |
| 30262 |  JXA |
1 | C13 H14 Cl2 N4 O2 | InChI=1S/C13H14Cl2N4O2/c1 4-8-1-7(2-9(15)3-8)10-5-1 9(18-17-10)6-11-13(21)12( 20)4-16-11/h1-3,5,11-13,1 6,20-21H,4,6H2/t11-,12-,1 3+/m1/s1; QVWPLFTVMWIDFF-UPJWGTAASA-N |
O[CH]1CN[CH](Cn2cc(nn2)c3cc(Cl)cc(Cl)c3) [CH]1O; O[C@@H]1CN[C@H](Cn2cc(nn2)c3cc(C l)cc(Cl)c3)[C@@H]1O; c1c(cc(cc1Cl)Cl)c2c n(nn2)CC3C(C(CN3)O)O; C1(C(CNC1Cn3cc(c2c c(cc(Cl)c2)Cl)nn3)O)O; c1c(cc(cc1Cl)Cl)c 2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O |
(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol |
| 30263 |  JXB |
1 | C9 H11 Br N8 | InChI=1S/C9H11BrN8/c10-9- 16-6-7(11)13-5-14-8(6)18( 9)4-2-1-3-15-17-12/h5H,1- 4H2,(H2,11,13,14); UOIUSKVGBLVETF-UHFFFAOYSA-N |
c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N; Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12 |
9-(4-azidobutyl)-8-bromanyl-purin-6-amine |
| 30264 |  JXD |
1 | C46 H78 N2 O17 P2 | InChI=1S/C46H78N2O17P2/c1 -29(2)15-10-16-30(3)17-11 -18-31(4)19-12-20-32(5)21 -13-22-33(6)23-14-24-34(7 )25-26-60-66(56,57)65-67( 58,59)64-46-40(48-36(9)52 )43(55)44(38(28-50)62-46) 63-45-39(47-35(8)51)42(54 )41(53)37(27-49)61-45/h15 ,17,19,21,23,25,37-46,49- 50,53-55H,10-14,16,18,20, 22,24,26-28H2,1-9H3,(H,47 ,51)(H,48,52)(H,56,57)(H, 58,59)/b30-17+,31-19+,32- 21-,33-23-,34-25-/t37-,38 -,39+,40-,41-,42-,43-,44- ,45+,46-/m1/s1; MUXGVGLOWSLCMK-NSGWRCNHSA-N |
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC CC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]1O[CH ](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[ CH]2NC(C)=O)[CH](O)[CH]1NC(C)=O; C1(O)C( O)C(C(OC1CO)OC2C(O)C(C(OC2CO)OP(=O)(OP(O )(OC[C@H]=C(CC[C@H]=C(C)CC[C@H]=C(CC\C=C (\CC\C=C(/C)CC[C@H]=C(C)C)C)C)C)=O)O)NC( C)=O)NC(C)=O; CC(=CCC/C(=C/CC/C(=C/CC/C( =C\CC/C(=C\CC/C(=C\COP(=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)O) NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C; CC(C )=CCC/C(C)=C/CC/C(C)=C/CC\C(C)=C/CC\C(C) =C/CC\C(C)=C/CO[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](O)[C@@H]2NC(C)=O)[C@H](O)[C @H]1NC(C)=O; CC(=CCCC(=CCCC(=CCCC(=CCCC( =CCCC(=CCOP(=O)(O)OP(=O)(O)OC1C(C(C(C(O1 )CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)NC(=O )C)C)C)C)C)C)C |
|
| 30265 |  JXE |
1 | C9 H11 Br2 N5 | InChI=1S/C9H11Br2N5/c10-3 -1-2-4-16-8-6(15-9(16)11) 7(12)13-5-14-8/h5H,1-4H2, (H2,12,13,14); VZDKFJGKRZGJKU-UHFFFAOYSA-N |
c1nc(c2c(n1)n(c(n2)Br)CCCCBr)N; Nc1ncnc2 n(CCCCBr)c(Br)nc12 |
8-bromanyl-9-(4-bromanylbutyl)purin-6-amine |
| 30266 |  JXF ZINC000001621018 |
4 | C16 H20 N2 O6 S | InChI=1S/C16H20N2O6S/c1-1 6(2)12(15(22)23)18-13(25- 16)11(14(20)21)17-10(19)8 -24-9-6-4-3-5-7-9/h3-7,11 -13,18H,8H2,1-2H3,(H,17,1 9)(H,20,21)(H,22,23)/t11- ,12-,13+/m0/s1; FJTUHYOOCYRLJI-RWMBFGLXSA-N |
CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2ccccc2)C( =O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC (=O)COc2ccccc2)C(O)=O; CC1([C@@H](N[C@H] (S1)[C@@H](C(=O)O)NC(=O)COc2ccccc2)C(=O) O)C; CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](N C(=O)COc2ccccc2)C(O)=O |
(2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid |
| 30267 |  JXG |
3 | C8 H13 N3 O6 S | InChI=1S/C8H13N3O6S/c1-5- 2-6(10-17-18(14,15)16)3-1 1(4-12)7(5)8(9)13/h2,4,6- 7,10H,3H2,1H3,(H2,9,13)(H ,14,15,16)/t6-,7+/m1/s1; DDVLLOCREWHCBP-RQJHMYQMSA-N |
CC1=C[C@H](CN([C@@H]1C(=O)N)C=O)NOS(=O)( =O)O; CC1=CC(CN(C1C(=O)N)C=O)NOS(=O)(=O) O; OS(=O)(=O)ONC1CN(C(C(=C1)C)C(=O)N)C=O ; CC1=C[CH](CN(C=O)[CH]1C(N)=O)NO[S](O)( =O)=O; CC1=C[C@H](CN(C=O)[C@@H]1C(N)=O)N O[S](O)(=O)=O |
(2S,5R)-1-formyl-3-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide; ETX2514 bound form |
| 30268 |  JXH |
1 | C10 H12 Br N5 O | InChI=1S/C10H12BrN5O/c11- 10-15-7-8(12)13-5-14-9(7) 16(10)6-3-1-2-4-17-6/h5-6 H,1-4H2,(H2,12,13,14)/t6- /m1/s1; FIUISBLUSBJAII-ZCFIWIBFSA-N |
Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12; Nc1ncnc 2n([C@H]3CCCCO3)c(Br)nc12; c1nc(c2c(n1)n (c(n2)Br)[C@H]3CCCCO3)N; c1nc(c2c(n1)n(c (n2)Br)C3CCCCO3)N |
8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine |
| 30269 |  JXI |
4 | C18 H16 N6 O | InChI=1S/C18H16N6O/c1-23- 11-14(12-6-4-3-5-7-12)20- 16(23)9-8-15-21-17-13(18( 25)22-15)10-19-24(17)2/h3 -11H,1-2H3,(H,21,22,25)/b 9-8+; QWEVUBZNBIDEBQ-CMDGGOBGSA-N |
Cn1cc(nc1C=CC2=Nc3c(cnn3C)C(=O)N2)c4cccc c4; Cn1cc(nc1/C=C/C1=Nc2c(cnn2C)C(=O)N1) c1ccccc1; Cn1cc(nc1/C=C/C2=Nc3c(cnn3C)C( =O)N2)c4ccccc4; Cn1cc(nc1\C=C\C2=Nc3n(C) ncc3C(=O)N2)c4ccccc4; Cn1cc(nc1C=CC2=Nc3 n(C)ncc3C(=O)N2)c4ccccc4 |
1-methyl-6-[(E)-2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethen-1-yl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| 30270 |  JXJ |
2 | C14 H19 N5 O9 S2 | InChI=1S/C14H19N5O9S2/c1- 13(2,19-28-30(24,25)26)8( 5-20)17-10(21)9(7-6-29-12 (15)16-7)18-27-14(3-4-14) 11(22)23/h5-6,8,19H,3-4H2 ,1-2H3,(H2,15,16)(H,17,21 )(H,22,23)(H,24,25,26)/b1 8-9-/t8-/m1/s1; IGCRMLSJLQPZRL-ZWJKEBRUSA-N |
CC(C)(NO[S](O)(=O)=O)[CH](NC(=O)C(=NOC1( CC1)C(O)=O)c2csc(N)n2)C=O; CC(C)([C@@H]( C=O)NC(=O)/C(=N\OC1(CC1)C(=O)O)/c2csc(n2 )N)NOS(=O)(=O)O; CC(C)(C(C=O)NC(=O)C(=NO C1(CC1)C(=O)O)c2csc(n2)N)NOS(=O)(=O)O; C C(C)(NO[S](O)(=O)=O)[C@H](NC(=O)\C(=N/OC 1(CC1)C(O)=O)c2csc(N)n2)C=O |
1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid |
| 30271 |  JXK |
1 | C8 H11 Br N6 | InChI=1S/C8H11BrN6/c9-8-1 4-5-6(11)12-4-13-7(5)15(8 )3-1-2-10/h4H,1-3,10H2,(H 2,11,12,13); PUSZSAUISWVTAT-UHFFFAOYSA-N |
c1nc(c2c(n1)n(c(n2)Br)CCCN)N; NCCCn1c(Br )nc2c(N)ncnc12 |
9-(3-azanylpropyl)-8-bromanyl-purin-6-amine |
| 30272 |  JXL ZINC000169743756 |
6 | C5 H6 B F3 N2 O2 | InChI=1S/C5H6BF3N2O2/c1-1 1-4(6(12)13)2-3(10-11)5(7 ,8)9/h2,12-13H,1H3; XPUNXPPXMANQGF-UHFFFAOYSA-N |
B(c1cc(nn1C)C(F)(F)F)(O)O; Cn1nc(cc1B(O) O)C(F)(F)F |
[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid |
| 30273 |  JXM CHEMBL4536755 ZINC000114867562 |
1 | C20 H23 F3 N4 O3 | InChI=1S/C20H23F3N4O3/c21 -20(22,23)16-6-7-26-18(29 )12-17(25-8-10-30-11-9-25 )24-19(26)27(16)13-15(28) 14-4-2-1-3-5-14/h1-5,12,1 5-16,28H,6-11,13H2/t15-,1 6-/m0/s1; PZFUMOISBVVUGC-HOTGVXAUSA-N |
O[CH](CN1[CH](CCN2C(=O)C=C(N=C12)N3CCOCC 3)C(F)(F)F)c4ccccc4; c1ccc(cc1)C(CN2C(CC N3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O; FC(F )(F)C3N(C2=NC(N1CCOCC1)=CC(=O)N2CC3)CC(O )c4ccccc4; O[C@@H](CN1[C@@H](CCN2C(=O)C= C(N=C12)N3CCOCC3)C(F)(F)F)c4ccccc4; c1cc c(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N 4CCOCC4)C(F)(F)F)O |
(8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one |
| 30274 |  JXN CHEMBL468633 |
1 | C7 H8 Br N5 | InChI=1S/C7H8BrN5/c1-2-13 -6-4(12-7(13)8)5(9)10-3-1 1-6/h3H,2H2,1H3,(H2,9,10, 11); GACDSQLJMZANKT-UHFFFAOYSA-N |
CCn1c(Br)nc2c(N)ncnc12; CCn1c2c(c(ncn2)N )nc1Br |
8-bromanyl-9-ethyl-purin-6-amine |
| 30275 |  JXO |
4 | C8 H6 Cl N3 | InChI=1S/C8H6ClN3/c9-5-1- 2-6-7(3-5)11-4-8(10)12-6/ h1-4H,(H2,10,12); OBVIIEVSLRCJSF-UHFFFAOYSA-N |
Nc1cnc2cc(Cl)ccc2n1; c1cc2c(cc1Cl)ncc(n2 )N; Clc1ccc2nc(N)cnc2c1 |
6-chloroquinoxalin-2-amine |
| 30276 |  JXP CHEMBL4582838 |
1 | C18 H13 Cl F N5 O | InChI=1S/C18H13ClFN5O/c19 -14-5-4-11(10-2-1-3-13(20 )7-10)6-12(14)9-26-15-8-1 6(21)22-18-17(15)23-25-24 -18/h1-8H,9H2,(H3,21,22,2 3,24,25); ZMHGTFZMJCIDLN-UHFFFAOYSA-N |
c1(cccc(c1)F)c2cc(c(cc2)Cl)COc4cc(nc3c4n nn3)N; Nc1cc(OCc2cc(ccc2Cl)c3cccc(F)c3)c 4[nH]nnc4n1; c1cc(cc(c1)F)c2ccc(c(c2)COc 3cc(nc4c3[nH]nn4)N)Cl |
7-[(4-chloro-3'-fluoro[1,1'-biphenyl]-3-yl)methoxy]-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 30277 |  JXQ |
1 | C11 H13 N5 | InChI=1S/C11H13N5/c1-2-3- 4-5-6-16-8-15-9-10(12)13- 7-14-11(9)16/h1,7-8H,3-6H 2,(H2,12,13,14); VJWZTRUHTCSPRU-UHFFFAOYSA-N |
Nc1ncnc2n(CCCCC#C)cnc12; C#CCCCCn1cnc2c1 ncnc2N |
9-hex-5-ynylpurin-6-amine |
| 30278 |  JXS CHEMBL4443052 |
6 | C16 H15 N7 O | InChI=1S/C16H15N7O/c1-23- 6-5-12(21-23)11-4-2-3-10( 7-11)9-24-13-8-14(17)18-1 6-15(13)19-22-20-16/h2-8H ,9H2,1H3,(H3,17,18,19,20, 22); WGMJNFFLMIILAZ-UHFFFAOYSA-N |
c3c(COc2cc(nc1nnnc12)N)cccc3c4ccn(C)n4; Cn1ccc(n1)c2cccc(COc3cc(N)nc4nn[nH]c34)c 2; Cn1ccc(n1)c2cccc(c2)COc3cc(nc4c3[nH]n n4)N |
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
| 30279 |  JXT |
1 | C10 H10 Br N5 | InChI=1S/C10H10BrN5/c1-2- 3-4-5-16-9-7(15-10(16)11) 8(12)13-6-14-9/h1,6H,3-5H 2,(H2,12,13,14); WCMPBWUQKLZDKB-UHFFFAOYSA-N |
Nc1ncnc2n(CCCC#C)c(Br)nc12; C#CCCCn1c2c( c(ncn2)N)nc1Br |
8-bromanyl-9-pent-4-ynyl-purin-6-amine |
| 30280 |  JXV |
4 | C20 H19 N3 O3 | InChI=1S/C20H19N3O3/c24-1 7(14-4-2-1-3-5-14)12-21-2 0-11-16(22-13-23-20)15-6- 7-18-19(10-15)26-9-8-25-1 8/h1-7,10-11,13,17,24H,8- 9,12H2,(H,21,22,23)/t17-/ m0/s1; GLHLIDXOLIDWKE-KRWDZBQOSA-N |
c1ccc(cc1)C(CNc2cc(ncn2)c3ccc4c(c3)OCCO4 )O; O[C@@H](CNc1cc(ncn1)c2ccc3OCCOc3c2)c 4ccccc4; O[CH](CNc1cc(ncn1)c2ccc3OCCOc3c 2)c4ccccc4; c1(ccc2c(c1)OCCO2)c3cc(ncn3) NCC(O)c4ccccc4; c1ccc(cc1)[C@H](CNc2cc(n cn2)c3ccc4c(c3)OCCO4)O |
(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol |
| 30281 |  JXW |
1 | C8 H10 Cl N5 | InChI=1S/C8H10ClN5/c1-5-1 3-6-7(10)11-4-12-8(6)14(5 )3-2-9/h4H,2-3H2,1H3,(H2, 10,11,12); XOAPLONMSUKXAM-UHFFFAOYSA-N |
Cc1nc2c(N)ncnc2n1CCCl; Cc1nc2c(ncnc2n1CC Cl)N |
9-(2-chloroethyl)-8-methyl-purin-6-amine |
| 30282 |  JXX ZINC000003219793 |
4 | C12 H12 Cl N3 O | InChI=1S/C12H12ClN3O/c13- 12-14-10-4-2-1-3-9(10)11( 15-12)16-5-7-17-8-6-16/h1 -4H,5-8H2; NJBDGZVAZRMIFM-UHFFFAOYSA-N |
Clc1nc(N2CCOCC2)c2ccccc2n1; Clc1nc2ccccc 2c(n1)N3CCOCC3; c1ccc2c(c1)c(nc(n2)Cl)N3 CCOCC3 |
2-chloro-4-(morpholin-4-yl)quinazoline |
| 30283 |  JXY CHEMBL507611 ZINC000004098306 |
1 | C17 H16 O5 | InChI=1S/C17H16O5/c1-8-15 (20)9(2)17-14(16(8)21)12( 19)7-13(22-17)10-3-5-11(1 8)6-4-10/h3-6,13,18,20-21 H,7H2,1-2H3/t13-/m0/s1; DYHOLQACRGJEHX-ZDUSSCGKSA-N |
Cc1c(c(c2c(c1O)C(=O)C[C@H](O2)c3ccc(cc3) O)C)O; Cc1c(O)c(C)c2O[CH](CC(=O)c2c1O)c3 ccc(O)cc3; Cc1c(O)c(C)c2O[C@@H](CC(=O)c2 c1O)c3ccc(O)cc3; Cc1c(c(c2c(c1O)C(=O)CC( O2)c3ccc(cc3)O)C)O |
(2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one; Farrerol |
| 30284 |  JXZ |
1 | C8 H11 N5 O | InChI=1S/C8H11N5O/c1-5-12 -6-7(9)10-4-11-8(6)13(5)2 -3-14/h4,14H,2-3H2,1H3,(H 2,9,10,11); JSYNJZZGNMUJED-UHFFFAOYSA-N |
Cc1nc2c(N)ncnc2n1CCO; Cc1nc2c(ncnc2n1CCO )N |
2-(6-azanyl-8-methyl-purin-9-yl)ethanol |
| 30285 |  JY ZINC000033821377 |
2 | C28 H38 O2 | InChI=1S/C28H38O2/c1-19-9 -12-25(30)18-23(19)11-10- 22-7-5-15-28(3)26(13-14-2 7(22)28)20(2)16-21-6-4-8- 24(29)17-21/h4,6,8,10-11, 17,20,25-27,29-30H,1,5,7, 9,12-16,18H2,2-3H3/b22-10 +,23-11-/t20-,25+,26-,27+ ,28-/m1/s1; FUULLJKQLABNSA-YPMWTJJSSA-N |
CC(Cc1cccc(c1)O)C2CCC3C2(CCCC3=CC=C4CC(C CC4=C)O)C; OC4CC(=C/C=C2\CCCC3(C)C(C(C)C c1cccc(O)c1)CCC23)/C(=C)CC4; C[C@H](Cc1c ccc(O)c1)[C@H]2CC[C@H]3C(/CCC[C@]23C)=C/ C=C4/C[C@@H](O)CCC4=C; C[CH](Cc1cccc(O)c 1)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O) CCC4=C; C[C@H](Cc1cccc(c1)O)[C@H]2CC[C@@ H]\3[C@@]2(CCC/C3=C\C=C4C[C@H](CCC4=C)O) C |
3-(2-{4-[2-(5-HYDROXY-2-METHYLENE-CYCLOHEXYLIDENE)-ETHYLIDENE]-7A-METHYL-OCTAHYDRO-INDEN-1-YL}-PROPYL)-PHENOL; 22-(M-HYDROXYPHENYL)-23,24,25,26,27-PENTANOR VITAMIN D3 |
| 30286 |  JY0 |
1 | C23 H35 N3 O6 | InChI=1S/C23H35N3O6/c1-15 (32-23(2,3)4)19(26-22(30) 31-14-16-8-6-5-7-9-16)21( 29)25-18(13-27)12-17-10-1 1-24-20(17)28/h5-9,15,17- 19,27H,10-14H2,1-4H3,(H,2 4,28)(H,25,29)(H,26,30)/t 15-,17-,18-,19-/m0/s1; DCDIPOZOXMQJTA-WNHJNPCNSA-N |
C[CH](OC(C)(C)C)[CH](NC(=O)OCc1ccccc1)C( =O)N[CH](CO)C[CH]2CCNC2=O; CC(C)(C)OC(C) C(NC(=O)OCc1ccccc1)C(=O)NC(CC1CCNC1=O)CO ; C[C@@H]([C@@H](C(=O)N[C@@H](C[C@@H]1CC NC1=O)CO)NC(=O)OCc2ccccc2)OC(C)(C)C; CC( C(C(=O)NC(CC1CCNC1=O)CO)NC(=O)OCc2ccccc2 )OC(C)(C)C; C[C@H](OC(C)(C)C)[C@H](NC(=O )OCc1ccccc1)C(=O)N[C@H](CO)C[C@@H]2CCNC2 =O |
benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate |
| 30287 |  JY1 |
4 | C36 H74 N6 O6 P4 Rh | InChI=1S/2C13H24N3O3P.2C5 H13P.Rh/c2*1-3-20(4-2)10- 14-9-11(17)15-7-8-16-12(1 8)5-6-13(16)19;2*1-4-6(3) 5-2;/h2*14H,3-10H2,1-2H3, (H,15,17);2*4-5H2,1-3H3;/ q;;;;-4/p+4; WBSWUPZUVFVXQZ-UHFFFAOYSA-R |
[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NC CN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O) CCC2=O; C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O) =O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C (CCC2=O)=O)=O)P(C)(CC)CC; CC[P](C)(CC)[R h]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN 1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(= O)CCC2=O |
bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium |
| 30288 |  JY2 |
1 | C11 H13 N5 | InChI=1S/C11H13N5/c1-3-4- 5-6-16-8(2)15-9-10(12)13- 7-14-11(9)16/h1,7H,4-6H2, 2H3,(H2,12,13,14); XNRGOKLMAXATIA-UHFFFAOYSA-N |
Cc1nc2c(N)ncnc2n1CCCC#C; Cc1nc2c(ncnc2n1 CCCC#C)N |
8-methyl-9-pent-4-ynyl-purin-6-amine |
| 30289 |  JY3 |
4 | C18 H18 N4 O S2 | InChI=1S/C18H18N4OS2/c1-1 0(2)23-15-6-12(19-7-11(15 )3)8-24-18-21-13-4-5-14-1 7(16(13)22-18)25-9-20-14/ h4-7,9-10H,8H2,1-3H3,(H,2 1,22); RSRICYKFVYNWJI-UHFFFAOYSA-N |
CC(C)Oc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1 ; CC(C)Oc1cc(CSc2[nH]c3c(ccc4ncsc34)n2)n cc1C; Cc1cnc(cc1OC(C)C)CSc2[nH]c3c(n2)cc c4c3scn4 |
7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole |
| 30290 |  JY4 CHEMBL4534373 ZINC000009060386 |
1 | C12 H12 N4 O2 | InChI=1S/C12H12N4O2/c1-6- 11-7-4-9(17-2)10(18-3)5-8 (7)14-16-12(11)15-13-6/h4 -5H,1-3H3,(H,13,15,16); NOAZBIGPIKIKDQ-UHFFFAOYSA-N |
c23c1c(cc(c(c1)OC)OC)nnc2nnc3C; COc1cc2n nc3n[nH]c(C)c3c2cc1OC; Cc1c2c3cc(c(cc3nn c2n[nH]1)OC)OC |
7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline |
| 30291 |  JY5 |
1 | C13 H15 N5 O2 | InChI=1S/C13H15N5O2/c14-1 2-11-13(16-8-15-12)18(9(1 7-11)4-3-6-19)10-5-1-2-7- 20-10/h8,10,19H,1-2,5-7H2 ,(H2,14,15,16)/t10-/m1/s1; AVGMEYBYAVAZNQ-SNVBAGLBSA-N |
Nc1ncnc2n([C@H]3CCCCO3)c(nc12)C#CCO; c1n c(c2c(n1)n(c(n2)C#CCO)C3CCCCO3)N; Nc1ncn c2n([CH]3CCCCO3)c(nc12)C#CCO; c1nc(c2c(n 1)n(c(n2)C#CCO)[C@H]3CCCCO3)N |
3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol |
| 30292 |  JY6 CHEMBL1276127 ZINC000018825333 |
2 | C16 H10 N2 O2 | InChI=1S/C16H10N2O2/c19-1 5-10-6-2-4-8-12(10)17-14( 15)13-9-5-1-3-7-11(9)18-1 6(13)20/h1-8,17H,(H,18,20 )/b14-13-; CRDNMYFJWFXOCH-YPKPFQOOSA-N |
c1ccc2c(c1)C(=C3C(=O)c4ccccc4N3)C(=O)N2; c1ccc2c(c1)/C(=C/3\C(=O)c4ccccc4N3)/C(= O)N2; O=C1Nc2ccccc2C1=C3Nc4ccccc4C3=O; O =C1Nc2ccccc2\C1=C/3Nc4ccccc4C/3=O |
(3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one; indirubin |
| 30293 |  JY7 CHEMBL4456157 |
2 | C17 H14 F N5 O | InChI=1S/C17H14FN5O/c1-9- 8-19-5-4-11(9)16-14-12-6- 10(18)7-13(24-3)15(12)20- 21-17(14)23(2)22-16/h4-8H ,1-3H3; BEHIYTQDLXFKJV-UHFFFAOYSA-N |
COc1cc(F)cc2c1nnc3n(C)nc(c4ccncc4C)c23; Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F; n1nc3n(nc(c3c2cc(cc(c12)OC)F)c4ccncc4C)C |
8-fluoro-6-methoxy-3-methyl-1-(3-methylpyridin-4-yl)-3H-pyrazolo[3,4-c]cinnoline |
| 30294 |  JY8 |
1 | C8 H11 N5 | InChI=1S/C8H11N5/c1-3-13- 5(2)12-6-7(9)10-4-11-8(6) 13/h4H,3H2,1-2H3,(H2,9,10 ,11); XTIWXGMLCTZPOO-UHFFFAOYSA-N |
CCn1c(nc2c1ncnc2N)C; CCn1c(C)nc2c(N)ncnc 12 |
9-ethyl-8-methyl-purin-6-amine |
| 30295 |  JY9 |
0 | C27 H31 N4 O5 P | InChI=1S/C27H31N4O5P/c28- 17-20-7-3-9-22-19(6-1-2-1 5-36-37(34)35)16-24(30-25 (20)22)27(33)31-23-12-11- 18(8-5-14-32)21-10-4-13-2 9-26(21)23/h3-4,7,9-13,16 ,32,34-35H,1-2,5-6,8,14-1 5,17,28H2,(H,31,33); BOKZCLFXARXCEP-UHFFFAOYSA-N |
NCc1cccc2c(CCCCOP(O)O)cc(nc12)C(=O)Nc3cc c(CCCO)c4cccnc34; c1cc(c2c(c1)c(cc(n2)C( =O)Nc3ccc(c4c3nccc4)CCCO)CCCCOP(O)O)CN |
4-[8-(aminomethyl)-2-[[5-(3-oxidanylpropyl)quinolin-8-yl]carbamoyl]quinolin-4-yl]butyl dihydrogen phosphite |
| 30296 |  JYA CHEMBL1086265 ZINC000049053563 |
4 | C15 H15 N5 O | InChI=1S/C15H15N5O/c1-4-5 -12-17-9(2)14-11(8-16)18- 10-6-7-13(21-3)19-15(10)2 0(12)14/h6-7H,4-5H2,1-3H3; GQYPTVVKCVYXLX-UHFFFAOYSA-N |
CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C#N)C; COc1 ccc2nc(C#N)c3c(C)nc(CCC)n3c2n1; CCCc1nc( C)c2n1c3nc(OC)ccc3nc2C#N |
(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile |
| 30297 |  JYB |
1 | C9 H9 N5 | InChI=1S/C9H9N5/c1-3-6-13 -7-8(10)11-5-12-9(7)14(6) 4-2/h1,5H,4H2,2H3,(H2,10, 11,12); AZRUGQVPCIZUAB-UHFFFAOYSA-N |
CCn1c(nc2c1ncnc2N)C#C; CCn1c(nc2c(N)ncnc 12)C#C |
9-ethyl-8-ethynyl-purin-6-amine |
| 30298 |  JYD CHEMBL1741823 ZINC000004692839 |
6 | C4 H6 O4 S | InChI=1S/C4H6O4S/c5-3(6)1 -2(9)4(7)8/h2,9H,1H2,(H,5 ,6)(H,7,8)/t2-/m0/s1; NJRXVEJTAYWCQJ-REOHCLBHSA-N |
C([C@@H](C(=O)O)S)C(=O)O; C(C(=O)O)C(S)C (O)=O; C(C(C(=O)O)S)C(=O)O; OC(=O)C[C@H] (S)C(O)=O; OC(=O)C[CH](S)C(O)=O |
(2S)-2-sulfanylbutanedioic acid; thiomalate |
| 30299 |  JYE |
1 | C8 H9 Br N8 | InChI=1S/C8H9BrN8/c9-8-15 -5-6(10)12-4-13-7(5)17(8) 3-1-2-14-16-11/h4H,1-3H2, (H2,10,12,13); MCUGUHUWEQYYKC-UHFFFAOYSA-N |
Nc1ncnc2n(CCCN=[N+]=[N-])c(Br)nc12; c1nc (c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N |
9-(3-azidopropyl)-8-bromanyl-purin-6-amine |
| 30300 |  JYF CHEMBL1441128 ZINC000008220708 |
2 | C2 H2 Cl2 | InChI=1S/C2H2Cl2/c3-1-2-4 /h1-2H/b2-1-; KFUSEUYYWQURPO-UPHRSURJSA-N |
C(=CCl)Cl; C(=C\Cl)\Cl; ClC=CCl; Cl\C=C/ Cl |
(~{Z})-1,2-bis(chloranyl)ethene |
| 30301 |  JYG CHEMBL4568404 |
1 | C23 H25 N5 O2 | InChI=1S/C23H25N5O2/c1-12 -17-15(19(29)24-12)11-16( 25-17)13-5-4-6-14-18(13)2 6-21(27-22(2)7-8-22)28(20 (14)30)23(3)9-10-23/h4-6, 11-12,25H,7-10H2,1-3H3,(H ,24,29)(H,26,27)/t12-/m1/ s1; WPKXXVMGORDACP-GFCCVEGCSA-N |
C[C@H]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N( C(=Nc34)NC5(C)CC5)C6(C)CC6; CC1NC(c2c1nc (c2)c3c5c(ccc3)C(N(C(NC4(CC4)C)=N5)C6(CC 6)C)=O)=O; C[C@@H]1c2c(cc([nH]2)c3cccc4c 3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1; C[CH]1NC(=O)c2cc([nH]c12)c3cccc4C(=O)N(C (=Nc34)NC5(C)CC5)C6(C)CC6; CC1c2c(cc([nH ]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6) C)C(=O)N1 |
3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one |
| 30302 |  JYH ZINC000098209058 |
2 | C24 H17 N O3 | InChI=1S/C24H17NO3/c26-23 (25-20-13-11-18(12-14-20) 24(27)28)19-10-9-17-7-4-8 -21(22(17)15-19)16-5-2-1- 3-6-16/h1-15H,(H,25,26)(H ,27,28); BVFVCDJTSNPOPW-UHFFFAOYSA-N |
c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc 4)C(=O)O; OC(=O)c1ccc(NC(=O)c2ccc3cccc(c 4ccccc4)c3c2)cc1; O=C(Nc1ccc(cc1)C(=O)O) c4cc3c(c2ccccc2)cccc3cc4 |
4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid |
| 30303 |  JYI ZINC000065731567 |
2 | C27 H23 Cl O2 | InChI=1S/C27H23ClO2/c1-27 (2)15-14-22(19-6-4-3-5-7- 19)23-16-18(9-13-24(23)27 )8-10-20-11-12-21(26(29)3 0)17-25(20)28/h3-14,16-17 H,15H2,1-2H3,(H,29,30)/b1 0-8+; FRTYVAKGTFXRNY-CSKARUKUSA-N |
CC1(CC=C(c2c1ccc(c2)C=Cc3ccc(cc3Cl)C(=O) O)c4ccccc4)C; CC1(CC=C(c2c1ccc(c2)/C=C/c 3ccc(cc3Cl)C(=O)O)c4ccccc4)C; CC1(C)CC=C (c2ccccc2)c3cc(C=Cc4ccc(cc4Cl)C(O)=O)ccc 13; CC1(C)CC=C(c2ccccc2)c3cc(\C=C\c4ccc( cc4Cl)C(O)=O)ccc13; O=C(O)c1ccc(c(Cl)c1) \C=C\c4ccc2c(C(=CCC2(C)C)c3ccccc3)c4 |
3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-5,6-dihydronaphthalen-2-yl)ethenyl]benzoic acid |
| 30304 |  JYJ ZINC000095365203 |
1 | C19 H19 Cl N2 O2 S | InChI=1S/C19H19ClN2O2S/c2 0-16-3-1-2-15(12-16)19(5- 6-19)18(24)22-9-7-21(8-10 -22)17(23)14-4-11-25-13-1 4/h1-4,11-13H,5-10H2; QLLWPYBYUHWDTN-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O )c4ccsc4; Clc1cccc(c1)C2(CC2)C(=O)N3CCN( CC3)C(=O)c4cscc4; C1C(C1)(C(N2CCN(CC2)C( =O)c3ccsc3)=O)c4cccc(c4)Cl |
{4-[1-(3-chlorophenyl)cyclopropane-1-carbonyl]piperazin-1-yl}(thiophen-3-yl)methanone |
| 30305 |  JYK |
1 | C7 H7 Br N8 | InChI=1S/C7H7BrN8/c8-7-14 -4-5(9)11-3-12-6(4)16(7)2 -1-13-15-10/h3H,1-2H2,(H2 ,9,11,12); LMIPSSRPSGTFEB-UHFFFAOYSA-N |
Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12; c1nc( c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N |
9-(2-azidoethyl)-8-bromanyl-purin-6-amine |
| 30306 |  JYL |
4 | C22 H24 N6 O | InChI=1S/C22H24N6O/c1-15( 2)20-25-26-21-17(10-7-13- 28(20)21)22(29)23-12-11-1 9-24-18(14-27(19)3)16-8-5 -4-6-9-16/h4-10,13-15H,11 -12H2,1-3H3,(H,23,29); CQOQVKFNKUQNCP-UHFFFAOYSA-N |
Cn1cc(nc1CCNC(=O)c1cccn2c1nnc2C(C)C)c1cc ccc1; CC(C)c1nnc2n1cccc2C(=O)NCCc3nc(cn3 C)c4ccccc4 |
(4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| 30307 |  JYM CHEMBL3110222 ZINC000095920870 |
2 | C13 H16 F3 N5 O | InChI=1S/C13H16F3N5O/c14- 13(15,16)11-18-8-9(19-11) 20-12(17)21-10(8)22-6-7-4 -2-1-3-5-7/h7H,1-6H2,(H3, 17,18,19,20,21); DMTNMDIKSMRUDA-UHFFFAOYSA-N |
C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n 2)N; Nc1nc2[nH]c(nc2c(OCC3CCCCC3)n1)C(F) (F)F; FC(F)(F)c3nc2c(nc(nc2OCC1CCCCC1)N) n3 |
6-(cyclohexylmethoxy)-8-(trifluoromethyl)-9H-purin-2-amine |
| 30308 |  JYN |
1 | C9 H12 N8 | InChI=1S/C9H12N8/c10-8-7- 9(13-5-12-8)17(6-14-7)4-2 -1-3-15-16-11/h5-6H,1-4H2 ,(H2,10,12,13); HVEKFLZTZQALAB-UHFFFAOYSA-N |
c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N; Nc1 ncnc2n(CCCCN=[N+]=[N-])cnc12 |
9-(4-azidobutyl)purin-6-amine |
| 30309 |  JYO CHEMBL3981107 |
1 | C22 H20 F3 N3 O2 | InChI=1S/C22H20F3N3O2/c23 -22(24,25)30-17-8-4-7-15( 11-17)18-12-19-21(29)27-1 3-16(9-10-26)28(19)20(18) 14-5-2-1-3-6-14/h1-8,11-1 2,16H,9-10,13,26H2,(H,27, 29)/t16-/m0/s1; WTGCKCDNZFLRCX-INIZCTEOSA-N |
c1ccc(cc1)c2c(cc3n2[C@H](CN=C3O)CCN)c4cc cc(c4)OC(F)(F)F; NCC[C@H]1CN=C(O)c2cc(c3 cccc(OC(F)(F)F)c3)c(n12)c4ccccc4; c1ccc( cc1)c2c(cc3n2C(CN=C3O)CCN)c4cccc(c4)OC(F )(F)F; NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)( F)F)c3)c(n12)c4ccccc4 |
(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol |
| 30310 |  JYP |
4 | C16 H26 N5 O18 P3 | InChI=1S/C16H26N5O18P3/c1 7-13-7-14(19-3-18-13)21(4 -20-7)15-12(39-42(31,32)3 3)9(5(1-22)34-15)36-16-8( 24)11(38-41(28,29)30)10(6 (2-23)35-16)37-40(25,26)2 7/h3-6,8-12,15-16,22-24H, 1-2H2,(H2,17,18,19)(H2,25 ,26,27)(H2,28,29,30)(H2,3 1,32,33)/t5-,6+,8+,9+,10+ ,11-,12-,15-,16-/m1/s1; RENVITLQVBEFDT-YFPOSXHWSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@ H](O3)CO)O[C@@H]4[C@H]([C@H]([C@H]([C@@H ](O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O )O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH] (O[CH]4O[CH](CO)[CH](O[P](O)(O)=O)[CH](O [P](O)(O)=O)[CH]4O)[CH]3O[P](O)(O)=O; Nc 1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H](O[C @H]4O[C@@H](CO)[C@H](O[P](O)(O)=O)[C@H]( O[P](O)(O)=O)[C@@H]4O)[C@H]3O[P](O)(O)=O ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)OC4C(C (C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O )(O)O)N |
Adenophostin A; [(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxy-oxolan-3-yl] dihydrogen phosphate |
| 30311 |  JYQ ZINC000219016733 |
1 | C11 H15 N5 O S | InChI=1S/C11H15N5OS/c1-8( 17)18-5-3-2-4-16-7-15-9-1 0(12)13-6-14-11(9)16/h6-7 H,2-5H2,1H3,(H2,12,13,14); MLUWWHOQAYWORL-UHFFFAOYSA-N |
CC(=O)SCCCCn1cnc2c(N)ncnc12; CC(=O)SCCCC n1cnc2c1ncnc2N |
~{S}-[4-(6-aminopurin-9-yl)butyl] ethanethioate |
| 30312 |  JYR ZINC000034475824 |
1 | C10 H7 N O5 S | InChI=1S/C10H7NO5S/c1-16- 10(13)9-8(12)6-4-5(11(14) 15)2-3-7(6)17-9/h2-4,12H, 1H3; GYYAQCMJASDSIH-UHFFFAOYSA-N |
COC(=O)c1sc2ccc(cc2c1O)[N+]([O-])=O; COC (=O)c1c(c2cc(ccc2s1)[N+](=O)[O-])O |
methyl 3-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1-benzothiophene-2-carboxylate |
| 30313 |  JYS CHEMBL524048 ZINC000003591429 |
2 | C21 H17 Br F N3 O3 | InChI=1S/C21H17BrFN3O3/c2 2-15-6-7-16(23)18-17(15)1 4(12-24-18)19(27)21(29)26 -10-8-25(9-11-26)20(28)13 -4-2-1-3-5-13/h1-7,12,24H ,8-11H2; FHPUNKHJTFLQMK-UHFFFAOYSA-N |
c1cc(c2c(c1F)ncc2C(=O)C(N3CCN(CC3)C(=O)c 4ccccc4)=O)Br; c1ccc(cc1)C(=O)N2CCN(CC2) C(=O)C(=O)c3c[nH]c4c3c(ccc4F)Br; Fc1ccc( Br)c2c1[nH]cc2C(=O)C(=O)N3CCN(CC3)C(=O)c 4ccccc4 |
1-[4-(benzenecarbonyl)piperazin-1-yl]-2-(4-bromo-7-fluoro-1H-indol-3-yl)ethane-1,2-dione |
| 30314 |  JYT CHEMBL475455 ZINC000040914316 |
1 | C8 H10 Br N5 O | InChI=1S/C8H10BrN5O/c9-8- 13-5-6(10)11-4-12-7(5)14( 8)2-1-3-15/h4,15H,1-3H2,( H2,10,11,12); MUZYIFHIQGFDMZ-UHFFFAOYSA-N |
c1nc(c2c(n1)n(c(n2)Br)CCCO)N; Nc1ncnc2n( CCCO)c(Br)nc12 |
3-(6-azanyl-8-bromanyl-purin-9-yl)propan-1-ol |
| 30315 |  JYU |
4 | C26 H26 N6 O2 S | InChI=1S/C26H26N6O2S/c1-1 7-14-22(32(29-17)26(2,3)4 )28-24(33)21-15-19-20(16- 34-23-12-8-9-13-27-23)30- 31(25(19)35-21)18-10-6-5- 7-11-18/h5-15H,16H2,1-4H3 ,(H,28,33); LSJMZKRQOHLGQC-UHFFFAOYSA-N |
CC(C)(C)n1nc(C)cc1NC(=O)c1cc2c(nn(c3cccc c3)c2s1)COc1ccccn1; Cc1cc(NC(=O)c2sc3n(n c(COc4ccccn4)c3c2)c5ccccc5)n(n1)C(C)(C)C ; Cc1cc(n(n1)C(C)(C)C)NC(=O)c2cc3c(nn(c3 s2)c4ccccc4)COc5ccccn5 |
N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide |
| 30316 |  JYV CHEMBL5171580 |
1 | C33 H39 N7 O3 S | InChI=1S/C33H39N7O3S/c1-3 8(2)13-8-14-39(3)20-28-37 -26(21-44-28)30-31-29(27( 43-4)19-36-30)25(18-35-31 )32(41)33(42)40-15-11-23( 12-16-40)24(17-34)22-9-6- 5-7-10-22/h5-7,9-10,18-19 ,21,23-24,35H,8,11-16,20H 2,1-4H3/t24-/m0/s1; SZUBSUMMJMHMJF-DEOSSOPVSA-N |
COc1cnc(c2csc(CN(C)CCCN(C)C)n2)c3[nH]cc( C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccccc5) c13; COc1cnc(c2csc(CN(C)CCCN(C)C)n2)c3[n H]cc(C(=O)C(=O)N4CCC(CC4)[CH](C#N)c5cccc c5)c13; CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[ nH]3)C(=O)C(=O)N4CCC(CC4)C(C#N)c5ccccc5) c(cn2)OC; C1CC(CCN1C(C(c4c3c(c(c2csc(CN( CCCN(C)C)C)n2)ncc3OC)nc4)=O)=O)C(c5ccccc 5)C#N; CN(C)CCCN(C)Cc1nc(cs1)c2c3c(c(c[n H]3)C(=O)C(=O)N4CCC(CC4)[C@@H](C#N)c5ccc cc5)c(cn2)OC |
(2R)-{1-[{7-[2-({[3-(dimethylamino)propyl](methyl)amino}methyl)-1,3-thiazol-4-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl}(oxo)acetyl]piperidin-4-yl}(phenyl)acetonitrile |
| 30317 |  JYW |
1 | C9 H12 Br N5 O | InChI=1S/C9H12BrN5O/c10-9 -14-6-7(11)12-5-13-8(6)15 (9)3-1-2-4-16/h5,16H,1-4H 2,(H2,11,12,13); XPHFIISDJKTZOQ-UHFFFAOYSA-N |
c1nc(c2c(n1)n(c(n2)Br)CCCCO)N; Nc1ncnc2n (CCCCO)c(Br)nc12 |
4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol |
| 30318 |  JYX CHEMBL5194111 ZINC000082583534 |
1 | C8 H10 N4 | InChI=1S/C8H10N4/c1-2-12- 7-6(11-8(12)9)4-3-5-10-7/ h3-5H,2H2,1H3,(H2,9,11); XJMMDEAXMWKQMW-UHFFFAOYSA-N |
CCn1c2c(cccn2)nc1N; CCn1c(N)nc2cccnc12 | 3-ethylimidazo[4,5-b]pyridin-2-amine |
| 30319 |  JYY |
1 | C29 H28 N6 O5 S | InChI=1S/C29H28N6O5S/c1-4 0-22-15-33-24(21-16-41-28 (34-21)27(38)31-9-12-36)2 5-23(22)20(14-32-25)26(37 )29(39)35-10-7-18(8-11-35 )19(13-30)17-5-3-2-4-6-17 /h2-6,14-16,18-19,32,36H, 7-12H2,1H3,(H,31,38)/t19- /m0/s1; IVWFZQGHUWBXDU-IBGZPJMESA-N |
C4(CCN(C(C(c3c2c(c(c1csc(C(NCCO)=O)n1)nc c2OC)nc3)=O)=O)CC4)C(c5ccccc5)C#N; COc1c nc(c2[nH]cc(C(=O)C(=O)N3CCC(CC3)[C@@H](C #N)c4ccccc4)c12)c5csc(n5)C(=O)NCCO; COc1 cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C #N)c4ccccc4)c5csc(n5)C(=O)NCCO; COc1cnc( c2[nH]cc(C(=O)C(=O)N3CCC(CC3)[CH](C#N)c4 ccccc4)c12)c5csc(n5)C(=O)NCCO |
4-{3-[{4-[(R)-cyano(phenyl)methyl]piperidin-1-yl}(oxo)acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-N-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide |
| 30320 |  JYZ CHEMBL4776391 ZINC000000141749 |
1 | C17 H14 N2 O4 | InChI=1S/C17H14N2O4/c1-23 -16-9-11(6-7-15(16)21)8-1 2(10-18)17(22)19-13-4-2-3 -5-14(13)20/h2-9,20-21H,1 H3,(H,19,22)/b12-8+; UJFGQFJVAPMCHZ-XYOKQWHBSA-N |
COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2ccccc2O; COc1cc(ccc1O)C=C(C#N)C(=O)Nc2ccccc2O; C Oc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2ccccc2O |
(~{E})-2-cyano-~{N}-(2-hydroxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
| 30321 |  JZ0 CHEMBL46931 ZINC000000901022 |
6 | C7 H8 O | InChI=1S/C7H8O/c1-6-4-2-3 -5-7(6)8/h2-5,8H,1H3; QWVGKYWNOKOFNN-UHFFFAOYSA-N |
Cc1ccccc1O | o-cresol; ortho-cresol,2-methylphenol |
| 30322 |  JZ1 CHEMBL321029 ZINC000001706027 |
1 | C8 H10 O | InChI=1S/C8H10O/c1-2-7-5- 3-4-6-8(7)9/h3-6,9H,2H2,1 H3; IXQGCWUGDFDQMF-UHFFFAOYSA-N |
CCc1ccccc1O | 2-ethylphenol |
| 30323 |  JZ2 ZINC000000158233 |
1 | C7 H7 Cl O | InChI=1S/C7H7ClO/c1-5-2-3 -6(8)4-7(5)9/h2-4,9H,1H3; KKFPXGXMSBBNJI-UHFFFAOYSA-N |
Cc1ccc(Cl)cc1O; Clc1cc(O)c(cc1)C; Cc1ccc (cc1O)Cl |
5-chloro-2-methylphenol |
| 30324 |  JZ3 CHEMBL13766 DB11359 ZINC000013512224 |
25 | C7 H8 O2 | InChI=1S/C7H8O2/c1-9-7-5- 3-2-4-6(7)8/h2-5,8H,1H3; LHGVFZTZFXWLCP-UHFFFAOYSA-N |
COc1ccccc1O; Oc1ccccc1OC | Guaiacol; 2-methoxyphenol |
| 30325 |  JZ4 CHEMBL225569 ZINC000001692499 |
1 | C9 H12 O | InChI=1S/C9H12O/c1-2-5-8- 6-3-4-7-9(8)10/h3-4,6-7,1 0H,2,5H2,1H3; LCHYEKKJCUJAKN-UHFFFAOYSA-N |
CCCc1ccccc1O | 2-propylphenol |
| 30326 |  JZ5 ZINC000100035990 |
1 | C5 H5 N O S | InChI=1S/C5H5NOS/c7-6-4-5 -2-1-3-8-5/h1-4,7H/b6-4-; GASLBPLHYRZLLT-XQRVVYSFSA-N |
O\N=C/c1sccc1; c1cc(sc1)/C=N\O; ON=Cc1sc cc1; c1cc(sc1)C=NO |
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine; (Z)-thiophene-2-carboxaldoxime |
| 30327 |  JZ6 CHEMBL1233776 ZINC000001049758 |
2 | C3 H3 Cl N2 | InChI=1S/C3H3ClN2/c4-3-1- 5-6-2-3/h1-2H,(H,5,6); BADSZRMNXWLUKO-UHFFFAOYSA-N |
c1c(cn[nH]1)Cl; Clc1c[nH]nc1 | 4-chloro-1H-pyrazole |
| 30328 |  JZ7 ZINC000003875718 |
1 | C7 H12 O2 | InChI=1S/C7H12O2/c1-2-8-7 -5-3-4-6-9-7/h4,6-7H,2-3, 5H2,1H3/t7-/m0/s1; VZJFPIXCMVSTID-ZETCQYMHSA-N |
CCOC1CCC=CO1; CCO[CH]1CCC=CO1; CCO[C@@H] 1CCC=CO1 |
(2S)-2-ethoxy-3,4-dihydro-2H-pyran |
| 30329 |  JZ8 |
2 | C16 H15 N5 | InChI=1S/C16H13N5/c1-11-8 -15(21-16(19-11)17-10-18- 21)20-14-7-6-12-4-2-3-5-1 3(12)9-14/h2-10H,1H3,(H,1 7,18,19,20)/p+2; GNJXIZOPHGMAQW-UHFFFAOYSA-P |
n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C ; Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccc cc4c3; Cc1cc(Nc2ccc3ccccc3c2)[n+]4[nH]c[ nH+]c4n1 |
5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium |
| 30330 |  JZ9 ZINC000004521854 |
1 | C8 H11 N | InChI=1S/C8H11N/c1-2-4-8- 7(3-1)5-6-9-8/h5-6,9H,1-4 H2; KQBVVLOYXDVATK-UHFFFAOYSA-N |
c1c[nH]c2c1CCCC2; C1CCc2cc[nH]c2C1 | 4,5,6,7-tetrahydro-1H-indole |
| 30331 |  JZA ZINC000058649754 |
2 | C7 H12 N2 O4 S | InChI=1S/C7H12N2O4S/c10-7 (8-1-4-13-5-2-8)9-3-6-14( 9,11)12/h1-6H2; FLIYHWNBIOGIBH-UHFFFAOYSA-N |
C1COCCN1C(=O)N2CCS2(=O)=O; O=C(N1CCOCC1) N2CCS2(=O)=O; O=C(N1CCOCC1)N2CC[S]2(=O)= O |
4-[(1,1-dioxido-1,2-thiazetidin-2-yl)carbonyl]morpholine; beta-sultam |
| 30332 |  JZB CHEMBL564932 ZINC000101847308 |
1 | C24 H29 Cl N2 O6 | InChI=1S/C24H29ClN2O6/c25 -23-18-14-17(26-33-16-21( 30)27-11-7-5-8-12-27)10-6 -3-1-2-4-9-13-32-24(31)22 (18)19(28)15-20(23)29/h2, 4,6,10,15,28-29H,1,3,5,7- 9,11-14,16H2/b4-2+,10-6+, 26-17-; XNRNAVTUUGISQH-VCKBHWIVSA-N |
c1c(c2c(c(c1O)Cl)CC(=NOCC(=O)N3CCCCC3)C= CCCC=CCCOC2=O)O; O=C2OCCC=CCCC=C\C(=N\OC C(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl; c1c(c2 c(c(c1O)Cl)C/C(=N\OCC(=O)N3CCCCC3)/C=C/C C/C=C/CCOC2=O)O; Oc1cc(O)c2C(=O)OCCC=CCC C=CC(Cc2c1Cl)=NOCC(=O)N3CCCCC3; Oc1cc(O) c2C(=O)OCC\C=C\CC/C=C/C(Cc2c1Cl)=N/OCC(= O)N3CCCCC3 |
(5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] |
| 30333 |  JZC CHEMBL564698 ZINC000043121571 |
1 | C24 H30 N2 O6 | InChI=1S/C24H30N2O6/c27-2 0-15-18-14-19(25-32-17-22 (29)26-11-7-5-8-12-26)10- 6-3-1-2-4-9-13-31-24(30)2 3(18)21(28)16-20/h2,4,6,1 0,15-16,27-28H,1,3,5,7-9, 11-14,17H2/b4-2+,10-6+,25 -19-; NHVOTZLAUSUFLW-LUHBRQSQSA-N |
c1c(cc(c2c1CC(=NOCC(=O)N3CCCCC3)C=CCCC=C CCOC2=O)O)O; Oc1cc(O)c2C(=O)OCC\C=C\CC/C =C/C(Cc2c1)=N/OCC(=O)N3CCCCC3; c1c(cc(c2 c1C/C(=N\OCC(=O)N3CCCCC3)/C=C/CC/C=C/CCO C2=O)O)O; Oc1cc(O)c2C(=O)OCCC=CCCC=CC(Cc 2c1)=NOCC(=O)N3CCCCC3; O=C2OCCC=CCCC=C\C (=N\OCC(=O)N1CCCCC1)Cc3cc(O)cc(O)c23 |
(5E,9E,11E)-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] |
| 30334 |  JZD ZINC000098209059 |
4 | C37 H38 Cl4 N2 O6 | InChI=1S/C37H38Cl4N2O6/c3 8-28-20-24(42-32-16-10-8- 14-26(32)36(44)45)21-29(3 9)34(28)48-18-12-6-4-2-1- 3-5-7-13-19-49-35-30(40)2 2-25(23-31(35)41)43-33-17 -11-9-15-27(33)37(46)47/h 8-11,14-17,20-23,42-43H,1 -7,12-13,18-19H2,(H,44,45 )(H,46,47); GZMGFINVSIBSLS-UHFFFAOYSA-N |
Clc3cc(cc(Cl)c3OCCCCCCCCCCCOc2c(Cl)cc(Nc 1ccccc1C(=O)O)cc2Cl)Nc4ccccc4C(=O)O; c1c cc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCC CCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl; OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCCCCCOc3 c(Cl)cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2 |
2,2'-{undecane-1,11-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid |
| 30335 |  JZE CHEMBL1233782 ZINC000058649755 |
2 | C33 H30 Cl4 N2 O6 | InChI=1S/C33H30Cl4N2O6/c3 4-24-16-20(38-28-12-6-4-1 0-22(28)32(40)41)17-25(35 )30(24)44-14-8-2-1-3-9-15 -45-31-26(36)18-21(19-27( 31)37)39-29-13-7-5-11-23( 29)33(42)43/h4-7,10-13,16 -19,38-39H,1-3,8-9,14-15H 2,(H,40,41)(H,42,43); PVJQFPTYHVNSAO-UHFFFAOYSA-N |
OC(=O)c1ccccc1Nc2cc(Cl)c(OCCCCCCCOc3c(Cl )cc(Nc4ccccc4C(O)=O)cc3Cl)c(Cl)c2; c1ccc (c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3 c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl; Clc3cc (cc(Cl)c3OCCCCCCCOc2c(Cl)cc(Nc1ccccc1C(= O)O)cc2Cl)Nc4ccccc4C(=O)O |
2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid |
| 30336 |  JZF CHEMBL333448 |
1 | C19 H29 N O6 | InChI=1S/C19H29NO6/c1-4-2 6-18(24)10-20-16(22)8-13( 9-17(20)23)7-15(21)14-6-1 1(2)5-12(3)19(14)25/h11-1 5,21H,4-10H2,1-3H3/t11-,1 2-,14-,15+/m0/s1; KWCVNASRVVSXHH-NZBPQXDJSA-N |
CCOC(=O)CN1C(=O)CC(C[C@@H](O)[C@@H]2C[C@ @H](C)C[C@H](C)C2=O)CC1=O; CCOC(=O)CN1C( =O)CC(CC1=O)CC(C2CC(CC(C2=O)C)C)O; CCOC( =O)CN1C(=O)CC(CC1=O)C[C@H]([C@@H]2C[C@H] (C[C@@H](C2=O)C)C)O; CCOC(=O)CN1C(=O)CC( C[CH](O)[CH]2C[CH](C)C[CH](C)C2=O)CC1=O; O=C1C(C)CC(C)CC1C(O)CC2CC(=O)N(C(=O)C2) CC(=O)OCC |
ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}-2,6-dioxopiperidin-1-yl)acetate |
| 30337 |  JZG CHEMBL590043 |
1 | C33 H27 N5 O4 | InChI=1S/C33H27N5O4/c1-37 -28-19-29(39)26(33(41)42) 18-25(28)31(32(37)23-10-6 -3-7-11-23)27-20-38(36-35 -27)17-16-30(40)34-24-14- 12-22(13-15-24)21-8-4-2-5 -9-21/h2-15,18-20,39H,16- 17H2,1H3,(H,34,40)(H,41,4 2); RATFAFAWIWHLMR-UHFFFAOYSA-N |
O=C(Nc2ccc(c1ccccc1)cc2)CCn3nnc(c3)c6c4c c(C(=O)O)c(O)cc4n(c6c5ccccc5)C; Cn1c2cc( O)c(cc2c(c3cn(CCC(=O)Nc4ccc(cc4)c5ccccc5 )nn3)c1c6ccccc6)C(O)=O; Cn1c2cc(c(cc2c(c 1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6c cccc6)C(=O)O)O |
3-{1-[3-(biphenyl-4-ylamino)-3-oxopropyl]-1H-1,2,3-triazol-4-yl}-6-hydroxy-1-methyl-2-phenyl-1H-indole-5-carboxylic acid |
| 30338 |  JZH ZINC000043196199 |
1 | C21 H15 N3 O2 | InChI=1S/C21H15N3O2/c25-1 3-7-5-12(6-8-13)18-16-11- 23-20-19(16)15(9-10-22-20 )14-3-1-2-4-17(14)24-21(1 8)26/h1-11,18,25H,(H,22,2 3)(H,24,26)/t18-/m0/s1; LGIBDQRYOFBMTC-SFHVURJKSA-N |
Oc1ccc(cc1)[CH]2C(=O)Nc3ccccc3c4ccnc5[nH ]cc2c45; c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[ C@@H](C(=O)N2)c5ccc(cc5)O; c1ccc2c(c1)-c 3ccnc4c3c(c[nH]4)C(C(=O)N2)c5ccc(cc5)O; Oc1ccc(cc1)[C@@H]2C(=O)Nc3ccccc3c4ccnc5[ nH]cc2c45; O=C5Nc1ccccc1c2c3c(ncc2)ncc3C 5c4ccc(O)cc4 |
(3S)-3-(4-hydroxyphenyl)-1,5-dihydro-1,5,12-triazabenzo[4,5]cycloocta[1,2,3-cd]inden-4(3H)-one |
| 30339 |  JZI CHEMBL1090714 ZINC000044717227 |
2 | C22 H19 N O3 | InChI=1S/C22H19NO3/c24-21 (19-14-13-17-10-4-5-11-18 (17)15-19)23-20(22(25)26) 12-6-9-16-7-2-1-3-8-16/h1 -11,13-15,20H,12H2,(H,23, 24)(H,25,26)/b9-6+/t20-/m 1/s1; OOTIJYFZZMIZHN-AQDCRGGLSA-N |
c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc 3ccccc3c2; OC(=O)[C@@H](C/C=C/c1ccccc1)N C(=O)c2ccc3ccccc3c2; O=C(O)C(NC(=O)c2ccc 1c(cccc1)c2)C\C=C\c3ccccc3; c1ccc(cc1)C= CCC(C(=O)O)NC(=O)c2ccc3ccccc3c2; OC(=O)[ CH](CC=Cc1ccccc1)NC(=O)c2ccc3ccccc3c2 |
(2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid |
| 30340 |  JZJ CHEMBL1233784 ZINC000058649758 |
1 | C18 H16 Br N3 | InChI=1S/C18H16BrN3/c19-1 5-7-5-12(6-8-15)17-11-21- 18(22-17)16-9-13-3-1-2-4- 14(13)10-20-16/h1-8,11,16 ,20H,9-10H2,(H,21,22)/t16 -/m0/s1; ZBOUSWQJXIKQSX-INIZCTEOSA-N |
Brc1ccc(cc1)c2c[nH]c(n2)[C@@H]3Cc4ccccc4 CN3; c1ccc2c(c1)CC(NC2)c3[nH]cc(n3)c4ccc (cc4)Br; Brc1ccc(cc1)c2nc(nc2)C4NCc3cccc c3C4; c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3) c4ccc(cc4)Br; Brc1ccc(cc1)c2c[nH]c(n2)[C H]3Cc4ccccc4CN3 |
(3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline |
| 30341 |  JZK CHEMBL1086880 ZINC000049089365 |
1 | C22 H25 Cl N4 O | InChI=1S/C22H25ClN4O/c23- 18-9-5-4-8-17(18)13-25-22 -26-19-12-16(21(24)28)10- 11-20(19)27(22)14-15-6-2- 1-3-7-15/h4-5,8-12,15H,1- 3,6-7,13-14H2,(H2,24,28)( H,25,26); DGENNQRBHYDWGG-UHFFFAOYSA-N |
c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(= O)N)Cl; NC(=O)c1ccc2n(CC3CCCCC3)c(NCc4cc ccc4Cl)nc2c1; Clc1ccccc1CNc3nc2cc(ccc2n3 CC4CCCCC4)C(=O)N |
2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide |
| 30342 |  JZL ZINC000051047944 |
2 | C23 H28 Cl N5 O2 | InChI=1S/C23H28ClN5O2/c24 -17-8-5-4-6-14(17)12-27-2 3-28-19-11-16(22(26)31)10 -18(25)21(19)29(23)13-15- 7-2-1-3-9-20(15)30/h4-6,8 ,10-11,15,20,30H,1-3,7,9, 12-13,25H2,(H2,26,31)(H,2 7,28)/t15-,20-/m0/s1; AQAQDMCJHAROPH-YWZLYKJASA-N |
c1ccc(c(c1)CNc2nc3cc(cc(c3n2CC4CCCCCC4O) N)C(=O)N)Cl; c1ccc(c(c1)CNc2nc3cc(cc(c3n 2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl; Clc1 ccccc1CNc3nc2cc(cc(c2n3CC4CCCCCC4O)N)C(= O)N; NC(=O)c1cc(N)c2n(C[C@@H]3CCCCC[C@@H ]3O)c(NCc4ccccc4Cl)nc2c1; NC(=O)c1cc(N)c 2n(C[CH]3CCCCC[CH]3O)c(NCc4ccccc4Cl)nc2c 1 |
7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide |
| 30343 |  JZM CHEMBL310759 |
1 | C14 H11 Cl N4 S | InChI=1S/C14H11ClN4S/c15- 8-4-6-9(7-5-8)20-11-3-1-2 -10-12(11)13(16)19-14(17) 18-10/h1-7H,(H4,16,17,18, 19); AVRPDIOCAAWICH-UHFFFAOYSA-N |
c1cc2c(c(c1)Sc3ccc(cc3)Cl)c(nc(n2)N)N; C lc3ccc(Sc2c1c(nc(nc1N)N)ccc2)cc3; Nc1nc( N)c2c(Sc3ccc(Cl)cc3)cccc2n1 |
5-[(4-chlorophenyl)sulfanyl]quinazoline-2,4-diamine |
| 30344 |  JZN CHEMBL1233786 ZINC000044718952 |
3 | C34 H37 F4 N5 O4 | InChI=1S/C34H37F4N5O4/c1- 20-13-26(40-19-33(46,34(3 6,37)38)18-32(2,3)25-16-2 2(35)10-11-29(25)47-4)24- 17-41-43(28(24)14-20)23-8 -5-7-21(15-23)31(45)42-12 -6-9-27(42)30(39)44/h5,7- 8,10-11,13-17,27,40,46H,6 ,9,12,18-19H2,1-4H3,(H2,3 9,44)/t27-,33-/m1/s1; AKJCJJOQRAGWOW-ZORMNXRFSA-N |
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc2cc(C)c c3n(ncc23)c4cccc(c4)C(=O)N5CCC[C@@H]5C(N )=O)C(F)(F)F; Fc1cc(c(OC)cc1)C(C)(C)CC(O )(C(F)(F)F)CNc2cc(cc3c2cnn3c5cc(C(=O)N4C (C(=O)N)CCC4)ccc5)C; Cc1cc(c2cnn(c2c1)c3 cccc(c3)C(=O)N4CCC[C@@H]4C(=O)N)NC[C@](C C(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O; Cc1cc( c2cnn(c2c1)c3cccc(c3)C(=O)N4CCCC4C(=O)N) NCC(CC(C)(C)c5cc(ccc5OC)F)(C(F)(F)F)O; C Oc1ccc(F)cc1C(C)(C)C[C](O)(CNc2cc(C)cc3n (ncc23)c4cccc(c4)C(=O)N5CCC[CH]5C(N)=O)C (F)(F)F |
1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide |
| 30345 |  JZO CHEMBL606919 ZINC000044460338 |
5 | C21 H20 N4 O2 | InChI=1S/C21H20N4O2/c1-24 -20(16-7-8-17-18(12-16)23 -10-9-22-17)19(21(26)25(2 4)2)15-6-4-5-14(11-15)13- 27-3/h4-12H,13H2,1-3H3; OWJLLMXRMBEWIM-UHFFFAOYSA-N |
COCc1cccc(c1)C2=C(N(C)N(C)C2=O)c3ccc4ncc nc4c3; O=C3C(=C(c1ccc2nccnc2c1)N(N3C)C)c 4cccc(c4)COC; CN1C(=C(C(=O)N1C)c2cccc(c2 )COC)c3ccc4c(c3)nccn4 |
4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-1,2-dihydro-3H-pyrazol-3-one |
| 30346 |  JZP CHEMBL510300 ZINC000049899614 |
2 | C33 H35 Cl2 N3 O6 S | InChI=1S/C33H35Cl2N3O6S/c 1-33(2)30(31(42)37-27-21- 12-7-6-11-20(21)16-25(27) 39)38(18-45-33)32(43)28(4 1)24(15-19-9-4-3-5-10-19) 36-26(40)17-44-29-22(34)1 3-8-14-23(29)35/h3-14,24- 25,27-28,30,39,41H,15-18H 2,1-2H3,(H,36,40)(H,37,42 )/t24-,25+,27-,28-,30+/m0 /s1; XMAMZSZKRBFNLW-UPZHSWQNSA-N |
CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2cccc c2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4 c5ccccc5C[C@H]4O)C; O=C(NC2c1ccccc1CC2O) C5N(C(=O)C(O)C(NC(=O)COc3c(Cl)cccc3Cl)Cc 4ccccc4)CSC5(C)C; CC1(C(N(CS1)C(=O)C(C(C c2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N C4c5ccccc5CC4O)C; CC1(C)SCN([CH]1C(=O)N[ CH]2[CH](O)Cc3ccccc23)C(=O)[CH](O)[CH](C c4ccccc4)NC(=O)COc5c(Cl)cccc5Cl; CC1(C)S CN([C@@H]1C(=O)N[C@@H]2[C@H](O)Cc3ccccc2 3)C(=O)[C@@H](O)[C@H](Cc4ccccc4)NC(=O)CO c5c(Cl)cccc5Cl |
(4R)-3-[(2S,3S)-3-{[(2,6-dichlorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide; KNI-10074 |
| 30347 |  JZQ CHEMBL509191 ZINC000049899605 |
2 | C33 H35 F2 N3 O6 S | InChI=1S/C33H35F2N3O6S/c1 -33(2)30(31(42)37-27-21-1 2-7-6-11-20(21)16-25(27)3 9)38(18-45-33)32(43)28(41 )24(15-19-9-4-3-5-10-19)3 6-26(40)17-44-29-22(34)13 -8-14-23(29)35/h3-14,24-2 5,27-28,30,39,41H,15-18H2 ,1-2H3,(H,36,40)(H,37,42) /t24-,25+,27-,28-,30+/m0/ s1; KCNWMHBIZSWXTB-UPZHSWQNSA-N |
CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2cccc c2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5 ccccc5C[C@H]4O)C; O=C(NC2c1ccccc1CC2O)C5 N(C(=O)C(O)C(NC(=O)COc3c(F)cccc3F)Cc4ccc cc4)CSC5(C)C; CC1(C)SCN([C@@H]1C(=O)N[C@ @H]2[C@H](O)Cc3ccccc23)C(=O)[C@@H](O)[C@ H](Cc4ccccc4)NC(=O)COc5c(F)cccc5F; CC1(C )SCN([CH]1C(=O)N[CH]2[CH](O)Cc3ccccc23)C (=O)[CH](O)[CH](Cc4ccccc4)NC(=O)COc5c(F) cccc5F; CC1(C(N(CS1)C(=O)C(C(Cc2ccccc2)N C(=O)COc3c(cccc3F)F)O)C(=O)NC4c5ccccc5CC 4O)C |
(4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H- inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide; KNI-10265 |
| 30348 |  JZR ZINC000004521560 |
33 | C12 H24 O6 | InChI=1S/C12H24O6/c1-2-3- 4-5-6-17-12-11(16)10(15)9 (14)8(7-13)18-12/h8-16H,2 -7H2,1H3/t8-,9-,10+,11-,1 2-/m1/s1; JVAZJLFFSJARQM-RMPHRYRLSA-N |
CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O 1)CO)O)O)O; CCCCCCOC1C(C(C(C(O1)CO)O)O)O ; CCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H] (O)[C@H]1O; CCCCCCO[CH]1O[CH](CO)[CH](O) [CH](O)[CH]1O |
hexyl beta-D-glucopyranoside; hexyl beta-D-glucoside; hexyl D-glucoside; hexyl glucoside |
| 30349 |  JZS ZINC000058649742 |
2 | C22 H21 F6 N5 O3 | InChI=1S/C22H21F6N5O3/c1- 11-6-16(30-10-20(36,21(23 ,24)25)22(26,27)28)15-9-3 1-33(17(15)7-11)14-5-3-4- 13(8-14)19(35)32-12(2)18( 29)34/h3-9,12,30,36H,10H2 ,1-2H3,(H2,29,34)(H,32,35 )/t12-/m1/s1; SDBGIXABAWIVLY-GFCCVEGCSA-N |
Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C )C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O; Cc1cc( c2cnn(c2c1)c3cccc(c3)C(=O)NC(C)C(=O)N)NC C(C(F)(F)F)(C(F)(F)F)O; C[CH](NC(=O)c1cc cc(c1)n2ncc3c(NCC(O)(C(F)(F)F)C(F)(F)F)c c(C)cc23)C(N)=O; C[C@@H](NC(=O)c1cccc(c1 )n2ncc3c(NCC(O)(C(F)(F)F)C(F)(F)F)cc(C)c c23)C(N)=O |
N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide |
| 30350 |  JZT ZINC000058649759 |
1 | C39 H64 N6 O7 | InChI=1S/C39H64N6O7/c1-9- 19-40-34(50)32(48)25-17-1 5-13-11-10-12-14-16-18-26 (35(51)45-22-24-30(39(24, 7)8)31(45)33(49)41-25)42- 36(52)43-27(37(2,3)4)23-4 4-28(46)20-38(5,6)21-29(4 4)47/h9,24-27,30-32,48H,1 ,10-23H2,2-8H3,(H,40,50)( H,41,49)(H2,42,43,52)/t24 -,25-,26-,27+,30-,31-,32+ /m0/s1; OCBUWZICDFQHBN-MHXQYHMZSA-N |
CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O )N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH ](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C; CC1( CC(=O)N(C(=O)C1)CC(C(C)(C)C)NC(=O)NC2CCC CCCCCCC(NC(=O)C3C4C(C4(C)C)CN3C2=O)C(C(= O)NCC=C)O)C; CC1(CC(=O)N(C(=O)C1)C[C@H]( C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC( =O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[ C@H](C(=O)NCC=C)O)C; CC(C)(C)[C@@H](CN1C (=O)CC(C)(C)CC1=O)NC(=O)N[C@H]2CCCCCCCCC [C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O) C4(C)C)[C@@H](O)C(=O)NCC=C |
(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide |
| 30351 |  JZU ZINC000058639144 |
3 | C10 H15 N7 O5 S | InChI=1S/C10H15N7O5S/c11- 8-5-9(14-2-13-8)17(3-15-5 )10-7(19)6(18)4(22-10)1-1 6-23(12,20)21/h2-4,6-7,10 ,16,18-19H,1H2,(H2,11,13, 14)(H2,12,20,21)/t4-,6-,7 -,10-/m1/s1; RCHUICYCIUKUIY-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)= O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3 O[C@H](CN[S](N)(=O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS(=O)(=O) N)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]( [C@@H]([C@H](O3)CNS(=O)(=O)N)O)O)N |
5'-deoxy-5'-(sulfamoylamino)adenosine |
| 30352 |  JZV |
2 | C20 H19 F3 N2 O4 | InChI=1S/C20H19F3N2O4/c1- 13(14-8-6-9-16(11-14)20(2 1,22)23)24-29-12-15-7-4-5 -10-17(15)18(25-28-3)19(2 6)27-2/h4-11H,12H2,1-3H3/ b24-13-,25-18+; ONCZDRURRATYFI-KEEMFBDKSA-N |
CON=C(C(=O)OC)c1ccccc1CON=C(C)c2cccc(c2) C(F)(F)F; C/C(=N/OCc1ccccc1/C(=N\OC)/C(= O)OC)/c2cccc(c2)C(F)(F)F; CC(=NOCc1ccccc 1C(=NOC)C(=O)OC)c2cccc(c2)C(F)(F)F; CO\N =C(C(=O)OC)/c1ccccc1CO\N=C(C)/c2cccc(c2) C(F)(F)F |
methyl (2E)-(methoxyimino)(2-{[({(1Z)-1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxy]methyl}phenyl)ethanoate |
| 30353 |  JZW CHEMBL1085160 ZINC000044460362 |
1 | C23 H29 N5 O4 S2 | InChI=1S/C23H29N5O4S2/c1- 34(30,31)28-7-5-26(6-8-28 )15-19-14-20-21(33-19)23( 27-9-11-32-12-10-27)25-22 (24-20)18-4-2-3-17(13-18) 16-29/h2-4,13-14,29H,5-12 ,15-16H2,1H3; UTNWCQOGZIRULH-UHFFFAOYSA-N |
CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c 4cccc(c4)CO)N5CCOCC5; C[S](=O)(=O)N1CCN( CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc(CO) c5 |
[3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol |
| 30354 |  JZX CHEMBL1083810 ZINC000044460363 |
1 | C21 H27 N7 O3 S2 | InChI=1S/C21H27N7O3S2/c1- 33(29,30)28-6-4-26(5-7-28 )14-16-12-17-19(32-16)21( 27-8-10-31-11-9-27)25-20( 24-17)15-2-3-18(22)23-13- 15/h2-3,12-13H,4-11,14H2, 1H3,(H2,22,23); JEHTXQHLTKVUGY-UHFFFAOYSA-N |
CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c 4ccc(nc4)N)N5CCOCC5; C[S](=O)(=O)N1CCN(C C1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5ccc(N)nc5 |
5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyridin-2-amine |
| 30355 |  JZY CHEMBL1085177 ZINC000044460364 |
1 | C21 H28 N8 O3 S2 | InChI=1S/C21H28N8O3S2/c1- 14-16(12-23-21(22)24-14)1 9-25-17-11-15(13-27-3-5-2 9(6-4-27)34(2,30)31)33-18 (17)20(26-19)28-7-9-32-10 -8-28/h11-12H,3-10,13H2,1 -2H3,(H2,22,23,24); XAZDYPNMXGDMSA-UHFFFAOYSA-N |
Cc1nc(N)ncc1c2nc3cc(CN4CCN(CC4)[S](C)(=O )=O)sc3c(n2)N5CCOCC5; Cc1c(cnc(n1)N)c2nc 3cc(sc3c(n2)N4CCOCC4)CN5CCN(CC5)S(=O)(=O )C |
4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine |
| 30356 |  JZZ ZINC000058650913 |
2 | C20 H21 N3 O2 | InChI=1S/C20H21N3O2/c1-20 (2,3)12-11-14-9-10-15-7-6 -8-17(16(15)13-14)23-18(2 5-5)21-22(4)19(23)24/h6-1 0,13H,1-5H3; XLOATFKILHMZGY-UHFFFAOYSA-N |
CC(C)(C)C#Cc1ccc2cccc(c2c1)N3C(=NN(C3=O) C)OC; COC1=NN(C)C(=O)N1c2cccc3ccc(cc23)C #CC(C)(C)C |
4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| 30357 |  K CHEMBL1233793 DB01345 |
848 | K | InChI=1S/K/q+1; NPYPAHLBTDXSSS-UHFFFAOYSA-N |
[K+] | POTASSIUM ION |
| 30358 |  K00 |
0 | C9 H15 F O8 | InChI=1S/C9H15FO8/c10-3-5 (14)6(15)8(4(13)2(12)1-11 )18-7(3)9(16)17/h2-8,11-1 5H,1H2,(H,16,17)/t2-,3-,4 -,5+,6-,7+,8+/m1/s1; LYONSLFAVFDWPW-KVCYNOHXSA-N |
C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([ C@H](O1)C(=O)O)F)O)O)O)O)O; C(C(C(C1C(C( C(C(O1)C(=O)O)F)O)O)O)O)O; OC[C@@H](O)[C @@H](O)[C@@H]1O[C@@H]([C@H](F)[C@H](O)[C @H]1O)C(O)=O; OC[CH](O)[CH](O)[CH]1O[CH] ([CH](F)[CH](O)[CH]1O)C(O)=O |
(2R,3R,4R,5R,6S)-3-FLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC ACID |
| 30359 |  K01 CHEMBL228369 DB08032 ZINC000000953703 |
2 | C18 H22 N2 O2 S2 | InChI=1S/C18H22N2O2S2/c1- 3-20(4-2)18(22)15-12-8-5- 6-9-13(12)24-17(15)19-16( 21)14-10-7-11-23-14/h7,10 -11H,3-6,8-9H2,1-2H3,(H,1 9,21); NZTHBWHANVWSRX-UHFFFAOYSA-N |
O=C(c1c3c(sc1NC(=O)c2sccc2)CCCC3)N(CC)CC ; CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CCCCc 13; CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)C CCC2 |
N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE |
| 30360 |  K02 DB08033 ZINC000016052555 |
2 | C19 H24 N2 O2 S2 | InChI=1S/C19H24N2O2S2/c1- 4-21(5-2)19(23)16-13-11-1 2(3)8-9-14(13)25-18(16)20 -17(22)15-7-6-10-24-15/h6 -7,10,12H,4-5,8-9,11H2,1- 3H3,(H,20,22)/t12-/m1/s1; UQKSYQYWUHUIEH-GFCCVEGCSA-N |
CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc3CC[C@@H ](C)Cc13; O=C(c1c3c(sc1NC(=O)c2sccc2)CCC (C3)C)N(CC)CC; CCN(CC)C(=O)c1c(NC(=O)c2s ccc2)sc3CC[CH](C)Cc13; CCN(CC)C(=O)c1c2c (sc1NC(=O)c3cccs3)CCC(C2)C; CCN(CC)C(=O) c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C |
(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE |
| 30361 |  K03 CHEMBL390721 ZINC000016052557 |
2 | C20 H26 N2 O2 S2 | InChI=1S/C20H26N2O2S2/c1- 5-22(6-2)19(24)16-13-12-2 0(3,4)10-9-14(13)26-18(16 )21-17(23)15-8-7-11-25-15 /h7-8,11H,5-6,9-10,12H2,1 -4H3,(H,21,23); BCQPPORYBRTCLZ-UHFFFAOYSA-N |
CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C 2)(C)C; CCN(CC)C(=O)c1c(NC(=O)c2sccc2)sc 3CCC(C)(C)Cc13; O=C(c1c3c(sc1NC(=O)c2scc c2)CCC(C3)(C)C)N(CC)CC |
N,N-DIETHYL-5,5-DIMETHYL-2-[(2-THIENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE |
| 30362 |  K04 ZINC000225578152 |
6 | C8 H11 N3 O2 S | InChI=1S/C8H11N3O2S/c1-5- 2-3-13-7(5)8(12)10-6-4-9- 11-14-6/h4-5,7H,2-3H2,1H3 ,(H,10,12)/t5-,7-/m0/s1; OAYBAYPFIGUPDE-FSPLSTOPSA-N |
C[C@H]1CCO[C@@H]1C(=O)Nc2cnns2; C[CH]1CC O[CH]1C(=O)Nc2snnc2; C[C@H]1CCO[C@@H]1C( =O)Nc2snnc2; CC1CCOC1C(=O)Nc2cnns2; n2cc (NC(C1OCCC1C)=O)sn2 |
(2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name) |
| 30363 |  K05 CHEMBL1233795 DB08034 ZINC000000074303 |
1 | C19 H16 N2 O4 | InChI=1S/C19H16N2O4/c1-25 -18-9-7-12-4-2-3-5-14(12) 15(18)11-20-21-19(24)13-6 -8-16(22)17(23)10-13/h2-1 1,22-23H,1H3,(H,21,24)/b2 0-11+; TVOPERZEGKBKAY-RGVLZGJSSA-N |
COc1ccc2ccccc2c1C=NNC(=O)c3ccc(O)c(O)c3; COc1ccc2ccccc2c1/C=N/NC(=O)c3ccc(O)c(O) c3; COc1ccc2ccccc2c1C=NNC(=O)c3ccc(c(c3) O)O; COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c( c3)O)O; O=C(c1cc(O)c(O)cc1)N/N=C/c3c2ccc cc2ccc3OC |
(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE |
| 30364 |  K06 |
1 | C27 H29 N3 O3 | InChI=1S/C27H29N3O3/c1-3- 13-30-22-14-21(18-7-5-4-6 -8-18)24(29-25(22)33-15-2 3(30)31)19-9-11-20(12-10- 19)27(28)16-26(2,32)17-27 /h4-12,14,32H,3,13,15-17, 28H2,1-2H3/t26-,27-; TVEPNGFDBLRHKR-MCZWQBSQSA-N |
CCCN1C(=O)COc2nc(c3ccc(cc3)[C@@]4(N)C[C@ @](C)(O)C4)c(cc12)c5ccccc5; CCCN1C(=O)CO c2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc1 2)c5ccccc5; CCCN1c2cc(c(nc2OCC1=O)c3ccc( cc3)C4(CC(C4)(C)O)N)c5ccccc5 |
6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one |
| 30365 |  K07 ZINC000097166125 |
6 | C10 H14 Cl N3 O | InChI=1S/C10H14ClN3O/c1-1 4(5-8-2-3-15-6-8)10-9(11) 4-12-7-13-10/h4,7-8H,2-3, 5-6H2,1H3/t8-/m1/s1; OYKZBUOZAYBEHE-MRVPVSSYSA-N |
CN(CC1CCOC1)c2c(cncn2)Cl; CN(C[C@H]1CCOC 1)c2ncncc2Cl; n2c(N(CC1COCC1)C)c(cnc2)Cl ; CN(C[C@H]1CCOC1)c2c(cncn2)Cl; CN(C[CH] 1CCOC1)c2ncncc2Cl |
5-chloro-N-methyl-N-{[(3R)-oxolan-3-yl]methyl}pyrimidin-4-amine |
| 30366 |  K08 CHEMBL4531596 ZINC000098209060 |
2 | C23 H24 N4 | InChI=1S/C23H24N4/c1-15(2 )18-10-8-17(9-11-18)14-22 -16(3)19(12-13-23-24-26-2 7-25-23)20-6-4-5-7-21(20) 22/h4-11,14-15H,12-13H2,1 -3H3,(H,24,25,26,27)/b22- 14-; QSWFMFNUTKAURC-HMAPJEAMSA-N |
CC\1=C(c2ccccc2/C1=C\c3ccc(cc3)C(C)C)CCc 4[nH]nnn4; CC(C)c1ccc(cc1)/C=C2/C(=C(CCc 3[nH]nnn3)c4ccccc24)C; CC(C)c1ccc(cc1)C= C2C(=C(CCc3[nH]nnn3)c4ccccc24)C; n1nnnc1 CCC3=C(\C(=C\c2ccc(cc2)C(C)C)c4ccccc34)C ; CC1=C(c2ccccc2C1=Cc3ccc(cc3)C(C)C)CCc4 [nH]nnn4 |
5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole |
| 30367 |  K09 CHEMBL4520775 ZINC000098209061 |
2 | C23 H23 F N4 | InChI=1S/C23H23FN4/c1-14( 2)17-6-4-16(5-7-17)12-21- 15(3)19(10-11-23-25-27-28 -26-23)22-13-18(24)8-9-20 (21)22/h4-9,12-14H,10-11H 2,1-3H3,(H,25,26,27,28)/b 21-12-; XBRDZHUUARVXDN-MTJSOVHGSA-N |
CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)C(C)C)F) CCc4[nH]nnn4; CC(C)c1ccc(cc1)C=C2C(=C(CC c3[nH]nnn3)c4cc(F)ccc24)C; CC(C)c1ccc(cc 1)/C=C2/C(=C(CCc3[nH]nnn3)c4cc(F)ccc24)C ; Fc4ccc2c(C(=C(\C2=C\c1ccc(cc1)C(C)C)C) CCc3nnnn3)c4; CC1=C(c2cc(ccc2C1=Cc3ccc(c c3)C(C)C)F)CCc4[nH]nnn4 |
5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole |
| 30368 |  K0A ZINC000082264779 |
8 | C10 H14 N2 O S | InChI=1S/C10H14N2OS/c1-7- 9(11-8(2)14-7)10(13)12-5- 3-4-6-12/h3-6H2,1-2H3; BRAPKXFMPGACJU-UHFFFAOYSA-N |
Cc1sc(C)c(n1)C(=O)N2CCCC2; Cc1c(nc(s1)C) C(=O)N2CCCC2; N1(CCCC1)C(=O)c2c(sc(n2)C) C |
(2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone |
| 30369 |  K0B CHEMBL5424568 |
1 | C27 H22 F2 N8 O | InChI=1S/C27H22F2N8O/c28- 19-7-8-20-23(22(19)29)33- 21(32-20)14-30-25-24-26(3 5-27(34-25)36-9-11-38-12- 10-36)37(15-31-24)18-6-5- 16-3-1-2-4-17(16)13-18/h1 -8,13,15H,9-12,14H2,(H,32 ,33)(H,30,34,35); DOPHVIBXJOSQHB-UHFFFAOYSA-N |
c1ccc2cc(ccc2c1)n3cnc4c3nc(nc4NCc5[nH]c6 ccc(c(c6n5)F)F)N7CCOCC7; Fc1ccc2[nH]c(CN c3nc(nc4n(cnc34)c5ccc6ccccc6c5)N7CCOCC7) nc2c1F |
~{N}-[[4,5-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-naphthalen-2-yl-purin-6-amine |
| 30370 |  K0C |
4 | C19 H18 N4 O S | InChI=1S/C19H18N4OS/c1-11 -9-21-16(12(2)18(11)24-3) 10-25-19-22-15-7-6-14-13( 17(15)23-19)5-4-8-20-14/h 4-9H,10H2,1-3H3,(H,22,23); ZCTVXZKHWUMYFI-UHFFFAOYSA-N |
COc1c(C)cnc(CSc2[nH]c3c(ccc4ncccc34)n2)c 1C; Cc1cnc(c(c1OC)C)CSc2[nH]c3c4cccnc4cc c3n2; Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncccc3c 2[NH]1 |
2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline |
| 30371 |  K0D ZINC000049090219 |
11 | C9 H13 N3 O2 S | InChI=1S/C9H13N3O2S/c1-6- 5-14-7(2)4-12(6)9(13)8-3- 10-15-11-8/h3,6-7H,4-5H2, 1-2H3/t6-,7+/m0/s1; IKMQGCCZPWFVJE-NKWVEPMBSA-N |
CC1CN(C(CO1)C)C(=O)c2cnsn2; n2cc(C(N1C(C )COC(C)C1)=O)ns2; C[C@@H]1CN([C@H](CO1)C )C(=O)c2cnsn2; C[CH]1CN([CH](C)CO1)C(=O) c2cnsn2; C[C@@H]1CN([C@@H](C)CO1)C(=O)c2 cnsn2 |
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone |
| 30372 |  K0E CHEMBL4211454 ZINC000202060564 |
1 | C23 H19 F3 N8 O | InChI=1S/C23H19F3N8O/c24- 13-2-1-3-14(10-13)34-12-2 8-20-21(31-23(32-22(20)34 )33-6-8-35-9-7-33)27-11-1 7-29-16-5-4-15(25)18(26)1 9(16)30-17/h1-5,10,12H,6- 9,11H2,(H,29,30)(H,27,31, 32); CEBMEQPREMCWOL-UHFFFAOYSA-N |
Fc1cccc(c1)n2cnc3c(NCc4[nH]c5c(F)c(F)ccc 5n4)nc(nc23)N6CCOCC6; c1cc(cc(c1)F)n2cnc 3c2nc(nc3NCc4[nH]c5c(n4)ccc(c5F)F)N6CCOC C6 |
~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine |
| 30373 |  K0F |
0 | C29 H29 N2 O4 | InChI=1S/C29H29N2O4/c1-32 -25-8-7-21-22(6-4-3-5-19- 9-12-30-13-10-19)28-23-16 -27-26(34-18-35-27)15-20( 23)11-14-31(28)17-24(21)2 9(25)33-2/h7-10,12-13,15- 17H,3-6,11,14,18H2,1-2H3/ q+1; YAGGXYGFEKMOOG-UHFFFAOYSA-N |
COc1ccc2c(c1OC)c[n+]3c(c2CCCCc4ccncc4)-c 5cc6c(cc5CC3)OCO6; COc1ccc2c(CCCCc3ccncc 3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC |
16,17-dimethoxy-21-(4-pyridin-4-ylbutyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaene; Berberine |
| 30374 |  K0G CHEMBL1412642 ZINC000000037406 |
25 | C12 H11 N3 O | InChI=1S/C12H11N3O/c16-12 (14-10-5-2-1-3-6-10)15-11 -7-4-8-13-9-11/h1-9H,(H2, 14,15,16); WBKYYDBHEGTTON-UHFFFAOYSA-N |
O=C(Nc1ccccc1)Nc2cccnc2; c1ccc(cc1)NC(=O )Nc2cccnc2; N(c1cccnc1)C(Nc2ccccc2)=O |
N-phenyl-N'-pyridin-3-ylurea |
| 30375 |  K0H |
1 | C36 H44 Cl N5 O7 | InChI=1S/C36H44ClN5O7/c1- 4-25-11-10-23-15-19-39(31 (23)34(47)40(25)21-30(44) 49-3)33(46)29-13-12-26-14 -17-36(35(48)42(26)29)16- 7-18-41(36)32(45)28(38-22 (2)43)20-24-8-5-6-9-27(24 )37/h5-6,8-11,14,17,23,25 -26,28-29,31H,4,7,12-13,1 5-16,18-21H2,1-3H3,(H,38, 43)/t23-,25+,26-,28-,29-, 31-,36+/m0/s1; VSCCVWMHHYBOGJ-WZYZTGQKSA-N |
CCC1C=CC2CCN(C2C(=O)N1CC(=O)OC)C(=O)C3CC C4N3C(=O)C5(CCCN5C(=O)C(Cc6ccccc6Cl)NC(= O)C)C=C4; CC[C@@H]1C=C[C@H]2CCN([C@@H]2C (=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@H]4C=C[C @]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(C)=O) C(=O)N34; CC[CH]1C=C[CH]2CCN([CH]2C(=O)N 1CC(=O)OC)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5 C(=O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34; CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(= O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5( CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4 |
methyl 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoate |
| 30376 |  K0I CHEMBL3188597 ZINC000095616592 |
7 | C22 H23 N5 O2 | InChI=1S/C22H23N5O2/c28-2 1(29)8-12-24-19-15-20(26- 22(25-19)18-7-3-4-11-23-1 8)27-13-9-16-5-1-2-6-17(1 6)10-14-27/h1-7,11,15H,8- 10,12-14H2,(H,28,29)(H,24 ,25,26); AVZCPICCWKMZDT-UHFFFAOYSA-N |
OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc 4CC3; c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4cc ccn4)NCCC(=O)O; O=C(O)CCNc2nc(c1ncccc1)n c(c2)N3CCc4c(CC3)cccc4 |
3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid; 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid |
| 30377 |  K0J ZINC000070190771 |
7 | C5 H8 N4 O | InChI=1S/C5H8N4O/c1-2-6-5 (10)4-3-7-9-8-4/h3H,2H2,1 H3,(H,6,10)(H,7,8,9); VTJBQJOBKLNCDW-UHFFFAOYSA-N |
n1nnc(c1)C(NCC)=O; CCNC(=O)c1c[nH]nn1 | N-ethyl-1H-1,2,3-triazole-4-carboxamide |
| 30378 |  K0K |
1 | C35 H42 Cl N5 O7 | InChI=1S/C35H42ClN5O7/c1- 3-24-10-9-22-14-18-38(30( 22)33(47)39(24)20-29(43)4 4)32(46)28-12-11-25-13-16 -35(34(48)41(25)28)15-6-1 7-40(35)31(45)27(37-21(2) 42)19-23-7-4-5-8-26(23)36 /h4-5,7-10,13,16,22,24-25 ,27-28,30H,3,6,11-12,14-1 5,17-20H2,1-2H3,(H,37,42) (H,43,44)/t22-,24+,25-,27 -,28-,30-,35+/m0/s1; VKBPCLAGXRQASF-TUFUIHJKSA-N |
CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(= O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(C CCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4; CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC( O)=O)C(=O)[C@@H]3CC[C@H]4C=C[C@]5(CCCN5C (=O)[C@H](Cc6ccccc6Cl)NC(C)=O)C(=O)N34; CCC1C=CC2CCN(C2C(=O)N1CC(=O)O)C(=O)C3CCC 4N3C(=O)C5(CCCN5C(=O)C(Cc6ccccc6Cl)NC(=O )C)C=C4; CC[CH]1C=C[CH]2CCN([CH]2C(=O)N1 CC(O)=O)C(=O)[CH]3CC[CH]4C=C[C]5(CCCN5C( =O)[CH](Cc6ccccc6Cl)NC(C)=O)C(=O)N34 |
2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid |
| 30379 |  K0L |
0 | C10 H13 N O3 | InChI=1S/C10H13NO3/c1-6-3 -8(11)4-7(2)10(6)14-5-9(1 2)13/h3-4H,5,11H2,1-2H3,( H,12,13); VBBVKAACCNVDOH-UHFFFAOYSA-N |
Cc1cc(cc(c1OCC(=O)O)C)N; Cc1cc(N)cc(C)c1 OCC(O)=O; O=C(O)COc1c(cc(cc1C)N)C |
(4-amino-2,6-dimethylphenoxy)acetic acid |
| 30380 |  K0M ZINC000024475473 |
10 | C9 H10 N4 O2 | InChI=1S/C9H10N4O2/c1-6-5 -7(15-12-6)9(14)10-8-3-4- 13(2)11-8/h3-5H,1-2H3,(H, 10,11,14); DMCIRIFKONIQNK-UHFFFAOYSA-N |
Cn1ccc(NC(=O)c2onc(C)c2)n1; N(c1nn(cc1)C )C(c2onc(C)c2)=O; Cc1cc(on1)C(=O)Nc2ccn( n2)C |
3-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1,2-oxazole-5-carboxamide |
| 30381 |  K0N CHEMBL4778120 |
1 | C17 H18 N4 O3 S | InChI=1S/C17H18N4O3S/c1-1 7(2,3)15-20-21-16(25-15)1 9-14(23)11(9-18)7-10-5-6- 12(22)13(8-10)24-4/h5-8,2 2H,1-4H3,(H,19,21,23)/b11 -7+; QETDAIRBSSGKBC-YRNVUSSQSA-N |
CC(C)(C)c1nnc(s1)NC(=O)C(=Cc2ccc(c(c2)OC )O)C#N; COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc( nn2)C(C)(C)C; CC(C)(C)c1nnc(s1)NC(=O)/C( =C/c2ccc(c(c2)OC)O)/C#N; COc1cc(ccc1O)\C =C(/C#N)C(=O)Nc2sc(nn2)C(C)(C)C |
(~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
| 30382 |  K0O ZINC000013373847 |
2 | C15 H22 O4 | InChI=1S/C15H22O4/c1-9(2) 10-3-5-14-7-12(19-8-14)15 (18,13(16)17)6-4-11(10)14 /h11-12,18H,3-8H2,1-2H3,( H,16,17)/t11-,12+,14+,15+ /m0/s1; IOYVXXQKVQKQIG-CTHBEMJXSA-N |
CC(=C1CC[C@@]23[C@H]1CC[C@@]([C@@H](C2)O C3)(C(=O)O)O)C; CC(=C1CCC23C1CCC(C(C2)OC 3)(C(=O)O)O)C; CC(C)=C1CC[C]23CO[CH](C2) [C](O)(CC[CH]13)C(O)=O; CC(C)=C1CC[C@]23 CO[C@H](C2)[C@](O)(CC[C@@H]13)C(O)=O |
Aspterric Acid; (1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid |
| 30383 |  K0P ZINC000000355878 |
5 | C12 H14 N4 O | InChI=1S/C12H14N4O/c1-2-1 6-9-10(7-15-16)6-14-12(17 )11-4-3-5-13-8-11/h3-5,7- 9H,2,6H2,1H3,(H,14,17); BMMWLPQUDGCRRJ-UHFFFAOYSA-N |
CCn1cc(CNC(=O)c2cccnc2)cn1; N(Cc1cnn(c1) CC)C(c2cnccc2)=O; CCn1cc(cn1)CNC(=O)c2cc cnc2 |
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide |
| 30384 |  K0Q CHEMBL4455738 |
1 | C17 H17 N3 O3 | InChI=1S/C17H17N3O3/c21-1 5-6-3-9-20(17(15)23)11-16 (22)18-8-7-12-10-19-14-5- 2-1-4-13(12)14/h1-6,9-10, 19,21H,7-8,11H2,(H,18,22); NRCSONGNAATKNC-UHFFFAOYSA-N |
OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O ; c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C( C3=O)O |
~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide |
| 30385 |  K0R |
1 | C18 H15 Cl N6 O | InChI=1S/C18H15ClN6O/c1-1 1-15(19)16(24(2)23-11)17( 26)21-14-8-9-25-10-13(20- 18(25)22-14)12-6-4-3-5-7- 12/h3-10H,1-2H3,(H,20,21, 22,26); GWSNRQDCTSDALC-UHFFFAOYSA-N |
Clc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C) nc1C; Cc1c(c(n(n1)C)C(=O)Nc2ccn3cc(nc3n2 )c4ccccc4)Cl; Cn1nc(C)c(Cl)c1C(=O)Nc2ccn 3cc(nc3n2)c4ccccc4 |
4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide |
| 30386 |  K0S ZINC000000115413 |
5 | C11 H12 N4 O S | InChI=1S/C11H12N4OS/c1-2- 5-9-14-15-11(17-9)13-10(1 6)8-6-3-4-7-12-8/h3-4,6-7 H,2,5H2,1H3,(H,13,15,16); YLIXOWXKFVUKRS-UHFFFAOYSA-N |
CCCc1sc(NC(=O)c2ccccn2)nn1; CCCc1nnc(s1) NC(=O)c2ccccn2; n1nc(CCC)sc1NC(c2ncccc2) =O |
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide |
| 30387 |  K0T CHEMBL4636775 |
1 | C34 H45 N7 O6 S | InChI=1S/C34H45N7O6S/c1-4 0(2)28-17-8-14-25-24(28)1 3-9-18-30(25)48(46,47)41- 22-7-6-16-29(41)32(43)38- 26(20-19-23-11-4-3-5-12-2 3)31(42)39-27(33(44)45)15 -10-21-37-34(35)36/h3-5,8 -9,11-14,17-18,26-27,29H, 6-7,10,15-16,19-22H2,1-2H 3,(H,38,43)(H,39,42)(H,44 ,45)(H4,35,36,37)/t26-,27 -,29-/m0/s1; MKNCAFDCRIGOAN-YCVJPRETSA-N |
CN(C)c1cccc2c1cccc2S(=O)(=O)N3CCCCC3C(=O )NC(CCc4ccccc4)C(=O)NC(CCCNC(=N)N)C(=O)O ; CN(C)c1cccc2c1cccc2[S](=O)(=O)N3CCCC[C @H]3C(=O)N[C@@H](CCc4ccccc4)C(=O)N[C@@H] (CCCNC(N)=N)C(O)=O; CN(C)c1cccc2c1cccc2[ S](=O)(=O)N3CCCC[CH]3C(=O)N[CH](CCc4cccc c4)C(=O)N[CH](CCCNC(N)=N)C(O)=O; [H]/N=C (/N)\NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1c cccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc 4c3cccc4N(C)C |
(2~{S})-5-carbamimidamido-2-[[(2~{S})-2-[[(2~{S})-1-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperidin-2-yl]carbonylamino]-4-phenyl-butanoyl]amino]pentanoic acid |
| 30388 |  K0U |
3 | C11 H11 Cl3 O2 S | InChI=1S/C11H11Cl3O2S/c1- 5(2)10(11(15)16)17-9-4-7( 13)6(12)3-8(9)14/h3-5,10H ,1-2H3,(H,15,16)/t10-/m0/ s1; NZZHJGDJZXXDGX-JTQLQIEISA-N |
CC(C)[CH](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O; Cl c1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl; CC(C)[C @@H](C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl; CC(C)C( C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl; CC(C)[C@H](S c1cc(Cl)c(Cl)cc1Cl)C(O)=O |
(2S)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid |
| 30389 |  K0V CHEMBL1469026 ZINC000000800871 |
9 | C12 H22 N2 O3 | InChI=1S/C12H22N2O3/c1-12 (2,3)13-11(16)14-7-5-9(6- 8-14)10(15)17-4/h9H,5-8H2 ,1-4H3,(H,13,16); YNDIZCMKDPECRX-UHFFFAOYSA-N |
COC(=O)C1CCN(CC1)C(=O)NC(C)(C)C; N(C(C)( C)C)C(=O)N1CCC(CC1)C(OC)=O; CC(C)(C)NC(= O)N1CCC(CC1)C(=O)OC |
methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate |
| 30390 |  K0W |
4 | C6 H20 O30 P8 | InChI=1S/C6H20O30P8/c7-37 (8,9)29-1-2(30-38(10,11)1 2)4(32-40(16,17)18)6(34-4 4(27,28)36-42(22,23)24)5( 3(1)31-39(13,14)15)33-43( 25,26)35-41(19,20)21/h1-6 H,(H,25,26)(H,27,28)(H2,7 ,8,9)(H2,10,11,12)(H2,13, 14,15)(H2,16,17,18)(H2,19 ,20,21)(H2,22,23,24)/t1-, 2-,3+,4+,5-,6+/m0/s1; GXPFHIDIIMSLOF-FTYOSCRSSA-N |
C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)OP(=O)( O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O )(O)O)OP(=O)(O)O; O[P](O)(=O)O[C@H]1[C@H ](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H] (O[P](O)(=O)O[P](O)(O)=O)[C@H](O[P](O)(= O)O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O; O[P] (O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P] (O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[C H](O[P](O)(=O)O[P](O)(O)=O)[CH]1O[P](O)( O)=O; [C@@H]1([C@@H]([C@H]([C@@H]([C@@H] ([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O P(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O )OP(=O)(O)O |
[(1~{S},2~{R},3~{R},4~{S},5~{S},6~{R})-2-[oxidanyl(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxy-cyclohexyl] phosphono hydrogen phosphate |
| 30391 |  K0X CHEMBL4290493 ZINC000205636120 |
2 | C24 H34 F N7 O2 | InChI=1S/C24H34FN7O2/c25- 18-10-8-17(9-11-18)15-30- 22(33)19-16-31-24-29-14-5 -2-1-4-13-28-23(34)20(26) 7-3-6-12-27-21(19)32-24/h 8-11,16,20H,1-7,12-15,26H 2,(H,28,34)(H,30,33)(H2,2 7,29,31,32)/t20-/m0/s1; ONIHBIZGUJZDHG-FQEVSTJZSA-N |
c1cc(ccc1CNC(=O)c2cnc3nc2NCCCCC(C(=O)NCC CCCCN3)N)F; c1cc(ccc1CNC(=O)c2cnc3nc2NCC CC[C@@H](C(=O)NCCCCCCN3)N)F; N[C@H]1CCCC Nc2nc(NCCCCCCNC1=O)ncc2C(=O)NCc3ccc(F)cc 3; C1CCCNC(=O)C(N)CCCCNc2c(cnc(NCC1)n2)C (=O)NCc3ccc(cc3)F; N[CH]1CCCCNc2nc(NCCCC CCNC1=O)ncc2C(=O)NCc3ccc(F)cc3 |
(7S)-7-amino-N-[(4-fluorophenyl)methyl]-8-oxo-2,9,16,18,21-pentaazabicyclo[15.3.1]henicosa-1(21),17,19-triene-20-carboxamide; UNC2541 |
| 30392 |  K0Y ZINC000000128548 |
6 | C8 H10 N2 O4 | InChI=1S/C8H10N2O4/c1-5-3 -6(10-14-5)8(12)9-4-7(11) 13-2/h3H,4H2,1-2H3,(H,9,1 2); FPAQMEYCJIMDCC-UHFFFAOYSA-N |
COC(=O)CNC(=O)c1cc(C)on1; Cc1cc(no1)C(=O )NCC(=O)OC; n1c(C(NCC(OC)=O)=O)cc(C)o1 |
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate |
| 30393 |  K0Z CHEMBL4795023 |
1 | C13 H9 Br N4 O3 S | InChI=1S/C13H9BrN4O3S/c1- 21-10-5-7(2-3-9(10)19)4-8 (6-15)11(20)16-13-18-17-1 2(14)22-13/h2-5,19H,1H3,( H,16,18,20)/b8-4+; IOTWDUPCILVATH-XBXARRHUSA-N |
COc1cc(ccc1O)/C=C(\C#N)/C(=O)Nc2nnc(s2)B r; COc1cc(ccc1O)C=C(C#N)C(=O)Nc2sc(Br)nn 2; COc1cc(ccc1O)C=C(C#N)C(=O)Nc2nnc(s2)B r; COc1cc(ccc1O)\C=C(/C#N)C(=O)Nc2sc(Br) nn2 |
(~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide |
| 30394 |  K10 CHEMBL411930 DB08035 ZINC000029050717 |
1 | C18 H23 N5 | InChI=1S/C18H23N5/c1-11-6 -7-12(2)13(8-11)9-14-15-1 6(19)20-10-21-17(15)23(22 -14)18(3,4)5/h6-8,10H,9H2 ,1-5H3,(H2,19,20,21); QUPXEJURIFFVSX-UHFFFAOYSA-N |
Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c 1; Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C )N)C; n1c(c2c(nc1)n(nc2Cc3cc(ccc3C)C)C(C )(C)C)N |
1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE |
| 30395 |  K11 CHEMBL463323 ZINC000039205007 |
1 | C28 H20 F3 N7 O | InChI=1S/C28H20F3N7O/c1-3 2-26-34-14-12-21(35-26)19 -7-4-13-33-25(19)39-24-11 -10-20(17-5-2-3-6-18(17)2 4)36-27-37-22-9-8-16(28(2 9,30)31)15-23(22)38-27/h2 -15H,1H3,(H,32,34,35)(H2, 36,37,38); VIHXUAKPZPXVSW-UHFFFAOYSA-N |
CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5 [nH]c6cc(ccc6n5)C(F)(F)F; FC(F)(F)c6cc1c (nc(n1)Nc5c2ccccc2c(Oc4ncccc4c3nc(ncc3)N C)cc5)cc6; CNc1nccc(n1)c2cccnc2Oc3ccc(Nc 4[nH]c5cc(ccc5n4)C(F)(F)F)c6ccccc36 |
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine |
| 30396 |  K12 ZINC000066156892 |
0 | C12 H27 O5 P | InChI=1S/C12H27O5P/c13-11 -9-7-5-3-1-2-4-6-8-10-12- 17-18(14,15)16/h13H,1-12H 2,(H2,14,15,16); QDHWEQVVRFFGKU-UHFFFAOYSA-N |
OCCCCCCCCCCCCO[P](O)(O)=O; C(CCCCCCOP(=O )(O)O)CCCCCO; O=P(OCCCCCCCCCCCCO)(O)O |
12-hydroxydodecyl dihydrogen phosphate |
| 30397 |  K13 ZINC000098209062 |
10 | C28 H39 N3 O7 S | InChI=1S/C28H39N3O7S/c1-3 -19(2)16-31(39(34,35)22-1 1-9-21(29)10-12-22)17-25( 32)24(15-20-7-5-4-6-8-20) 30-28(33)38-26-18-37-27-2 3(26)13-14-36-27/h4-12,19 ,23-27,32H,3,13-18,29H2,1 -2H3,(H,30,33)/t19-,23-,2 4-,25+,26-,27+/m0/s1; NKLRQHQHYBFPSD-DRMLODCJSA-N |
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N C(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)( =O)c4ccc(N)cc4; CC[C@H](C)C[N@@](C[C@H]( [C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C @H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N; CC[CH]( C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2 CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(N)cc4; O=S(=O)(c1ccc(N)cc1)N(CC(C)CC)CC(O)C(NC (=O)OC2COC3OCCC23)Cc4ccccc4; CCC(C)CN(CC (C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O) (=O)c4ccc(cc4)N |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate |
| 30398 |  K14 ZINC000098209063 |
6 | C29 H40 N2 O8 S | InChI=1S/C29H40N2O8S/c1-4 -20(2)17-31(40(34,35)23-1 2-10-22(36-3)11-13-23)18- 26(32)25(16-21-8-6-5-7-9- 21)30-29(33)39-27-19-38-2 8-24(27)14-15-37-28/h5-13 ,20,24-28,32H,4,14-19H2,1 -3H3,(H,30,33)/t20-,24-,2 5-,26+,27-,28+/m0/s1; CXUFZTSMYKDYRK-QKULBLGOSA-N |
CC[CH](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O )O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc (OC)cc4; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc 1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23 )[S](=O)(=O)c4ccc(OC)cc4; O=S(=O)(c1ccc( OC)cc1)N(CC(C)CC)CC(O)C(NC(=O)OC2COC3OCC C23)Cc4ccccc4; CCC(C)CN(CC(C(Cc1ccccc1)N C(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4) OC; CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccc cc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S (=O)(=O)c4ccc(cc4)OC |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}propyl]carbamate |
| 30399 |  K15 CHEMBL1290526 ZINC000064549627 |
1 | C20 H33 N7 O5 | InChI=1S/C20H33N7O5/c1-2- 3-4-5-7-26(8-6-12(21)20(3 0)31)9-13-15(28)16(29)19( 32-13)27-11-25-14-17(22)2 3-10-24-18(14)27/h10-13,1 5-16,19,28-29H,2-9,21H2,1 H3,(H,30,31)(H2,22,23,24) /t12-,13+,15+,16+,19+/m0/ s1; PUFLVFWUSGLSNL-BPAMBQHCSA-N |
CCCCCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([ C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CCCCCC N(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]( [C@@H](O1)n2cnc3c2ncnc3N)O)O; O=C(O)C(N) CCN(CCCCCC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3 O; CCCCCCN(CCC(C(=O)O)N)CC1C(C(C(O1)n2cn c3c2ncnc3N)O)O; CCCCCCN(CC[CH](N)C(O)=O) C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc 23 |
5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine |
| 30400 |  K16 CHEMBL255708 ZINC000003871989 |
1 | C28 H38 N2 O4 | InChI=1S/C28H38N2O4/c1-5- 17-16-30-9-7-19-13-27(33- 3)28(34-4)15-22(19)24(30) 11-20(17)10-23-21-14-26(3 2-2)25(31)12-18(21)6-8-29 -23/h12-15,17,20,23-24,29 ,31H,5-11,16H2,1-4H3/t17- ,20-,23+,24-/m0/s1; DTGZHCFJNDAHEN-OZEXIGSWSA-N |
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[ C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC; CC[C@H] 1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C @H]4NCCc5cc(O)c(OC)cc45; CCC1CN2CCc3cc(c (cc3C2CC1CC4c5cc(c(cc5CCN4)O)OC)OC)OC; C C[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[ CH]4NCCc5cc(O)c(OC)cc45 |
Cephaeline; (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |