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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 35201 |  NW4 ZINC000000460647 |
4 | C13 H23 N O2 | InChI=1S/C13H23NO2/c15-13 (14-8-10-16-11-9-14)7-6-1 2-4-2-1-3-5-12/h12H,1-11H 2; KUIOCGNNDZSGKS-UHFFFAOYSA-N |
N1(CCOCC1)C(=O)CCC2CCCCC2; O=C(CCC1CCCCC 1)N2CCOCC2; C1CCC(CC1)CCC(=O)N2CCOCC2 |
3-cyclohexyl-1-(morpholin-4-yl)propan-1-one |
| 35202 |  NW5 CHEMBL4636415 |
1 | C27 H26 N2 O4 | InChI=1S/C27H26N2O4/c1-27 (2,16-28)21-10-17(14-32-2 4-6-4-3-5-19(24)13-26(30) 31)9-20(11-21)18-7-8-25-2 2(12-18)23(29)15-33-25/h3 -12,23H,13-15,29H2,1-2H3, (H,30,31)/t23-/m1/s1; SRKDCGUSWAONMJ-HSZRJFAPSA-N |
CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N) COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(COc2cc ccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3; C C(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO 3)N)COc4ccccc4CC(=O)O; CC(C)(C#N)c1cc(CO c2ccccc2CC(O)=O)cc(c1)c3ccc4OC[C@@H](N)c 4c3 |
2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid |
| 35203 |  NW6 CHEMBL9514 DB08313 ZINC000000056509 |
2 | C14 H11 N3 O3 S | InChI=1S/C14H11N3O3S/c1-2 0-14(19)17-13-15-9-5-4-8( 7-10(9)16-13)12(18)11-3-2 -6-21-11/h2-7H,1H3,(H2,15 ,16,17,19); KYRVNWMVYQXFEU-UHFFFAOYSA-N |
COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3cccs3; COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3 |
nocodazole |
| 35204 |  NW7 ZINC000000373530 |
7 | C11 H13 N3 O3 | InChI=1S/C11H13N3O3/c1-4- 8-10(7(3)17-13-8)11(15)12 -9-5-6(2)16-14-9/h5H,4H2, 1-3H3,(H,12,14,15); OZMHRDLCZDDXRS-UHFFFAOYSA-N |
CCc1noc(C)c1C(=O)Nc2cc(C)on2; n2oc(C)c(C (Nc1noc(c1)C)=O)c2CC; CCc1c(c(on1)C)C(=O )Nc2cc(on2)C |
3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide |
| 35205 |  NW8 CHEMBL4644541 |
2 | C19 H13 Cl N2 | InChI=1S/C19H13ClN2/c20-1 6-10-8-14(9-11-16)17-7-4- 12-22-13-18(21-19(17)22)1 5-5-2-1-3-6-15/h1-13H; PWFFYDSSTMPMCL-UHFFFAOYSA-N |
Clc1ccc(cc1)c2cccn3cc(nc23)c4ccccc4; c1c cc(cc1)c2cn3cccc(c3n2)c4ccc(cc4)Cl |
8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine |
| 35206 |  NW9 |
1 | C22 H26 N2 O6 | InChI=1S/C22H26N2O6/c1-12 -14(20(27)19-16(25)6-3-7- 17(19)26)8-9-15-18(12)21( 28)24(22(29)23(15)2)11-13 -5-4-10-30-13/h4-5,8-10,1 6-17,19-20,25-27H,3,6-7,1 1H2,1-2H3/t16-,17-,20+/m1 /s1; CYBBVYSDLXTTAV-HLIPFELVSA-N |
Cc1c(ccc2c1C(=O)N(C(=O)N2C)Cc3ccco3)C(C4 C(CCCC4O)O)O; Cc1c(ccc2c1C(=O)N(C(=O)N2C )Cc3ccco3)[C@@H](C4[C@@H](CCC[C@H]4O)O)O ; CN1C(=O)N(Cc2occc2)C(=O)c3c(C)c(ccc13) [C@H](O)C4[C@H](O)CCC[C@H]4O; CN1C(=O)N( Cc2occc2)C(=O)c3c(C)c(ccc13)[CH](O)C4[CH ](O)CCC[CH]4O |
6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(furan-2-ylmethyl)-1,5-dimethyl-quinazoline-2,4-dione |
| 35207 |  NWA ZINC000038191892 |
8 | C8 H20 N O2 | InChI=1S/C8H20NO2/c1-8(10 ,11)6-5-7-9(2,3)4/h10-11H ,5-7H2,1-4H3/q+1; WEYSSHXEYINXQE-UHFFFAOYSA-N |
CC(CCC[N+](C)(C)C)(O)O; CC(O)(O)CCC[N+]( C)(C)C; OC(O)(C)CCC[N+](C)(C)C |
4,4-DIHYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM |
| 35208 |  NWB CHEMBL136916 |
0 | C8 H18 N O | InChI=1/C8H18NO/c1-8(10)6 -5-7-9(2,3)4/h5-7H2,1-4H3 /q+1; UKCYTFTWLWVZSO-UHFFFAOYAD |
CC(=O)CCC[N+](C)(C)C; O=C(C)CCC[N+](C)(C )C |
N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM |
| 35209 |  NWD CHEMBL121191 ZINC000001702710 |
10 | C7 H8 N4 O6 | InChI=1S/C7H8N4O6/c8-3(6( 13)14)1-10-2-4(11(16)17)5 (12)9-7(10)15/h2-3H,1,8H2 ,(H,13,14)(H,9,12,15)/t3- /m0/s1; IEBVITXSHAFLJR-VKHMYHEASA-N |
C1=C(C(=O)NC(=O)N1CC(C(=O)O)N)[N+](=O)[O -]; N[C@@H](CN1C=C(C(=O)NC1=O)[N+]([O-]) =O)C(O)=O; C1=C(C(=O)NC(=O)N1C[C@@H](C(= O)O)N)[N+](=O)[O-]; N[CH](CN1C=C(C(=O)NC 1=O)[N+]([O-])=O)C(O)=O; O=C(O)C(N)CN1C= C(C(=O)NC1=O)[N+]([O-])=O |
3-(5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine; nitrowillardiine |
| 35210 |  NWE CHEMBL4637306 |
1 | C24 H23 N O3 | InChI=1S/C24H23NO3/c26-24 (27)14-21-5-1-2-7-23(21)2 8-16-17-4-3-6-19(12-17)20 -9-8-18-10-11-25-15-22(18 )13-20/h1-9,12-13,25H,10- 11,14-16H2,(H,26,27); PKSHGMOAJDEGBL-UHFFFAOYSA-N |
c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c 3)CNCC4; OC(=O)Cc1ccccc1OCc2cccc(c2)c3cc c4CCNCc4c3 |
2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid |
| 35211 |  NWF |
2 | C29 H35 Cl N4 O4 S3 | InChI=1S/C29H35ClN4O4S3/c 30-25-8-7-24(41-25)27(36) 31-12-23-29(38)33-10-1-2- 22(15-33)28(37)34-13-21(1 4-34)18-40-17-20-5-3-19(4 -6-20)16-39-11-9-26(35)32 -23/h3-8,21-23H,1-2,9-18H 2,(H,31,36)(H,32,35)/t22- ,23+/m0/s1; DMWNMQDHKVVIKK-XZOQPEGZSA-N |
Clc1sc(cc1)C(=O)NC[CH]2NC(=O)CCSCc3ccc(C SCC4CN(C4)C(=O)[CH]5CCC[N](C5)C2=O)cc3; c1cc2ccc1CSCCC(=O)N[C@@H](C(=O)N3CCC[C@@ H](C3)C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5) Cl; c1cc2ccc1CSCCC(=O)NC(C(=O)N3CCCC(C3) C(=O)N4CC(C4)CSC2)CNC(=O)c5ccc(s5)Cl; Cl c1sc(cc1)C(=O)NC[C@H]2NC(=O)CCSCc3ccc(CS CC4CN(C4)C(=O)[C@H]5CCC[N@@](C5)C2=O)cc3 |
5-chloranyl-~{N}-[[(9~{S},15~{R})-8,14,17-tris(oxidanylidene)-3,20-dithia-7,13,16-triazatetracyclo[20.2.2.1^{5,7}.1^{9,13}]octacosa-1(25),22(26),23-trien-15-yl]methyl]thiophene-2-carboxamide |
| 35212 |  NWG ZINC000001529743 |
4 | 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 |
NC(N)=NCCCC(=O)C(O)=O; C(=O)(C(O)=O)CCC\ N=C(/N)N; C(CC(=O)C(=O)O)CN=C(N)N |
5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
| 35213 |  NWH DB03061 |
4 | C8 H17 N O | InChI=1S/C8H17NO/c1-3-4-5 -6-8(2)9-7-10/h7-8H,3-6H2 ,1-2H3,(H,9,10)/t8-/m0/s1; GFVRKPKAQHTAQK-QMMMGPOBSA-N |
CCCCC[C@H](C)NC=O; CCCCC[CH](C)NC=O; CCC CCC(C)NC=O |
N-[(2S)-heptan-2-yl]formamide; (S)-N-1-methylhexylformamide |
| 35214 |  NWI |
1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 13-5-1-3-11(7-13)8-15(21) 20-14-10-18-9-12-4-2-6-19 -16(12)14/h1-7,9-10H,8H2, (H,20,21); AFQAFSYTYCJOEN-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3; Clc 1cccc(CC(=O)Nc2cncc3cccnc23)c1; Clc1cccc (c1)CC(=O)Nc1cncc2cccnc21 |
2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide |
| 35215 |  NWJ CHEMBL3318494 ZINC000263621280 |
4 | C18 H16 N6 O | InChI=1S/C18H16N6O/c19-9- 13-14-16(21-15(13)12-5-3- 4-11(8-12)10-25)22-18(20) 23-17(14)24-6-1-2-7-24/h3 -5,8,10H,1-2,6-7H2,(H3,20 ,21,22,23); YJUYKLYWYFTFQN-UHFFFAOYSA-N |
c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N )C#N)C=O; Nc1nc2[nH]c(c3cccc(C=O)c3)c(C# N)c2c(n1)N4CCCC4; O=Cc1cccc(c1)c3c(C#N)c 2c(nc(nc2n3)N)N4CCCC4 |
2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 35216 |  NWK CHEMBL5028560 |
2 | C20 H20 Cl2 N4 O5 S | InChI=1S/C20H20Cl2N4O5S/c 1-10-14(21)15(22)17(23-10 )18(27)25-20-24-16-12(8-1 1(19(28)29)9-13(16)32-20) 31-7-4-26-2-5-30-6-3-26/h 8-9,23H,2-7H2,1H3,(H,28,2 9)(H,24,25,27); IALGYKMHQTUZKU-UHFFFAOYSA-N |
Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(= O)O)OCCN4CCOCC4)Cl)Cl; Cc1[nH]c(C(=O)Nc2 sc3cc(cc(OCCN4CCOCC4)c3n2)C(O)=O)c(Cl)c1 Cl |
2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid |
| 35217 |  NWL ZINC000003276805 |
4 | C13 H16 N4 O2 | InChI=1S/C13H16N4O2/c1-2- 15-10-11(14)17(13(19)16-1 2(10)18)8-9-6-4-3-5-7-9/h 3-7,15H,2,8,14H2,1H3,(H,1 6,18,19); DHIDSSFRXLUFLN-UHFFFAOYSA-N |
O=C1C(=C(N)N(C(=O)N1)Cc2ccccc2)NCC; CCNC 1=C(N)N(Cc2ccccc2)C(=O)NC1=O; CCNC1=C(N( C(=O)NC1=O)Cc2ccccc2)N |
6-amino-1-benzyl-5-(ethylamino)pyrimidine-2,4(1H,3H)-dione |
| 35218 |  NWM ZINC000263621234 |
4 | C32 H51 N O8 | InChI=1S/C32H51NO8/c1-8-3 0(37)41-29(17-19-39-20-27 -12-10-9-11-13-27)25(5)31 (38)22(2)14-15-28(36)24(4 )32(40-26(6)35)23(3)16-18 -33(7)21-34/h9-13,21-25,2 9,31-32,38H,8,14-20H2,1-7 H3/t22-,23+,24-,25+,29+,3 1+,32+/m0/s1; XTSMHDZMNHFSNK-YEERNSKASA-N |
O=CN(C)CCC(C)C(OC(=O)C)C(C(=O)CCC(C)C(O) C(C)C(OC(=O)CC)CCOCc1ccccc1)C; CCC(=O)O[ CH](CCOCc1ccccc1)[CH](C)[CH](O)[CH](C)CC C(=O)[CH](C)[CH](OC(C)=O)[CH](C)CCN(C)C= O; CCC(=O)OC(CCOCc1ccccc1)C(C)C(C(C)CCC( =O)C(C)C(C(C)CCN(C)C=O)OC(=O)C)O; CCC(=O )O[C@H](CCOCc1ccccc1)[C@@H](C)[C@@H]([C@ @H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)CCN( C)C=O)OC(=O)C)O; CCC(=O)O[C@H](CCOCc1ccc cc1)[C@@H](C)[C@H](O)[C@@H](C)CCC(=O)[C@ H](C)[C@H](OC(C)=O)[C@H](C)CCN(C)C=O |
(3R,4S,5R,6S,10R,11R,12R)-11-(acetyloxy)-1-(benzyloxy)-14-[formyl(methyl)amino]-5-hydroxy-4,6,10,12-tetramethyl-9-oxotetradecan-3-yl propanoate |
| 35219 |  NWN |
2 | C3 H4 Fe N2 Ni O | InChI=1S/2CN.CH3O.Fe.Ni.H /c3*1-2;;;/h;;2H,1H2;;;/q ;;;;+2;-1; ZUFDVORDBCYGRI-UHFFFAOYSA-N |
[H-]([Fe](CO)(C#N)C#N)[Ni+2]; [Ni++][H-] [Fe](CO)(C#N)C#N; [Ni+2][H-][Fe](C#N)(C# N)CO |
hydrido[hydridonickel(2+)]bis(hydrocyanato-1kappaC)(hydroxymethyl)iron |
| 35220 |  NWO ZINC000001712309 |
3 | C7 H14 O | InChI=1S/C7H14O/c1-6-3-2- 4-7(8)5-6/h6-8H,2-5H2,1H3 /t6-,7-/m0/s1; HTSABYAWKQAHBT-BQBZGAKWSA-N |
CC1CCCC(C1)O; CC1CC(O)CCC1; C[C@H]1CCC[C @@H](C1)O; C[C@H]1CCC[C@H](O)C1; C[CH]1C CC[CH](O)C1 |
(1S,3S)-3-methylcyclohexan-1-ol |
| 35221 |  NWP ZINC000040105632 |
2 | C9 H20 N2 O3 S | InChI=1S/C9H20N2O3S/c1-8( 2)10(4)15(12,13)11-5-6-14 -9(3)7-11/h8-9H,5-7H2,1-4 H3/t9-/m1/s1; XYVINBFQYYSZBX-SECBINFHSA-N |
CC(C)N(C)[S](=O)(=O)N1CCO[C@H](C)C1; CC1 CN(CCO1)S(=O)(=O)N(C)C(C)C; CC(C)N(C)[S] (=O)(=O)N1CCO[CH](C)C1; C[C@@H]1CN(CCO1) S(=O)(=O)N(C)C(C)C; N1(S(N(C(C)C)C)(=O)= O)CCOC(C)C1 |
(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide |
| 35222 |  NWQ CHEMBL519809 ZINC000001683110 |
1 | C11 H14 N6 O4 | InChI=1S/C11H14N6O4/c1-13 -10(20)7-5(18)6(19)11(21- 7)17-3-16-4-8(12)14-2-15- 9(4)17/h2-3,5-7,11,18-19H ,1H3,(H,13,20)(H2,12,14,1 5)/t5-,6+,7-,11+/m0/s1; PLYRYAHDNXANEG-QMWPFBOUSA-N |
CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c( N)ncnc23; CNC(=O)[C@@H]1[C@H]([C@H]([C@@ H](O1)n2cnc3c2ncnc3N)O)O; CNC(=O)[C@H]1O [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; CNC(=O)C1C(C(C(O1)n2cnc3c2ncnc3N)O)O |
(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
| 35223 |  NWR |
2 | C30 H36 Cl N3 O3 S2 | InChI=1S/C30H36ClN3O3S2/c 31-26-11-9-22(10-12-26)18 -27-30(37)34-15-3-4-25(19 -34)29(36)32-14-1-2-16-38 -20-23-5-7-24(8-6-23)21-3 9-17-13-28(35)33-27/h1-2, 5-12,25,27H,3-4,13-21H2,( H,32,36)(H,33,35)/b2-1+/t 25-,27-/m0/s1; PYZAWVLVOFYELK-DXKRRACBSA-N |
Clc1ccc(C[C@@H]2NC(=O)CCSCc3ccc(CSC/C=C/ CNC(=O)[C@H]4CCC[N@@](C4)C2=O)cc3)cc1; C lc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(= O)[CH]4CCC[N](C4)C2=O)cc3)cc1; c1cc2ccc1 CSCCC(=O)NC(C(=O)N3CCCC(C3)C(=O)NCC=CCSC 2)Cc4ccc(cc4)Cl; c1cc2ccc1CSCCC(=O)N[C@H ](C(=O)N3CCC[C@@H](C3)C(=O)NC/C=C/CSC2)C c4ccc(cc4)Cl |
(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione |
| 35224 |  NWS |
1 | C20 H26 Mo N10 O15 P2 S2 | InChI=1S/C20H26N10O12P2S2 .Mo.2H2O.O/c21-14-8-16(24 -3-23-14)30(4-25-8)19-11( 32)10(31)5(41-19)1-38-43( 34,35)42-44(36,37)39-2-6- 12(45)13(46)7-18(40-6)27- 15-9(26-7)17(33)29-20(22) 28-15;;;;/h3-7,10-11,18-1 9,26,31-32,45-46H,1-2H2,( H,34,35)(H,36,37)(H2,21,2 3,24)(H4,22,27,28,29,33); ;2*1H2;/q;+4;;;/p-4/t5-,6 -,7+,10-,11-,18-,19-;;;;/ m1..../s1; JFCKNKBKLSSQDE-NKWKRPJXSA-J |
NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(= O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O) n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7) C(=O)N1; NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@ H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H] ([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)C7=C3 S[Mo](O)(O)(=O)S7)C(=O)N1; c1nc(c2c(n1)n (cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C 5=C(C6C(O4)NC7=C(N6)C(=O)NC(=N7)N)S[Mo]( =O)(S5)(O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@ H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(= O)(O)OC[C@@H]4C5=C([C@H]6[C@@H](O4)NC7=C (N6)C(=O)NC(=N7)N)S[Mo](=O)(S5)(O)O)O)O) N |
Moco-AMP |
| 35225 |  NWT CHEMBL3764224 |
14 | C39 H52 F2 N6 O8 | InChI=1S/C39H52F2N6O8/c1- 4-5-6-7-13-33(48)43-28(19 -25-17-26(40)20-27(41)18- 25)34(49)44-29-22-55-39(5 4)32-16-23(2)21-47(32)36( 51)24(3)42-35(50)30-11-8- 9-14-45(30)38(53)31-12-10 -15-46(31)37(29)52/h7,13, 17-18,20,23-24,28-32H,4-6 ,8-12,14-16,19,21-22H2,1- 3H3,(H,42,50)(H,43,48)(H, 44,49)/t23-,24+,28+,29+,3 0+,31+,32+/m1/s1; BAEUBYUDIYWBPI-CSGPBTBZSA-N |
CCCCC=CC(=O)NC(Cc1cc(cc(c1)F)F)C(=O)NC2C OC(=O)C3CC(CN3C(=O)C(NC(=O)C4CCCCN4C(=O) C5CCCN5C2=O)C)C; CCCC/C=C/C(=O)N[C@@H](C c1cc(F)cc(F)c1)C(=O)N[C@H]2COC(=O)[C@@H] 3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]4 CCCCN4C(=O)[C@@H]5CCCN5C2=O; CCCC/C=C/C( =O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2C OC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O )[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C; CCCCC=CC(=O)N[CH](Cc1cc(F)cc(F)c1)C(=O) N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C )NC(=O)[CH]4CCCCN4C(=O)[CH]5CCCN5C2=O |
N-[(2S)-3-(3,5-difluorophenyl)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-1-oxopropan-2-yl]heptanamide |
| 35226 |  NWV CHEMBL4582670 ZINC000001000907 |
1 | C10 H11 N3 O2 | InChI=1S/C10H11N3O2/c1-13 -7-8(6-12-13)5-11-10(14)9 -3-2-4-15-9/h2-4,6-7H,5H2 ,1H3,(H,11,14); ZPCCCCZFCHPBOS-UHFFFAOYSA-N |
Cn1cc(cn1)CNC(=O)c2ccco2; Cn1cc(CNC(=O)c 2occc2)cn1; N(Cc1cn(C)nc1)C(=O)c2ccco2 |
N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide |
| 35227 |  NWW CHEMBL4778617 ZINC000005163032 |
1 | C10 H12 N6 O4 | InChI=1S/C10H12N6O4/c11-7 -3-9(14-1-13-7)16(2-15-3) 10-5(18)4(17)6(20-10)8(12 )19/h1-2,4-6,10,17-18H,(H 2,12,19)(H2,11,13,14)/t4- ,5+,6-,10+/m0/s1; BLMHAOGGJQDPLX-LKCKTBJASA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)C(=O)N)O)O)N; NC(=O)[C@H]1O[C@H]( [C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; NC(=O )[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc 23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)N) O)O)N |
(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide |
| 35228 |  NWX CHEMBL2016761 ZINC000084588056 |
1 | C12 H16 N5 O13 P3 | InChI=1S/C12H16N5O13P3/c1 3-4-12(8-2-1-6-11(14)15-5 -16-17(6)8)10(19)9(18)7(2 8-12)3-27-32(23,24)30-33( 25,26)29-31(20,21)22/h1-2 ,5,7,9-10,18-19H,3H2,(H,2 3,24)(H,25,26)(H2,14,15,1 6)(H2,20,21,22)/t7-,9-,10 -,12+/m1/s1; DFVPCNAMNAPBCX-LTGWCKQJSA-N |
Nc1ncnn2c1ccc2[C@@]3(O[C@H](CO[P](O)(=O) O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O )C#N; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)( =O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O )C#N; c1cc(n2c1c(ncn2)N)C3(C(C(C(O3)COP( =O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N; c1cc( n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](O 3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C#N |
[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; Remdesivir triphosphate |
| 35229 |  NWY ZINC000047556595 |
4 | C12 H16 N2 O | InChI=1S/C12H16N2O/c1-9-5 -6-10(7-13-9)8-14-12(15)1 1-3-2-4-11/h5-7,11H,2-4,8 H2,1H3,(H,14,15); SQKAEGRLXBUQKF-UHFFFAOYSA-N |
Cc1ccc(cn1)CNC(=O)C2CCC2; Cc1ccc(CNC(=O) C2CCC2)cn1; n2c(C)ccc(CNC(=O)C1CCC1)c2 |
N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide |
| 35230 |  NWZ ZINC000257269302 |
1 | C15 H21 N7 O4 | InChI=1S/C15H21N7O4/c16-1 2-8-13(19-5-18-12)22(6-20 -8)15-10(24)9(23)11(26-15 )14(25)21-7-1-3-17-4-2-7/ h5-7,9-11,15,17,23-24H,1- 4H2,(H,21,25)(H2,16,18,19 )/t9-,10+,11-,15+/m0/s1; MPKBIMHULNDLPU-BQVMBELUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O )C(=O)NC4CCNCC4; c1nc(c2c(n1)n(cn2)[C@H] 3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O )O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]([C@ @H](O)[C@H]3O)C(=O)NC4CCNCC4; c1nc(c2c(n 1)n(cn2)C3C(C(C(O3)C(=O)NC4CCNCC4)O)O)N |
(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide |
| 35231 |  NX0 |
2 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c1-2- 9(13)12-6-7-14-10-8(12)4- 3-5-11-10/h3-5H,2,6-7H2,1 H3; CLJYSIDDPHCCHD-UHFFFAOYSA-N |
CCC(=O)N1CCOc2ncccc12; CCC(=O)N1CCOc2c1c ccn2 |
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one; 1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor) |
| 35232 |  NX1 ZINC000095920679 |
1 | C12 H8 Br Cl O2 S2 | InChI=1S/C12H8BrClO2S2/c1 3-8-5-7(1-2-9(8)14)6-18-1 0-3-4-17-11(10)12(15)16/h 1-5H,6H2,(H,15,16); IRIFYVKSSQVSCC-UHFFFAOYSA-N |
O=C(O)c2sccc2SCc1cc(Br)c(Cl)cc1; c1cc(c( cc1CSc2ccsc2C(=O)O)Br)Cl; OC(=O)c1sccc1S Cc2ccc(Cl)c(Br)c2 |
3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
| 35233 |  NX2 CHEMBL1910886 ZINC000073129300 |
1 | C13 H11 Cl2 N O3 S3 | InChI=1S/C13H11Cl2NO3S3/c 1-22(18,19)16-13(17)12-11 (4-5-20-12)21-7-8-2-3-9(1 4)10(15)6-8/h2-6H,7H2,1H3 ,(H,16,17); WUCGCEYWGIIVMD-UHFFFAOYSA-N |
O=S(=O)(NC(=O)c2sccc2SCc1cc(Cl)c(Cl)cc1) C; CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2 )Cl)Cl; C[S](=O)(=O)NC(=O)c1sccc1SCc2ccc (Cl)c(Cl)c2 |
3-[(3,4-dichlorobenzyl)sulfanyl]-N-(methylsulfonyl)thiophene-2-carboxamide |
| 35234 |  NX3 CHEMBL1910888 ZINC000073129873 |
1 | C18 H14 Cl2 N2 O3 S3 | InChI=1S/C18H14Cl2N2O3S3/ c19-14-5-4-11(8-15(14)20) 10-27-16-6-7-26-17(16)18( 23)22-28(24,25)13-3-1-2-1 2(21)9-13/h1-9H,10,21H2,( H,22,23); FLQMGJTZJKTWPI-UHFFFAOYSA-N |
c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3c cc(c(c3)Cl)Cl)N; O=S(=O)(c1cc(N)ccc1)NC( =O)c3sccc3SCc2cc(Cl)c(Cl)cc2; Nc1cccc(c1 )[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl )c3 |
N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide |
| 35235 |  NX4 CHEMBL1910889 ZINC000073140965 |
1 | C20 H15 Cl2 N O6 S3 | InChI=1S/C20H15Cl2NO6S3/c 1-29-16-5-3-12(9-13(16)20 (25)26)32(27,28)23-19(24) 18-17(6-7-30-18)31-10-11- 2-4-14(21)15(22)8-11/h2-9 H,10H2,1H3,(H,23,24)(H,25 ,26); HBYORZQNJPQOQI-UHFFFAOYSA-N |
O=C(O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c3sccc3 SCc2cc(Cl)c(Cl)cc2; COc1ccc(cc1C(=O)O)S( =O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl ; COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2s ccc2SCc3ccc(Cl)c(Cl)c3 |
5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid |
| 35236 |  NX5 CHEMBL1910963 ZINC000006884503 |
1 | C14 H10 Cl2 O2 S | InChI=1S/C14H10Cl2O2S/c15 -11-6-5-9(7-12(11)16)8-19 -13-4-2-1-3-10(13)14(17)1 8/h1-7H,8H2,(H,17,18); FKRTWCFFXQWRCJ-UHFFFAOYSA-N |
OC(=O)c1ccccc1SCc2ccc(Cl)c(Cl)c2; Clc1cc c(cc1Cl)CSc2ccccc2C(=O)O; c1ccc(c(c1)C(= O)O)SCc2ccc(c(c2)Cl)Cl |
2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid |
| 35237 |  NX6 CHEMBL1222275 ZINC000001700285 |
7 | C12 H13 N O6 | InChI=1S/C12H13NO6/c14-10 (15)6-9(11(16)17)13-12(18 )19-7-8-4-2-1-3-5-8/h1-5, 9H,6-7H2,(H,13,18)(H,14,1 5)(H,16,17)/t9-/m0/s1; XYXYXSKSTZAEJW-VIFPVBQESA-N |
OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O; O= C(O)C(NC(=O)OCc1ccccc1)CC(=O)O; c1ccc(cc 1)COC(=O)NC(CC(=O)O)C(=O)O; OC(=O)C[CH]( NC(=O)OCc1ccccc1)C(O)=O; c1ccc(cc1)COC(= O)N[C@@H](CC(=O)O)C(=O)O |
N-[(benzyloxy)carbonyl]-L-aspartic acid |
| 35238 |  NX7 CHEMBL1450678 ZINC000000035148 |
11 | C11 H11 F2 N O | InChI=1S/C11H11F2NO/c12-8 -4-3-5-9(13)10(8)11(15)14 -6-1-2-7-14/h3-5H,1-2,6-7 H2; WKDBMZQECSVNDS-UHFFFAOYSA-N |
c1cc(c(c(c1)F)C(=O)N2CCCC2)F; Fc1cccc(F) c1C(=O)N2CCCC2; c1(cccc(c1C(=O)N2CCCC2)F )F |
(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone |
| 35239 |  NX8 CHEMBL5281978 ZINC000257293238 |
1 | C16 H23 N7 O4 | InChI=1S/C16H23N7O4/c17-1 3-9-14(21-6-20-13)23(7-22 -9)16-11(25)10(24)12(27-1 6)15(26)19-5-8-1-3-18-4-2 -8/h6-8,10-12,16,18,24-25 H,1-5H2,(H,19,26)(H2,17,2 0,21)/t10-,11+,12-,16+/m0 /s1; QORMXDVXCHKGRB-MEQWQQMJSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)C(=O)NCC4CCNCC4)O)O)N; Nc1ncnc2n( cnc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)C( =O)NCC4CCNCC4; c1nc(c2c(n1)n(cn2)C3C(C(C (O3)C(=O)NCC4CCNCC4)O)O)N; Nc1ncnc2n(cnc 12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCN CC4 |
(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide |
| 35240 |  NX9 |
1 | C11 H10 Cl N3 O | InChI=1S/C11H10ClN3O/c12- 9-3-1-2-8(4-9)5-11(16)15- 10-6-13-14-7-10/h1-4,6-7H ,5H2,(H,13,14)(H,15,16); SDKQWVALTYIIDW-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2c[nH]nc2; O=C(Cc1 cccc(Cl)c1)Nc1c[NH]nc1; Clc1cccc(CC(=O)N c2c[nH]nc2)c1 |
2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide |
| 35241 |  NXA |
3 | C4 H7 N O4 | InChI=1S/C4H7NO4/c1-2(3(6 )7)5-4(8)9/h2,5H,1H3,(H,6 ,7)(H,8,9)/t2-/m0/s1; JCVPWRQVQNVNGU-REOHCLBHSA-N |
C[CH](NC(O)=O)C(O)=O; CC(C(=O)O)NC(=O)O; O=C(O)C(NC(=O)O)C; C[C@H](NC(O)=O)C(O)= O; C[C@@H](C(=O)O)NC(=O)O |
N-CARBOXYALANINE |
| 35242 |  NXB |
1 | C11 H16 N6 O3 | InChI=1S/C11H16N6O3/c12-5 -2-20-6(9(19)8(5)18)1-17- 4-16-7-10(13)14-3-15-11(7 )17/h3-6,8-9,18-19H,1-2,1 2H2,(H2,13,14,15)/t5-,6-, 8-,9+/m1/s1; YFNWLMALNRKCLH-GCXDCGAKSA-N |
N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H]( O)[C@@H]1O; N[CH]1CO[CH](Cn2cnc3c(N)ncnc 23)[CH](O)[CH]1O; c1nc(c2c(n1)n(cn2)CC3C (C(C(CO3)N)O)O)N; c1nc(c2c(n1)n(cn2)C[C@ @H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N |
(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol |
| 35243 |  NXC |
4 | C23 H33 Cl N3 O5 P Pt | InChI=1S/C23H33N3O5P.ClH. Pt/c1-6-30-32(29,31-23-11 -9-22(10-12-23)26(27)28)1 3-7-8-19-14-20(17-24(2)3) 16-21(15-19)18-25(4)5;;/h 9-12,14-15H,6-8,13,17-18H 2,1-5H3;1H;/q;;+1/p-1/t32 -;;/m0../s1; LZKZTXFYNVLFNV-GDCSGTLQSA-M |
CCO[P](=O)(CCCc1cc2CN(C)(C)|[Pt]3(Cl)|N( C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O; CCO[P@@](=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([ N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O -]; CCOP(=O)(CCCc1cc2c3c(c1)C[N]([Pt]3([ N](C2)(C)C)Cl)(C)C)Oc4ccc(cc4)[N+](=O)[O -]; CCO[P@@](=O)(CCCc1cc2CN(C)(C)|[Pt]3( Cl)|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O- ])=O |
(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+); ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate |
| 35244 |  NXD CHEMBL1234863 ZINC000038191920 |
1 | C14 H23 N3 O10 | InChI=1S/C14H23N3O10/c1-5 (18)17-8-6(19)3-14(26-2,1 3(24)25)27-10(8)9(21)7(20 )4-16-12(23)11(15)22/h6-1 0,19-21H,3-4H2,1-2H3,(H2, 15,22)(H,16,23)(H,17,18)( H,24,25)/t6-,7+,8+,9+,10+ ,14+/m0/s1; KJWFCLCEUZUZFP-BYBVIHBISA-N |
CO[C]1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH] (O)[CH](O)CNC(=O)C(N)=O)C(O)=O; O=C(N)C( =O)NCC(O)C(O)C1OC(OC)(C(=O)O)CC(O)C1NC(= O)C; CC(=O)NC1C(CC(OC1C(C(CNC(=O)C(=O)N) O)O)(C(=O)O)OC)O; CC(=O)N[C@@H]1[C@H](C[ C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N) O)O)(C(=O)O)OC)O; CO[C@@]1(C[C@H](O)[C@@ H](NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CNC (=O)C(N)=O)C(O)=O |
methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid; METHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID; ALPHA METHYL -9-(AMINOOXALYL-AMINO)-9-DEOXYNEU5AC; OXAMIDO-NEU5AC; methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-D-galacto-non-2-ulosidonic acid; methyl 5-acetamido-9-{[amino(oxo)acetyl]amino}-3,5,9-trideoxy-D-glycero-galacto-non-2-ulosidonic acid |
| 35245 |  NXE |
4 | C6 H5 F3 N2 O2 | InChI=1S/C6H5F3N2O2/c1-3( 12)10-5-2-4(11-13-5)6(7,8 )9/h2H,1H3,(H,10,12); KKHMJANPVRFCAR-UHFFFAOYSA-N |
CC(=O)Nc1cc(no1)C(F)(F)F; CC(=O)Nc1onc(c 1)C(F)(F)F |
~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide |
| 35246 |  NXF CHEMBL5171494 |
1 | C26 H22 N6 O2 S | InChI=1S/C26H22N6O2S/c1-3 2-24(25-18(11-27)15-5-2-3 -7-22(15)35-25)19(13-29-3 2)14-9-16-20(12-28)30-31- 26(33)23(16)17(10-14)21-6 -4-8-34-21/h2-3,5,7,9-10, 13,21H,4,6,8,12,28H2,1H3, (H,31,33)/t21-/m1/s1; RXOUGZIIVASWRH-OAQYLSRUSA-N |
Cn1ncc(c2cc([CH]3CCCO3)c4C(=O)NN=C(CN)c4 c2)c1c5sc6ccccc6c5C#N; Cn1c(c(cn1)c2cc(c 3c(c2)C(=NNC3=O)CN)[C@H]4CCCO4)c5c(c6ccc cc6s5)C#N; NCC1=NNC(=O)c2c1cc(cc2C1CCCO1 )c1cnn(C)c1c1sc2ccccc2c1C#N; Cn1c(c(cn1) c2cc(c3c(c2)C(=NNC3=O)CN)C4CCCO4)c5c(c6c cccc6s5)C#N; Cn1ncc(c2cc([C@H]3CCCO3)c4C (=O)NN=C(CN)c4c2)c1c5sc6ccccc6c5C#N |
(2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile |
| 35247 |  NXG ZINC000095921234 |
2 | C19 H27 I N2 O2 | InChI=1S/C19H27IN2O2/c1-3 -22(4-2)17-7-9-21(10-8-17 )14-16-12-15(6-5-11-23)13 -18(20)19(16)24/h12-13,17 ,23-24H,3-4,7-11,14H2,1-2 H3; IDHNPNUDNMDQEU-UHFFFAOYSA-N |
CCN(CC)C1CCN(CC1)Cc2cc(cc(I)c2O)C#CCO; C CN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO; Ic 1c(O)c(cc(C#CCO)c1)CN2CCC(N(CC)CC)CC2 |
2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4-(3-HYDROXYPROP-1-YN-1-YL)-6-IODOPHENOL |
| 35248 |  NXH CHEMBL274957 |
4 | C9 H13 N3 O | InChI=1S/C9H13N3O/c1-7(2) 11-9(13)12-8-3-5-10-6-4-8 /h3-7H,1-2H3,(H2,10,11,12 ,13); JBFXVNVPMKLJIS-UHFFFAOYSA-N |
CC(C)NC(=O)Nc1ccncc1 | 1-propan-2-yl-3-pyridin-4-yl-urea |
| 35249 |  NXI |
1 | C11 H13 N3 O | InChI=1S/C11H13N3O/c1-2-1 1(15)12-6-8-3-4-10-9(5-8) 7-13-14-10/h3-5,7H,2,6H2, 1H3,(H,12,15)(H,13,14); QYEZEWINHDDRMN-UHFFFAOYSA-N |
CCC(=O)NCc1ccc2[nH]ncc2c1; CCC(=O)NCc1cc c2c(c1)cn[nH]2 |
~{N}-(1~{H}-indazol-5-ylmethyl)propanamide; N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor) |
| 35250 |  NXJ ZINC000178912411 |
3 | C12 H16 N2 O | InChI=1S/C12H16N2O/c1-12( 2)7-10(12)11(15)14(3)9-5- 4-6-13-8-9/h4-6,8,10H,7H2 ,1-3H3/t10-/m1/s1; TVMZQESCEGRMKC-SNVBAGLBSA-N |
CC1(CC1C(=O)N(C)c2cccnc2)C; n2cccc(N(C)C (=O)C1C(C1)(C)C)c2; CN(C(=O)[CH]1CC1(C)C )c2cccnc2; CN(C(=O)[C@H]1CC1(C)C)c2cccnc 2; CC1(C[C@@H]1C(=O)N(C)c2cccnc2)C |
(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide |
| 35251 |  NXK |
1 | C16 H15 B F N O6 | InChI=1S/C16H15BFNO6/c18- 12-4-5-13(14(7-12)25-9-15 (20)21)16(22)19-8-10-2-1- 3-11(6-10)17(23)24/h1-7,2 3-24H,8-9H2,(H,19,22)(H,2 0,21); ONNIFGAKNSCDLR-UHFFFAOYSA-N |
OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c 1; B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O) F)(O)O |
2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid; 2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
| 35252 |  NXL ZINC000098209247 |
146 | C7 H13 N3 O6 S | InChI=1S/C7H13N3O6S/c8-7( 12)6-2-1-5(3-10(6)4-11)9- 16-17(13,14)15/h4-6,9H,1- 3H2,(H2,8,12)(H,13,14,15) /t5-,6+/m1/s1; WJDGWXPPFHLLNL-RITPCOANSA-N |
O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O; C1CC( N(CC1NOS(=O)(=O)O)C=O)C(=O)N; NC(=O)[CH] 1CC[CH](CN1C=O)NO[S](O)(=O)=O; C1C[C@H]( N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N; NC(=O )[C@@H]1CC[C@H](CN1C=O)NO[S](O)(=O)=O |
(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide; avibactam, bound form; NXL104, bound form |
| 35253 |  NXM ZINC000045893383 |
0 | C11 H17 N3 O | InChI=1S/C11H17N3O/c1-2-9 (1)11-13-10(15-14-11)7-8- 3-5-12-6-4-8/h8-9,12H,1-7 H2; UMIHXIWIKFHJRW-UHFFFAOYSA-N |
n2c(CC1CCNCC1)onc2C3CC3; C1CC1c2nc(on2)C C3CCNCC3; C1CC(CCN1)Cc2onc(n2)C3CC3 |
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine |
| 35254 |  NXN ZINC000005889266 |
2 | C10 H11 Cl2 N O2 S | InChI=1S/C10H11Cl2NO2S/c1 1-7-1-2-9(8(12)5-7)15-6-1 0(14)13-3-4-16/h1-2,5,16H ,3-4,6H2,(H,13,14); ZKLFUOFLXGWIIY-UHFFFAOYSA-N |
SCCNC(=O)COc1ccc(Cl)cc1Cl; c1cc(c(cc1Cl) Cl)OCC(=O)NCCS; Clc1cc(Cl)ccc1OCC(=O)NCC S |
2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE; DICA |
| 35255 |  NXO CHEMBL5408087 |
2 | C19 H14 F N O3 S | InChI=1S/C19H14FNO3S/c20- 18-7-2-1-5-16(18)13-8-10- 14(11-9-13)17-6-3-4-15-12 -21-25(22,23)24-19(15)17/ h1-11,21H,12H2; ICOQPOKTWUAKMT-UHFFFAOYSA-N |
Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)O c34; c1ccc(c(c1)c2ccc(cc2)c3cccc4c3OS(=O )(=O)NC4)F |
8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide |
| 35256 |  NXP ZINC000098209248 |
1 | C18 H18 N6 O | InChI=1S/C18H18N6O/c1-11( 23-24-18(19)20)12-6-8-13( 9-7-12)22-17(25)15-10-21- 16-5-3-2-4-14(15)16/h2-10 ,21H,1H3,(H,22,25)(H4,19, 20,24)/b23-11+; BTFCNWPQBVODIL-FOKLQQMPSA-N |
O=C(c2c1ccccc1nc2)Nc3ccc(\C(=N\NC(=[N@H] )N)C)cc3; C/C(=N\NC(=N)N)/c1ccc(cc1)NC(= O)c2c[nH]c3c2cccc3; CC(=NNC(N)=N)c1ccc(N C(=O)c2c[nH]c3ccccc23)cc1; CC(=NNC(=N)N) c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3; CC(=N\ NC(N)=N)/c1ccc(NC(=O)c2c[nH]c3ccccc23)cc 1 |
N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE |
| 35257 |  NXQ |
1 | C17 H17 F N O5 S | InChI=1S/C17H17FNO5S/c1-2 5(23)13-4-2-3-11(7-13)9-1 9-17(22)14-6-5-12(18)8-15 (14)24-10-16(20)21/h2-8,2 3H,9-10H2,1H3,(H,19,22)(H ,20,21)/q-1; QWECZCOMCCHXGA-UHFFFAOYSA-N |
C[S-](c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O )F)O; C[S@-](O)c1cccc(CNC(=O)c2ccc(F)cc2 OCC(O)=O)c1; C[S-](O)c1cccc(CNC(=O)c2ccc (F)cc2OCC(O)=O)c1 |
2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid |
| 35258 |  NXR |
2 | C32 H34 N4 O2 S | InChI=1S/C32H34N4O2S/c37- 31(28-16-9-18-34-23-28)36 -29(20-25-10-3-1-4-11-25) 24-39-30(21-26-12-5-2-6-1 3-26)32(38)35-19-8-15-27- 14-7-17-33-22-27/h1-7,9-1 4,16-18,22-23,29-30H,8,15 ,19-21,24H2,(H,35,38)(H,3 6,37)/t29-,30+/m0/s1; CGXUDBVKADUBKA-XZWHSSHBSA-N |
O=C(NC(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCC c1cccnc1)c1cccnc1; c1ccc(cc1)CC(CSC(Cc2c cccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc4; O=C(NCCCc1cccnc1)[CH](Cc2ccccc2)SC[CH](C c3ccccc3)NC(=O)c4cccnc4; O=C(NCCCc1cccnc 1)[C@@H](Cc2ccccc2)SC[C@H](Cc3ccccc3)NC( =O)c4cccnc4; c1ccc(cc1)C[C@@H](CS[C@H](C c2ccccc2)C(=O)NCCCc3cccnc3)NC(=O)c4cccnc 4 |
N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide |
| 35259 |  NXS ZINC000000158945 |
2 | C10 H15 N3 O | InChI=1S/C10H15N3O/c14-8- 9-2-6-13(7-3-9)10-11-4-1- 5-12-10/h1,4-5,9,14H,2-3, 6-8H2; ZUNGTEUNVMHDIX-UHFFFAOYSA-N |
OCC1CCN(CC1)c2ncccn2; N2(c1ncccn1)CCC(CC 2)CO; c1cnc(nc1)N2CCC(CC2)CO |
[1-(pyrimidin-2-yl)piperidin-4-yl]methanol |
| 35260 |  NXT ZINC000076595345 |
5 | C9 H10 O3 | InChI=1S/C9H10O3/c10-9(11 )7-5-12-8-4-2-1-3-6(7)8/h 5H,1-4H2,(H,10,11); QQPMDRGNNFKVEL-UHFFFAOYSA-N |
c1c(c2c(o1)CCCC2)C(=O)O; OC(=O)c1coc2CCC Cc12 |
4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| 35261 |  NXU ZINC000098209249 |
2 | C19 H22 N2 O5 S | InChI=1S/C19H22N2O5S/c1-1 9(2)15(18(25)26)21-17(27- 19)12(9-22)20-16(24)14-11 -6-4-3-5-10(11)7-8-13(14) 23/h3-8,12,15,17,21-23H,9 H2,1-2H3,(H,20,24)(H,25,2 6)/t12-,15+,17-/m1/s1; BZLDRFAHCQLJIH-ISTRZQFTSA-N |
CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@@H](CO)NC (=O)c2c(O)ccc3ccccc23; CC1([C@@H](N[C@H] (S1)[C@@H](CO)NC(=O)c2c3ccccc3ccc2O)C(=O )O)C; O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3 c2ccccc2ccc3O; CC1(C(NC(S1)C(CO)NC(=O)c2 c3ccccc3ccc2O)C(=O)O)C; CC1(C)S[CH](N[CH ]1C(O)=O)[CH](CO)NC(=O)c2c(O)ccc3ccccc23 |
(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| 35262 |  NXV CHEMBL1910966 ZINC000073139326 |
1 | C18 H14 Cl2 O3 S | InChI=1S/C18H14Cl2O3S/c19 -15-7-5-13(9-16(15)20)11- 24-17-10-12(3-1-2-8-21)4- 6-14(17)18(22)23/h4-7,9-1 0,21H,2,8,11H2,(H,22,23); LYKDQGOGGHKHLP-UHFFFAOYSA-N |
Clc1ccc(cc1Cl)CSc2cc(C#CCCO)ccc2C(=O)O; c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl ; OCCC#Cc1ccc(C(O)=O)c(SCc2ccc(Cl)c(Cl)c 2)c1 |
2-[(3,4-dichlorobenzyl)sulfanyl]-4-(4-hydroxybut-1-yn-1-yl)benzoic acid |
| 35263 |  NXW ZINC000098209250 |
2 | C27 H25 Cl2 N3 O3 S | InChI=1S/C27H25Cl2N3O3S/c 1-30-11-12-31-16-26(33)32 -21-4-2-3-18(13-21)5-6-19 -7-9-22(27(34)35)25(15-19 )36-17-20-8-10-23(28)24(2 9)14-20/h2-4,7-10,13-15,3 0-31H,11-12,16-17H2,1H3,( H,32,33)(H,34,35); ZFBIDSCNZFTQMQ-UHFFFAOYSA-N |
Clc1ccc(cc1Cl)CSc3cc(C#Cc2cccc(NC(=O)CNC CNC)c2)ccc3C(=O)O; CNCCNCC(=O)Nc1cccc(c1 )C#Cc2ccc(C(O)=O)c(SCc3ccc(Cl)c(Cl)c3)c2 ; CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SC c3ccc(c(c3)Cl)Cl)C(=O)O |
2-[(3,4-dichlorobenzyl)sulfanyl]-4-{[3-({N-[2-(methylamino)ethyl]glycyl}amino)phenyl]ethynyl}benzoic acid |
| 35264 |  NXX DB04099 ZINC000008216447 |
0 | C21 H27 N6 O15 P2 | InChI=1S/C21H26N6O15P2/c2 2-17-12-18(24-7-23-17)27( 8-25-12)20-16(31)14(29)11 (41-20)6-39-44(36,37)42-4 3(34,35)38-5-10-13(28)15( 30)19(40-10)26-3-1-2-9(4- 26)21(32)33/h1-4,7-8,10-1 1,13-16,19-20,28-31H,5-6H 2,(H4-,22,23,24,32,33,34, 35,36,37)/p+1/t10-,11-,13 -,14-,15-,16-,19-,20-/m1/ s1; SENPVEZBRZQVST-HISDBWNOSA-O |
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H]( O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C @H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O )O)C(=O)O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H] (CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H ]([C@H](O)[C@@H]4O)[n+]5cccc(c5)C(O)=O)[ C@@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[ CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]( [CH](O)[CH]4O)[n+]5cccc(c5)C(O)=O)[CH](O )[CH]3O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O )(O)OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N )O)O)O)O)C(=O)O |
|
| 35265 |  NXY CHEMBL1403981 ZINC000003883136 |
4 | C12 H8 Cl2 O2 S2 | InChI=1S/C12H8Cl2O2S2/c13 -8-2-1-7(5-9(8)14)6-18-10 -3-4-17-11(10)12(15)16/h1 -5H,6H2,(H,15,16); UCHDVTOVFHVWOS-UHFFFAOYSA-N |
c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl; OC(=O)c 1sccc1SCc2ccc(Cl)c(Cl)c2; O=C(O)c2sccc2S Cc1cc(Cl)c(Cl)cc1 |
3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
| 35266 |  NXZ ZINC000095920847 |
2 | C19 H23 N5 O | InChI=1S/C19H23N5O/c20-15 -11-23(12-17(15)24-9-5-4- 8-19(24)25)18-10-16(21-13 -22-18)14-6-2-1-3-7-14/h1 -3,6-7,10,13,15,17H,4-5,8 -9,11-12,20H2/t15-,17-/m0 /s1; FHAABBQZMYZFKY-RDJZCZTQSA-N |
N[CH]1CN(C[CH]1N2CCCCC2=O)c3cc(ncn3)c4cc ccc4; O=C4N(C3CN(c2ncnc(c1ccccc1)c2)CC3N )CCCC4; N[C@H]1CN(C[C@@H]1N2CCCCC2=O)c3c c(ncn3)c4ccccc4; c1ccc(cc1)c2cc(ncn2)N3C C(C(C3)N4CCCCC4=O)N; c1ccc(cc1)c2cc(ncn2 )N3C[C@@H]([C@H](C3)N4CCCCC4=O)N |
1-[(3S,4S)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one |
| 35267 |  NY0 CHEMBL4784890 ZINC000007452880 |
1 | C11 H12 N2 O2 | InChI=1S/C11H12N2O2/c1-2- 11(15)13-7-10(14)12-8-5-3 -4-6-9(8)13/h3-6H,2,7H2,1 H3,(H,12,14); YCDLZRNCWDUXPK-UHFFFAOYSA-N |
CCC(=O)N1CC(=Nc2ccccc12)O; CCC(=O)N1CC(= Nc2c1cccc2)O |
1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one; 4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor) |
| 35268 |  NY1 ZINC000048326014 |
1 | C10 H14 N2 O2 S | InChI=1S/C10H14N2O2S/c1-8 -11-9(7-15-8)6-10(13)12-2 -4-14-5-3-12/h7H,2-6H2,1H 3; ZGUYZZRXRYNXNN-UHFFFAOYSA-N |
Cc1scc(CC(=O)N2CCOCC2)n1; n2c(CC(N1CCOCC 1)=O)csc2C; Cc1nc(cs1)CC(=O)N2CCOCC2 |
2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one |
| 35269 |  NY2 ZINC000004343613 |
8 | C9 H5 Br N6 O3 | InChI=1S/C9H5BrN6O3/c10-6 -8-11-1-4(3-15(8)14-9(6)1 7)7-5(16(18)19)2-12-13-7/ h1-3H,(H,12,13)(H,14,17); GPUSMPJXAIFKFV-UHFFFAOYSA-N |
O=[N+](c1c(nnc1)C2=CN3C(N=C2)=C(Br)C(=O) N3)[O-]; [O-][N+](=O)c1c[nH]nc1C2=CN3NC( =O)C(=C3N=C2)Br; c1c(c(n[nH]1)C2=CN3C(=C (C(=O)N3)Br)N=C2)[N+](=O)[O-] |
3-bromo-6-(4-nitro-1H-pyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2(1H)-one |
| 35270 |  NY3 CHEMBL4855805 |
2 | C27 H30 N4 O4 | InChI=1S/C27H30N4O4/c1-4- 31(5-2)21-9-10-22-18(3)23 (26(32)35-25(22)14-21)11- 12-34-27(33)29-15-19-7-6- 8-20(13-19)24-16-28-17-30 -24/h6-10,13-14,16-17H,4- 5,11-12,15H2,1-3H3,(H,28, 30)(H,29,33); WFSFODPKYFDLDK-UHFFFAOYSA-N |
CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCOC(=O)N Cc3cccc(c3)c4cnc[nH]4; CCN(CC)c1ccc2C(=C (CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2 c1)C |
2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
| 35271 |  NY4 ZINC000020282200 |
4 | C12 H16 N2 O | InChI=1S/C12H16N2O/c1-8(1 3)9-4-6-11(7-5-9)14-12(15 )10-2-3-10/h4-8,10H,2-3,1 3H2,1H3,(H,14,15)/t8-/m0/ s1; CELFORIQAQLUCB-QMMMGPOBSA-N |
C[C@H](N)c1ccc(NC(=O)C2CC2)cc1; NC(C)c1c cc(cc1)NC(=O)C2CC2; C[C@@H](c1ccc(cc1)NC (=O)C2CC2)N; CC(c1ccc(cc1)NC(=O)C2CC2)N; C[CH](N)c1ccc(NC(=O)C2CC2)cc1 |
N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
| 35272 |  NY5 ZINC000004219010 |
4 | C11 H12 O2 | InChI=1S/C11H12O2/c12-11( 13)10-6-5-8-3-1-2-4-9(8)7 -10/h5-7H,1-4H2,(H,12,13); RSWXAGBBPCRION-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)O)CCCC2; OC(=O)c1ccc2CCCC c2c1 |
5,6,7,8-tetrahydronaphthalene-2-carboxylic acid |
| 35273 |  NY6 CHEMBL4851449 |
2 | C27 H32 N6 O5 | InChI=1S/C27H32N6O5/c1-4- 31(5-2)18-6-7-19-17(3)20( 24(35)38-22(19)14-18)8-11 -33-25(36)27(30-26(33)37) 9-12-32(13-10-27)23(34)21 -15-28-16-29-21/h6-7,14-1 6H,4-5,8-13H2,1-3H3,(H,28 ,29)(H,30,37); RSEDTPABRZYZKU-UHFFFAOYSA-N |
CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C (=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C; CCN(CC )c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN (CC4)C(=O)c5cnc[nH]5)NC3=O |
3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
| 35274 |  NY7 ZINC000004201706 |
4 | C10 H14 N2 O2 | InChI=1S/C10H14N2O2/c1-7- 3-4-9(14-2)8(5-7)12-10(13 )6-11/h3-5H,6,11H2,1-2H3, (H,12,13); SRFLDWOWAGQZAD-UHFFFAOYSA-N |
Cc1ccc(c(c1)NC(=O)CN)OC; N(c1cc(ccc1OC)C )C(CN)=O; COc1ccc(C)cc1NC(=O)CN |
N-(2-methoxy-5-methylphenyl)glycinamide |
| 35275 |  NY8 CHEMBL5178765 |
3 | C31 H40 N6 O2 | InChI=1S/C31H40N6O2/c1-36 (2)15-7-14-32-31-34-27-20 -29(39-4)28(38-3)19-26(27 )30(35-31)33-25-12-16-37( 17-13-25)21-22-10-11-23-8 -5-6-9-24(23)18-22/h5-6,8 -11,18-20,25H,7,12-17,21H 2,1-4H3,(H2,32,33,34,35); UAQFERXHHSHKOB-UHFFFAOYSA-N |
CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc 4ccc5ccccc5c4)OC)OC; COc1cc2nc(NCCCN(C)C )nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC |
~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
| 35276 |  NY9 CHEMBL5203656 |
2 | C23 H28 N4 O3 | InChI=1S/C23H28N4O3/c1-4- 27(5-2)18-8-9-19-16(3)20( 22(28)30-21(19)13-18)10-1 2-25-23(29)26-15-17-7-6-1 1-24-14-17/h6-9,11,13-14H ,4-5,10,12,15H2,1-3H3,(H2 ,25,26,29); WLXNTQQMVXKPGD-UHFFFAOYSA-N |
CCN(CC)c1ccc2c(c1)OC(=O)C(CCNC(=O)NCc1cc cnc1)=C2C; CCN(CC)c1ccc2C(=C(CCNC(=O)NCc 3cccnc3)C(=O)Oc2c1)C; CCN(CC)c1ccc2c(c1) OC(=O)C(=C2C)CCNC(=O)NCc3cccnc3 |
N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea |
| 35277 |  NYA |
1 | C34 H50 O3 | InChI=1S/C34H50O3/c1-21(6 -11-32(37)34-18-24-13-25( 19-34)15-26(14-24)20-34)2 8-9-10-29-27(5-4-12-33(28 ,29)3)8-7-23-16-30(35)22( 2)31(36)17-23/h6-8,11,21, 24-26,28-32,35-37H,2,4-5, 9-10,12-20H2,1,3H3/b11-6+ ,27-8+/t21-,24-,25+,26-,2 8-,29+,30-,31-,32-,33-,34 -/m1/s1; XEQPVMGAXBNZAH-XMMQUESESA-N |
C[CH](C=C[CH](O)C12CC3CC(CC(C3)C1)C2)[CH ]4CC[CH]5C(CCC[C]45C)=CC=C6C[CH](O)C(=C) [CH](O)C6; C[C@H](/C=C/[C@@H](O)C12CC3CC (CC(C3)C1)C2)[C@H]4CC[C@H]5\C(CCC[C@]45C )=C\C=C/6C[C@@H](O)C(=C)[C@H](O)C/6; C[C @H](\C=C\[C@H](C12CC3CC(C1)CC(C3)C2)O)[C @H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C6C[C@H] (C(=C)[C@@H](C6)O)O)C; OC6/C(=C)C(O)CC(= C\C=C2\C1CCC(C1(C)CCC2)C(/C=C/C(O)C34CC5 CC(C3)CC(C4)C5)C)\C6; CC(C=CC(C12CC3CC(C 1)CC(C3)C2)O)C4CCC5C4(CCCC5=CC=C6CC(C(=C )C(C6)O)O)C |
(1R,3R,7E,17beta)-17-{(1R,2E,4R)-4-hydroxy-1-methyl-4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol |
| 35278 |  NYB |
0 | C8 H17 N O2 S | InChI=1S/C8H17NO2S/c1-4-6 (2)12-5-7(9-3)8(10)11/h6- 7,9H,4-5H2,1-3H3,(H,10,11 )/t6-,7+/m1/s1; UXCFOODULRZHMV-RQJHMYQMSA-N |
CC[C@@H](C)SC[C@H](NC)C(O)=O; CCC(C)SCC( C(=O)O)NC; CC[CH](C)SC[CH](NC)C(O)=O; O= C(O)C(NC)CSC(CC)C; CC[C@@H](C)SC[C@@H](C (=O)O)NC |
N-METHYL-S-[(1R)-1-METHYLPROPYL]-L-CYSTEINE |
| 35279 |  NYC DB03914 |
0 | C17 H18 N4 O4 | InChI=1S/C17H18N4O4/c1-9( 22)15(18)16-20-13(17(25)2 1(16)8-14(23)24)6-10-7-19 -12-5-3-2-4-11(10)12/h2-7 ,9,15,19,22H,8,18H2,1H3,( H,23,24)/b13-6-/t9-,15+/m 1/s1; COQNVMWLDCUFMG-HNGJRXCUSA-N |
C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3ccccc23) C(=O)N1CC(O)=O; C[C@@H](O)[C@H](N)C1=N\C (=C/c2c[nH]c3ccccc23)C(=O)N1CC(O)=O; O=C 1N(C(=N/C1=C\c3c2ccccc2nc3)C(N)C(O)C)CC( =O)O; CC(C(C1=NC(=Cc2c[nH]c3c2cccc3)C(=O )N1CC(=O)O)N)O; C[C@H]([C@@H](C1=N/C(=C\ c2c[nH]c3c2cccc3)/C(=O)N1CC(=O)O)N)O |
[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID |
| 35280 |  NYE CHEMBL1935084 ZINC000000336737 |
1 | C11 H9 N O2 | InChI=1S/C11H9NO2/c12-10- 6-8-4-2-1-3-7(8)5-9(10)11 (13)14/h1-6H,12H2,(H,13,1 4); XFXOLBNQYFRSLQ-UHFFFAOYSA-N |
c1ccc2cc(c(cc2c1)C(=O)O)N; Nc1cc2ccccc2c c1C(O)=O |
3-azanylnaphthalene-2-carboxylic acid |
| 35281 |  NYF |
2 | C34 H37 N5 O3 S | InChI=1S/C34H37N5O3S/c40- 32(24-38-33(41)29-16-9-18 -36-23-29)39-30(20-26-10- 3-1-4-11-26)25-43-31(21-2 7-12-5-2-6-13-27)34(42)37 -19-8-15-28-14-7-17-35-22 -28/h1-7,9-14,16-18,22-23 ,30-31H,8,15,19-21,24-25H 2,(H,37,42)(H,38,41)(H,39 ,40)/t30-,31+/m0/s1; LKJAHHMUSXXSAP-IOWSJCHKSA-N |
c1ccc(cc1)CC(CSC(Cc2ccccc2)C(=O)NCCCc3cc cnc3)NC(=O)CNC(=O)c4cccnc4; O=C(NCC(=O)N C(Cc1ccccc1)CSC(Cc1ccccc1)C(=O)NCCCc1ccc nc1)c1cccnc1; O=C(CNC(=O)c1cccnc1)N[CH]( CS[CH](Cc2ccccc2)C(=O)NCCCc3cccnc3)Cc4cc ccc4; O=C(CNC(=O)c1cccnc1)N[C@H](CS[C@H] (Cc2ccccc2)C(=O)NCCCc3cccnc3)Cc4ccccc4; c1ccc(cc1)C[C@@H](CS[C@H](Cc2ccccc2)C(=O )NCCCc3cccnc3)NC(=O)CNC(=O)c4cccnc4 |
N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide |
| 35282 |  NYG ZINC000058638798 |
0 | C15 H16 N4 O5 | InChI=1S/C15H16N4O5/c16-1 0(6-12(17)21)14-18-11(15( 24)19(14)7-13(22)23)5-8-1 -3-9(20)4-2-8/h1-5,10,20H ,6-7,16H2,(H2,17,21)(H,22 ,23)/b11-5-/t10-/m0/s1; PASGKYDMGFODGK-QIMWGGGBSA-N |
c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)N)N)CC (=O)O)O; O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O) O)=C\c2ccc(O)cc2; N[C@@H](CC(N)=O)C1=N\C (=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; N[CH](CC (N)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O ; c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC( =O)N)N)CC(=O)O)O |
[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID; CHROMOPHORE (ASN-TYR-GLY) |
| 35283 |  NYH ZINC000004528664 |
1 | C6 H9 N O2 | InChI=1S/C6H9NO2/c8-7(9)6 -4-2-1-3-5-6/h4H,1-3,5H2; DJBRXNRKYAWTBL-UHFFFAOYSA-N |
C1CCC(=CC1)[N+](=O)[O-]; [O-][N+](=O)C1= CCCCC1 |
1-nitrocyclohexene |
| 35284 |  NYI CHEMBL5171496 ZINC000036334279 |
0 | C11 H10 N2 O2 | InChI=1S/C11H10N2O2/c1-2- 11(15)13-7-10(14)12-8-5-3 -4-6-9(8)13/h2-6H,1,7H2,( H,12,14); JQTQCSOPRIYFTH-UHFFFAOYSA-N |
C=CC(=O)N1CC(=O)Nc2c1cccc2; C=CC(=O)N1CC (=O)Nc2ccccc12 |
4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one |
| 35285 |  NYJ ZINC000146075228 |
2 | C17 H15 N O | InChI=1S/C17H15NO/c1-11-7 -6-10-14-15(11)12(2)16(18 -17(14)19)13-8-4-3-5-9-13 /h3-10H,1-2H3,(H,18,19); GRSACGLQNOTJPL-UHFFFAOYSA-N |
O=C2c3cccc(c3C(=C(c1ccccc1)N2)C)C; Cc1cc cc2C(=O)NC(=C(C)c12)c3ccccc3; Cc1cccc2c1 C(=C(NC2=O)c3ccccc3)C |
4,5-dimethyl-3-phenylisoquinolin-1(2H)-one |
| 35286 |  NYK ZINC000000391502 |
1 | C10 H8 N2 O | InChI=1S/C10H8N2O/c11-6-5 -8-7-3-1-2-4-9(7)12-10(8) 13/h1-4,8H,5H2,(H,12,13)/ t8-/m0/s1; HGYKSFCCBATMSI-QMMMGPOBSA-N |
c1ccc2c(c1)[C@@H](C(=O)N2)CC#N; C(C#N)C1 C(Nc2ccccc12)=O; c1ccc2c(c1)C(C(=O)N2)CC #N; O=C1Nc2ccccc2[C@@H]1CC#N; O=C1Nc2ccc cc2[CH]1CC#N |
[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile |
| 35287 |  NYL CHEMBL1234871 DB02870 ZINC000012363587 |
1 | C9 H11 N | InChI=1S/C9H11N/c1-2-8-10 -9-6-4-3-5-7-9/h2-7,10H,1 ,8H2; LQFLWKPCQITJIH-UHFFFAOYSA-N |
C(=C)\CNc1ccccc1; C=CCNc1ccccc1 | N-ALLYL-ANILINE |
| 35288 |  NYM CHEMBL1160597 DB03233 ZINC000006069512 |
1 | C10 H16 N3 O7 P | InChI=1S/C10H16N3O7P/c1-5 -3-13(10(15)12-9(5)14)8-2 -6(11)7(20-8)4-19-21(16,1 7)18/h3,6-8H,2,4,11H2,1H3 ,(H,12,14,15)(H2,16,17,18 )/t6-,7+,8+/m0/s1; BQZMHQZNZNBJNF-XLPZGREQSA-N |
CC1=CN([C@H]2C[C@H](N)[C@@H](CO[P](O)(O) =O)O2)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC (C(O2)COP(=O)(O)O)N; O=C1NC(=O)N(C=C1C)C 2OC(C(N)C2)COP(=O)(O)O; CC1=CN(C(=O)NC1= O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N; CC1=CN([CH]2C[CH](N)[CH](CO[P](O)(O)=O)O 2)C(=O)NC1=O |
3'-DEOXY-3'-AMINOTHYMIDINE MONOPHOSPHATE; PHOSPHORIC ACID MONO-[3-AMINO-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER |
| 35289 |  NYN |
3 | C8 H16 N2 Ru S3 | InChI=1S/C6H12S3.C2H4N2.R u/c1-2-8-5-6-9-4-3-7-1;3- 1-2-4;/h1-6H2;1-2H2;/q;-2 ;-3; ZNOIBYRQMPADCX-UHFFFAOYSA-N |
C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3C C4 |
chlorido(1,2-diaminoethane-k2N,N')(1,4,7-trithiacyclononane-k3S,S',S'')ruthenium(II) trifluoromethanesulfonate |
| 35290 |  NYO |
2 | C26 H30 N6 O5 | InChI=1S/C26H30N6O5/c1-4- 30(5-2)17-6-7-18-16(3)19( 23(34)37-21(18)12-17)8-10 -32-24(35)26(29-25(32)36) 9-11-31(14-26)22(33)20-13 -27-15-28-20/h6-7,12-13,1 5H,4-5,8-11,14H2,1-3H3,(H ,27,28)(H,29,36)/t26-/m1/ s1; PPPMGHIAXOKKFC-AREMUKBSSA-N |
CCN(CC)c1ccc2c(c1)OC(=O)C(=C2C)CCN3C(=O) [C@]4(CCN(C4)C(=O)c5c[nH]cn5)NC3=O; CCN( CC)c1ccc2C(=C(CCN3C(=O)N[C@@]4(CCN(C4)C( =O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C; CCN(CC) c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5 c[nH]cn5)C3=O)C(=O)Oc2c1)C; CCN(CC)c1ccc 2c(c1)OC(=O)C(=C2C)CCN3C(=O)C4(CCN(C4)C( =O)c5c[nH]cn5)NC3=O |
(5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione |
| 35291 |  NYP ZINC000037866337 |
2 | C11 H18 N | InChI=1S/C11H18N/c1-3-9-1 2(2)10-11-7-5-4-6-8-11/h3 -5,9,11H,1,6-8,10H2,2H3/q +1/b12-9+/t11-/m1/s1; JBWDRSYKLIXPFB-LWMMSDEHSA-N |
C[N+](=CC=C)CC1CCC=CC1; C[N+](C[CH]1CCC= CC1)=CC=C; C\[N+](C[C@H]1CCC=CC1)=C/C=C; C(=[N+](/CC1CC=CCC1)C)\C=C; C/[N+](=C\C =C)/CC1CCC=CC1 |
N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM |
| 35292 |  NYQ ZINC000002565584 |
4 | C8 H6 Br N O | InChI=1S/C8H6BrNO/c9-6-1- 2-7-5(3-6)4-8(11)10-7/h1- 3H,4H2,(H,10,11); VIMNAEVMZXIKFL-UHFFFAOYSA-N |
Brc1ccc2NC(=O)Cc2c1; c1cc2c(cc1Br)CC(=O) N2 |
5-bromanyl-1,3-dihydroindol-2-one |
| 35293 |  NYR |
1 | C12 H12 Cl N3 O | InChI=1S/C12H12ClN3O/c1-8 -9(7-14-16-8)5-12(17)15-1 1-4-2-3-10(13)6-11/h2-4,6 -7H,5H2,1H3,(H,14,16)(H,1 5,17); BYGPKLOEYHRCEP-UHFFFAOYSA-N |
Cc1c(c[nH]n1)CC(=O)Nc2cccc(c2)Cl; O=C(Cc 1c[NH]nc1C)Nc1cccc(Cl)c1; Cc1n[nH]cc1CC( =O)Nc2cccc(Cl)c2 |
N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide |
| 35294 |  NYS |
0 | C11 H16 N2 O5 S | InChI=1S/C11H16N2O5S/c12- 3-8(15)5-1-7(14)10(16)9(2 -5)19-4-6(13)11(17)18/h1- 2,6,8,14-16H,3-4,12-13H2, (H,17,18)/t6-,8-/m0/s1; ZELSWMBFRRNKHX-XPUUQOCRSA-N |
NC[C@H](O)c1cc(O)c(O)c(SC[C@H](N)C(O)=O) c1; c1c(cc(c(c1O)O)SCC(C(=O)O)N)C(CN)O; NC[CH](O)c1cc(O)c(O)c(SC[CH](N)C(O)=O)c1 ; O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN; c1c( cc(c(c1O)O)SC[C@@H](C(=O)O)N)[C@H](CN)O |
S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine |
| 35295 |  NYT |
0 | C24 H42 O21 | InChI=1S/C24H42O21/c25-1- 8-12(30)16(34)17(35)21(41 -8)45-24(20(38)15(33)11(4 -28)44-24)7-40-23(19(37)1 4(32)10(3-27)43-23)6-39-2 2(5-29)18(36)13(31)9(2-26 )42-22/h8-21,25-38H,1-7H2 /t8-,9-,10-,11-,12-,13-,1 4-,15-,16+,17-,18+,19+,20 +,21-,22-,23-,24+/m1/s1; FLDFNEBHEXLZRX-DLQNOBSRSA-N |
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)COC3( C(C(C(O3)CO)O)O)COC4(C(C(C(O4)CO)O)O)CO) O)O)O)O; OC[C@H]1O[C@H](O[C@]2(CO[C@]3(C O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)O[ C@H](CO)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@ H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[ C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@] 3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([ C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O; OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO)O[CH ](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3 O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[ CH]1O |
beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside; Nystose |
| 35296 |  NYU CHEMBL1628190 ZINC000031391321 |
4 | C28 H37 N O3 | InChI=1S/C28H37NO3/c1-28- 17-24(18-4-8-21(9-5-18)32 -15-14-29(2)3)27-22-11-7- 20(30)16-19(22)6-10-23(27 )25(28)12-13-26(28)31/h4- 5,7-9,11,16,23-27,30-31H, 6,10,12-15,17H2,1-3H3/t23 -,24+,25-,26-,27+,28-/m0/ s1; VBPPJMXMMHJPDP-JZFZMOLRSA-N |
CN(C)CCOc1ccc(cc1)[CH]2C[C]3(C)[CH](O)CC [CH]3[CH]4CCc5cc(O)ccc5[CH]24; CN(C)CCOc 1ccc(cc1)C1CC2(C)C(CCC2O)C2CCc3cc(O)ccc3 C12; CN(C)CCOc1ccc(cc1)[C@H]2C[C@]3(C)[C @@H](O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@@H ]24; CC12CC(C3c4ccc(cc4CCC3C1CCC2O)O)c5c cc(cc5)OCCN(C)C; C[C@]12C[C@@H]([C@@H]3c 4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)c5cc c(cc5)OCCN(C)C |
11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol |
| 35297 |  NYV ZINC000083255308 |
4 | C6 H11 N3 O2 S | InChI=1S/C6H11N3O2S/c1-5( 2)9-3-6(8-4-9)12(7,10)11/ h3-5H,1-2H3,(H2,7,10,11); DEJLCHRMKBBNPV-UHFFFAOYSA-N |
CC(C)n1cnc(c1)[S](N)(=O)=O; CC(C)n1cc(nc 1)S(=O)(=O)N; n1(cnc(S(N)(=O)=O)c1)C(C)C |
1-(propan-2-yl)-1H-imidazole-4-sulfonamide |
| 35298 |  NYW CHEMBL4462911 |
1 | C11 H18 N6 O9 P2 | InChI=1S/C11H18N6O9P2/c12 -8-5-9(16-11(13)15-8)17(2 -14-5)10-7(19)6(18)4(26-1 0)1-25-28(23,24)3-27(20,2 1)22/h2,4,6-7,10,18-19H,1 ,3H2,(H,23,24)(H2,20,21,2 2)(H4,12,13,15,16)/t4-,6- ,7-,10-/m1/s1; YUBQMXICWXUXRX-KQYNXXCUSA-N |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(CP(=O)(O)O)O)O)O)N)N; Nc1nc( N)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)C[P](O )(O)=O)[C@@H](O)[C@H]3O)c2n1; c1nc2c(nc( nc2n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O )N)N; Nc1nc(N)c2ncn([CH]3O[CH](CO[P](O)( =O)C[P](O)(O)=O)[CH](O)[CH]3O)c2n1 |
[[(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 35299 |  NYX CHEMBL5187877 |
1 | C10 H10 Cl N3 O | InChI=1S/C10H10ClN3O/c11- 4-10(15)12-5-7-1-2-9-8(3- 7)6-13-14-9/h1-3,6H,4-5H2 ,(H,12,15)(H,13,14); ISIFBXASHNTXOY-UHFFFAOYSA-N |
ClCC(=O)NCc1ccc2[nH]ncc2c1; c1cc2c(cc1CN C(=O)CCl)cn[nH]2 |
2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide |
| 35300 |  NYZ CHEMBL4445938 |
1 | C11 H17 N5 O10 P2 | InChI=1S/C11H17N5O10P2/c1 2-8-5-9(15-11(19)14-8)16( 2-13-5)10-7(18)6(17)4(26- 10)1-25-28(23,24)3-27(20, 21)22/h2,4,6-7,10,17-18H, 1,3H2,(H,23,24)(H2,20,21, 22)(H3,12,14,15,19)/t4-,6 -,7-,10-/m1/s1; ZFKXMQLZXNYUBT-KQYNXXCUSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O )O)O)NC(=O)N=C2N; c1nc2c(n1[C@H]3[C@@H]( [C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O )NC(=O)N=C2N; NC1=NC(=O)Nc2n(cnc12)[C@@H ]3O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@H] (O)[C@H]3O; NC1=NC(=O)Nc2n(cnc12)[CH]3O[ CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH] 3O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 35301 |  NZ0 CHEMBL5279683 ZINC000584629571 |
2 | C13 H12 N6 O3 S | InChI=1S/C13H12N6O3S/c14- 23(21,22)13-11(12-16-18-1 9-17-12)10(5-6-15-13)9-3- 1-8(7-20)2-4-9/h1-6,20H,7 H2,(H2,14,21,22)(H,16,17, 18,19); ZLLPEJMJTQBWDI-UHFFFAOYSA-N |
N[S](=O)(=O)c1nccc(c2ccc(CO)cc2)c1c3n[nH ]nn3; c1cc(ccc1CO)c2ccnc(c2c3n[nH]nn3)S( =O)(=O)N; OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn 1)S(N)(=O)=O |
(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide |
| 35302 |  NZ1 CHEMBL4787720 ZINC000000323233 |
18 | C8 H8 N2 O S | InChI=1S/C8H8N2OS/c1-11-5 -2-3-7-6(4-5)10-8(9)12-7/ h2-4H,1H3,(H2,9,10); OMIHQJBWAPWLBO-UHFFFAOYSA-N |
Nc2sc1ccc(cc1n2)OC; COc1ccc2c(c1)nc(s2)N ; COc1ccc2sc(N)nc2c1 |
5-methoxy-1,3-benzothiazol-2-amine |
| 35303 |  NZ2 ZINC000005676613 |
5 | C10 H13 N O4 S | InChI=1S/C10H13NO4S/c1-8( 10(12)13)11(16(2,14)15)9- 6-4-3-5-7-9/h3-8H,1-2H3,( H,12,13)/t8-/m0/s1; RIWCJTAAIOCFTR-QMMMGPOBSA-N |
C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O; O= S(=O)(N(c1ccccc1)C(C(=O)O)C)C; C[C@@H](C (=O)O)N(c1ccccc1)S(=O)(=O)C; C[C@H](N(c1 ccccc1)[S](C)(=O)=O)C(O)=O; CC(C(=O)O)N( c1ccccc1)S(=O)(=O)C |
N-(methylsulfonyl)-N-phenyl-L-alanine |
| 35304 |  NZ3 ZINC000005677197 |
2 | C10 H13 N O4 S | InChI=1S/C10H13NO4S/c1-8( 10(12)13)11(16(2,14)15)9- 6-4-3-5-7-9/h3-8H,1-2H3,( H,12,13)/t8-/m1/s1; RIWCJTAAIOCFTR-MRVPVSSYSA-N |
C[CH](N(c1ccccc1)[S](C)(=O)=O)C(O)=O; C[ C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C; O=S(= O)(N(c1ccccc1)C(C(=O)O)C)C; CC(C(=O)O)N( c1ccccc1)S(=O)(=O)C; C[C@@H](N(c1ccccc1) [S](C)(=O)=O)C(O)=O |
N-(methylsulfonyl)-N-phenyl-D-alanine |
| 35305 |  NZ4 CHEMBL1584650 ZINC000000032414 |
5 | C13 H16 N2 O3 | InChI=1S/C13H16N2O3/c1-10 (16)11-3-2-4-12(9-11)14-1 3(17)15-5-7-18-8-6-15/h2- 4,9H,5-8H2,1H3,(H,14,17); GFGGXIIHWJXKMZ-UHFFFAOYSA-N |
CC(=O)c1cccc(c1)NC(=O)N2CCOCC2; N(c1cccc (c1)C(C)=O)C(N2CCOCC2)=O; CC(=O)c1cccc(N C(=O)N2CCOCC2)c1 |
N-(3-acetylphenyl)morpholine-4-carboxamide |
| 35306 |  NZ5 ZINC000002034660 |
3 | C4 H10 O2 | InChI=1S/C4H10O2/c1-2-4(6 )3-5/h4-6H,2-3H2,1H3/t4-/ m1/s1; BMRWNKZVCUKKSR-SCSAIBSYSA-N |
CC[C@H](CO)O; CC[CH](O)CO; CC[C@@H](O)CO ; CCC(CO)O |
(2~{R})-butane-1,2-diol |
| 35307 |  NZ6 |
1 | C27 H28 Cl N5 O | InChI=1S/C27H28ClN5O/c1-4 -22(34)32-14-27(15-32)11- 19(12-27)33-17(3)23(26(31 -33)18-8-6-5-7-9-18)24-20 -13-29-30-21(20)10-16(2)2 5(24)28/h5-10,13,19H,4,11 -12,14-15H2,1-3H3,(H,29,3 0); YRRYLCZNICDPLK-UHFFFAOYSA-N |
CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)c4ccccc 4)c5c6cn[nH]c6cc(c5Cl)C)C; CCC(=O)N1CC2( CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6 [nH]ncc56)C1 |
1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one; [6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor) |
| 35308 |  NZ7 ZINC000195188814 |
1 | C10 H18 N2 O3 | InChI=1S/C10H18N2O3/c1-11 (2)9(13)12-4-6-15-8-10(12 )3-5-14-7-10/h3-8H2,1-2H3 /t10-/m1/s1; RZCFMNWZMOAPRJ-SNVBAGLBSA-N |
N(C)(C)C(N2CCOCC21COCC1)=O; CN(C)C(=O)N1 CCOC[C]12CCOC2; CN(C)C(=O)N1CCOCC12CCOC2 ; CN(C)C(=O)N1CCOC[C@]12CCOC2 |
(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide |
| 35309 |  NZ8 CHEMBL4792974 |
1 | C25 H15 Cl F3 N5 O3 | InChI=1S/C25H15ClF3N5O3/c 26-19-5-3-14(12-18(19)25( 27,28)29)32-24(36)33-15-4 -6-20-21(13-15)37-22-17(2 -1-9-31-22)23(35)34(20)16 -7-10-30-11-8-16/h1-13H,( H2,32,33,36); NQHGDUGVQSAKOR-UHFFFAOYSA-N |
FC(F)(F)c1cc(NC(=O)Nc2ccc3N(C(=O)c4cccnc 4Oc3c2)c5ccncc5)ccc1Cl; c1cc2c(nc1)Oc3cc (ccc3N(C2=O)c4ccncc4)NC(=O)Nc5ccc(c(c5)C (F)(F)F)Cl |
1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea |
| 35310 |  NZ9 ZINC000009494329 |
8 | C8 H9 N O4 S2 | InChI=1S/C8H9NO4S2/c10-8( 11)7-6(3-4-14-7)15(12,13) 9-5-1-2-5/h3-5,9H,1-2H2,( H,10,11); LMYZTCQLGNOUQX-UHFFFAOYSA-N |
O=S(=O)(c1c(scc1)C(=O)O)NC2CC2; c1csc(c1 S(=O)(=O)NC2CC2)C(=O)O; OC(=O)c1sccc1[S] (=O)(=O)NC2CC2 |
3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid |
| 35311 |  NZA CHEMBL370152 ZINC000001492396 |
8 | C22 H15 Cl2 N O2 S | InChI=1S/C22H15Cl2NO2S/c2 3-15-8-6-14(7-9-15)13-25- 19-11-10-16(24)12-18(19)2 1(20(25)22(26)27)28-17-4- 2-1-3-5-17/h1-12H,13H2,(H ,26,27); VUPOTURDKDMIGQ-UHFFFAOYSA-N |
OC(=O)c1n(Cc2ccc(Cl)cc2)c3ccc(Cl)cc3c1Sc 4ccccc4; Clc1ccc(cc1)Cn4c2ccc(Cl)cc2c(Sc 3ccccc3)c4C(=O)O; c1ccc(cc1)Sc2c3cc(ccc3 n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl |
5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID; NTZDPA |
| 35312 |  NZB |
1 | C23 H23 F N4 O | InChI=1S/C23H23FN4O/c1-28 (2)15-22-20-12-17(5-8-21( 20)26-27-22)19-7-6-18(24) 13-23(19)29-11-9-16-4-3-1 0-25-14-16/h3-8,10,12-14H ,9,11,15H2,1-2H3,(H,26,27 ); RNWBRNZKOWMEPZ-UHFFFAOYSA-N |
CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4 cccnc4; CN(C)Cc1c2cc(ccc2n[nH]1)c3ccc(cc 3OCCc4cccnc4)F |
[(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine; 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
| 35313 |  NZC ZINC000002389623 |
0 | C5 H11 N O3 | InChI=1S/C5H11NO3/c1-3(7) 4(6-2)5(8)9/h3-4,6-7H,1-2 H3,(H,8,9)/t3-,4+/m1/s1; CCAIIPMIAFGKSI-DMTCNVIQSA-N |
CC(C(C(=O)O)NC)O; CN[C@@H]([C@@H](C)O)C( O)=O; CN[CH]([CH](C)O)C(O)=O; C[C@H]([C@ @H](C(=O)O)NC)O; O=C(O)C(NC)C(O)C |
N-methylidene-L-threonine |
| 35314 |  NZD CHEMBL1622367 ZINC000000236021 |
7 | C12 H17 N3 O | InChI=1S/C12H17N3O/c1-14- 7-9-15(10-8-14)12(16)13-1 1-5-3-2-4-6-11/h2-6H,7-10 H2,1H3,(H,13,16); SXNAOFHNRSEHNL-UHFFFAOYSA-N |
CN1CCN(CC1)C(=O)Nc2ccccc2; N1(CCN(CC1)C( Nc2ccccc2)=O)C |
4-methyl-N-phenylpiperazine-1-carboxamide |
| 35315 |  NZE |
3 | C21 H22 F N5 O | InChI=1S/C21H22FN5O/c1-26 (2)13-20-18-11-15(3-6-19( 18)24-25-20)17-5-4-16(22) 12-21(17)28-10-9-27-8-7-2 3-14-27/h3-8,11-12,14H,9- 10,13H2,1-2H3,(H,24,25); YRWJVRAKMIULHA-UHFFFAOYSA-N |
CN(C)Cc1c2cc(ccc2[nH]n1)c3ccc(cc3OCCn4cc nc4)F; CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)c c3OCCn4ccnc4 |
[(5-{4-fluoro-2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine; 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
| 35316 |  NZF CHEMBL2023556 ZINC000072318204 |
1 | C27 H30 F3 N5 O5 | InChI=1S/C27H30F3N5O5/c1- 37-21-13-19(14-22(38-2)24 (21)39-3)33-26-31-10-9-23 (34-26)35-11-5-7-18(16-35 )25(36)32-15-17-6-4-8-20( 12-17)40-27(28,29)30/h4,6 ,8-10,12-14,18H,5,7,11,15 -16H2,1-3H3,(H,32,36)(H,3 1,33,34)/t18-/m0/s1; LDRVTAIULYJYRP-SFHVURJKSA-N |
COc1cc(Nc2nccc(n2)N3CCC[CH](C3)C(=O)NCc4 cccc(OC(F)(F)F)c4)cc(OC)c1OC; COc1cc(Nc2 nccc(n2)N3CCC[C@@H](C3)C(=O)NCc4cccc(OC( F)(F)F)c4)cc(OC)c1OC; COc1cc(cc(c1OC)OC) Nc2nccc(n2)N3CCCC(C3)C(=O)NCc4cccc(c4)OC (F)(F)F; COc1cc(cc(c1OC)OC)Nc2nccc(n2)N3 CCC[C@@H](C3)C(=O)NCc4cccc(c4)OC(F)(F)F; FC(F)(F)Oc1cccc(c1)CNC(=O)C4CCCN(c2nc(n cc2)Nc3cc(OC)c(OC)c(OC)c3)C4 |
(3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide |
| 35317 |  NZG ZINC000037500399 |
2 | C9 H8 F N O3 | InChI=1S/C9H8FNO3/c1-5(12 )11-8-4-6(9(13)14)2-3-7(8 )10/h2-4H,1H3,(H,11,12)(H ,13,14); VOLGFCKUDWAJQS-UHFFFAOYSA-N |
CC(=O)Nc1cc(ccc1F)C(=O)O; N(C(C)=O)c1cc( C(O)=O)ccc1F; CC(=O)Nc1cc(ccc1F)C(O)=O |
3-(acetylamino)-4-fluorobenzoic acid |
| 35318 |  NZH DB02528 ZINC000058638991 |
0 | C7 H9 N7 O | InChI=1S/C7H9N7O/c8-5(3-1 5)1-6-2-14(4-9-6)7-10-12- 13-11-7/h2-5H,1,8H2,(H,10 ,11,12,13)/t5-/m0/s1; OOFNCFXOGMDAEN-YFKPBYRVSA-N |
N[CH](Cc1cn(cn1)c2[nH]nnn2)C=O; O=CC(N)C c2ncn(c1nnnn1)c2; N[C@@H](Cc1cn(cn1)c2[n H]nnn2)C=O; c1c(ncn1c2[nH]nnn2)C[C@@H](C =O)N; c1c(ncn1c2[nH]nnn2)CC(C=O)N |
(2S)-2-AMINO-3-[1-(1H-TETRAAZOL-5-YL)-1H-IMIDAZOL-4-YL]PROPANAL; TETRAZOLYL HISTIDINE |
| 35319 |  NZI |
1 | C12 H17 N2 O13 P3 | InChI=1S/C12H17N2O13P3/c1 5-9-5-11(14-8-4-2-1-3-7(8 )13-12(14)16)25-10(9)6-24 -29(20,21)27-30(22,23)26- 28(17,18)19/h1-4,9-11,15H ,5-6H2,(H,13,16)(H,20,21) (H,22,23)(H2,17,18,19)/t9 -,10+,11+/m0/s1; OMCWLYQAPHJDBD-HBNTYKKESA-N |
c1ccc2c(c1)NC(=O)N2[C@H]3C[C@@H]([C@H](O 3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O; O[C@H ]1C[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O )O[P](O)(O)=O)N2C(=O)Nc3ccccc23; c1ccc2c (c1)NC(=O)N2C3CC(C(O3)COP(=O)(O)OP(=O)(O )OP(=O)(O)O)O; O[CH]1C[CH](O[CH]1CO[P](O )(=O)O[P](O)(=O)O[P](O)(O)=O)N2C(=O)Nc3c cccc23 |
[(2~{R},3~{S},5~{R})-3-oxidanyl-5-(2-oxidanylidene-3~{H}-benzimidazol-1-yl)oxolan-2-yl]methyl [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate |
| 35320 |  NZJ ZINC000000255976 |
9 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-10 -3-2-4-12(9-10)14(18)16-7 -5-11(6-8-16)13(15)17/h2- 4,9,11H,5-8H2,1H3,(H2,15, 17); VSYPROQBASLXDK-UHFFFAOYSA-N |
N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O; Cc1c ccc(c1)C(=O)N2CCC(CC2)C(N)=O; Cc1cccc(c1 )C(=O)N2CCC(CC2)C(=O)N |
1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide |
| 35321 |  NZK |
1 | C17 H20 N4 O2 | InChI=1S/C17H20N4O2/c1-13 (22)21-8-6-20(7-9-21)12-1 7(23)19-16-11-18-10-14-4- 2-3-5-15(14)16/h2-5,10-11 H,6-9,12H2,1H3,(H,19,23); SIFMSWJDYLFFPS-UHFFFAOYSA-N |
O=C(CN1CCN(CC1)C(C)=O)Nc1cncc2ccccc21; C C(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3; CC (=O)N1CCN(CC1)CC(=O)Nc2cncc3ccccc23 |
2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide |
| 35322 |  NZL ZINC000095920905 |
8 | C24 H28 N2 O5 | InChI=1S/C24H28N2O5/c25-1 1-5-1-2-8-21(27)26-19-13- 15-6-3-4-7-17(15)18(19)12 -16-9-10-20-23(31-14-30-2 0)22(16)24(28)29/h3-4,6-7 ,9-10,18-19H,1-2,5,8,11-1 4,25H2,(H,26,27)(H,28,29) /t18-,19-/m0/s1; SSXWUTMSZZTPIE-OALUTQOASA-N |
c1ccc2c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)N C(=O)CCCCCN; c1ccc2c(c1)C[C@@H]([C@H]2Cc 3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN; NCCCC CC(=O)N[C@H]1Cc2ccccc2[C@@H]1Cc3ccc4OCOc 4c3C(O)=O; O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc 4c3C(=O)O)CCCCCN; NCCCCCC(=O)N[CH]1Cc2cc ccc2[CH]1Cc3ccc4OCOc4c3C(O)=O |
5-[[(1S,2S)-2-(6-azanylhexanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid |
| 35323 |  NZM |
2 | C16 H17 N5 O7 S2 | InChI=1S/C16H17N5O7S2/c1- 2-7-5-29-14(20-11(7)15(26 )27)8(3-22)18-13(25)12(21 -28-4-10(23)24)9-6-30-16( 17)19-9/h2-3,6,8,14,20H,1 ,4-5H2,(H2,17,19)(H,18,25 )(H,23,24)(H,26,27)/b21-1 2-/t8-,14-/m1/s1; LIFBJXSMIMSLKH-VSOMHRBSSA-N |
C=CC1=C(NC(SC1)C(C=O)NC(=O)C(=NOCC(=O)O) c2csc(n2)N)C(=O)O; C=CC1=C(N[C@H](SC1)[C @@H](C=O)NC(=O)/C(=N\OCC(=O)O)/c2csc(n2) N)C(=O)O; Nc1scc(n1)C(=NOCC(O)=O)C(=O)N[ CH](C=O)[CH]2NC(=C(CS2)C=C)C(O)=O; Nc1sc c(n1)/C(=N/OCC(O)=O)C(=O)N[C@H](C=O)[C@@ H]2NC(=C(CS2)C=C)C(O)=O; OC(=O)CO\N=C(/C (=O)NC(C=O)C1SCC(=C(N1)C(O)=O)[C@H]=C)c2 csc(N)n2 |
cefixime, bound form |
| 35324 |  NZN ZINC000584905639 |
1 | C16 H26 N4 O3 | InChI=1S/C16H26N4O3/c1-2- 17-14(21)9-10-15(22)18-13 -11-16(23)19-20(13)12-7-5 -3-4-6-8-12/h11-12H,2-10H 2,1H3,(H,17,21)(H,18,22)( H,19,23); LPNCMHPJRSJOIM-UHFFFAOYSA-N |
CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2; O =C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O |
N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide |
| 35325 |  NZO CHEMBL9514 DB08313 ZINC000000056509 |
3 | C14 H11 N3 O3 S | InChI=1S/C14H11N3O3S/c1-2 0-14(19)17-13-15-9-5-4-8( 7-10(9)16-13)12(18)11-3-2 -6-21-11/h2-7H,1H3,(H2,15 ,16,17,19); KYRVNWMVYQXFEU-UHFFFAOYSA-N |
O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3; C OC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3; C OC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3 |
nocodazole; methyl [6-(thiophen-2-ylcarbonyl)-1H-benzimidazol-2-yl]carbamate |
| 35326 |  NZQ DB02319 ZINC000098209251 |
4 | C21 H32 N7 O19 P3 | InChI=1S/C21H32N7O19P3/c2 2-16-11-18(25-5-24-16)28( 6-26-11)21-15(46-48(35,36 )37)13(31)10(45-21)4-43-5 0(40,41)47-49(38,39)42-3- 9-12(30)14(32)20(44-9)27- 2-7(17(23)33)1-8(29)19(27 )34/h2,5-6,8-10,12-15,19- 21,29-32,34H,1,3-4H2,(H2, 23,33)(H,38,39)(H,40,41)( H2,22,24,25)(H2,35,36,37) /t8-,9+,10+,12+,13+,14+,1 5+,19-,20+,21+/m0/s1; LRAVAOPKUBJONV-IVCJQJMGSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)N5C=C(CC(C5O)O)C(=O )N)O)O)O)OP(=O)(O)O)N; c1nc(c2c(n1)n(cn2 )[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O) (O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@ @H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O )O)O)OP(=O)(O)O)N; NC(=O)C1=CN([CH](O)[C H](O)C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(= O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O) n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=O)C1 =CN([C@@H](O)[C@@H](O)C1)[C@@H]2O[C@H](C O[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]( [C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)nc nc45)[C@@H](O)[C@H]2O |
5,6-DIHYDROXY-NADP |
| 35327 |  NZR CHEMBL5284444 ZINC000584611629 |
3 | C14 H13 N5 O2 S | InChI=1S/C14H13N5O2S/c1-9 -5-7-10(8-6-9)11-3-2-4-12 (22(15,20)21)13(11)14-16- 18-19-17-14/h2-8H,1H3,(H2 ,15,20,21)(H,16,17,18,19); JNVRWMYBFOXGPS-UHFFFAOYSA-N |
Cc1ccc(cc1)c1cccc(c1c1n[NH]nn1)S(N)(=O)= O; Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)[S](N) (=O)=O; Cc1ccc(cc1)c2cccc(c2c3n[nH]nn3)S (=O)(=O)N |
(2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
| 35328 |  NZS CHEMBL1234877 ZINC000058649801 |
1 | C17 H20 N6 O3 S | InChI=1S/C17H20N6O3S/c1-2 2-16-14(11-18-22)15(19-12 -4-3-5-13(10-12)26-2)20-1 7(21-16)23-6-8-27(24,25)9 -7-23/h3-5,10-11H,6-9H2,1 -2H3,(H,19,20,21); IDYJWHSIWMIDKD-UHFFFAOYSA-N |
O=S4(=O)CCN(c2nc(Nc1cccc(OC)c1)c3cnn(c3n 2)C)CC4; Cn1c2c(cn1)c(nc(n2)N3CCS(=O)(=O )CC3)Nc4cccc(c4)OC; COc1cccc(Nc2nc(nc3n( C)ncc23)N4CC[S](=O)(=O)CC4)c1 |
6-(1,1-dioxidothiomorpholin-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 35329 |  NZT CHEMBL5190040 ZINC000095920803 |
4 | C24 H22 N6 O3 S | InChI=1S/C24H22N6O3S/c31- 24(30-15-13-29(14-16-30)2 2-17-25-11-12-26-22)19-6- 8-20(9-7-19)28-34(32,33)2 1-5-1-3-18-4-2-10-27-23(1 8)21/h1-12,17,28H,13-16H2; BNGHGURIVRPDJB-UHFFFAOYSA-N |
O=C(c3ccc(NS(=O)(=O)c2c1ncccc1ccc2)cc3)N 5CCN(c4nccnc4)CC5; c1cc2cccnc2c(c1)S(=O) (=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5; O=C(N1CCN(CC1)c2cnccn2)c3ccc(N[S](=O)(=O )c4cccc5cccnc45)cc3 |
N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide |
| 35330 |  NZU CHEMBL1234878 ZINC000058649803 |
1 | C17 H19 N7 O2 S | InChI=1S/C17H19N7O2S/c1-2 4-17-13(10-20-24)15(18-7- 4-8-27(2,25)26)21-16(22-1 7)11-5-3-6-14-12(11)9-19- 23-14/h3,5-6,9-10H,4,7-8H 2,1-2H3,(H,19,23)(H,18,21 ,22); YZTXAMRYFBNCHP-UHFFFAOYSA-N |
Cn1c2c(cn1)c(nc(n2)c3cccc4c3c[nH]n4)NCCC S(=O)(=O)C; O=S(=O)(C)CCCNc1nc(nc2c1cnn2 C)c3cccc4nncc34; Cn1ncc2c(NCCC[S](C)(=O) =O)nc(nc12)c3cccc4n[nH]cc34 |
6-(2H-indazol-4-yl)-1-methyl-N-[3-(methylsulfonyl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 35331 |  NZV |
1 | C18 H20 N8 O8 S3 | InChI=1S/C18H20N8O8S3/c1- 26-18(23-12(28)13(29)24-2 6)37-4-6-3-35-14(22-8(6)1 5(30)31)10(16(32)33)21-11 (27)9(25-34-2)7-5-36-17(1 9)20-7/h5,10,14,22H,3-4H2 ,1-2H3,(H2,19,20)(H,21,27 )(H,24,29)(H,30,31)(H,32, 33)/b25-9-/t10-,14+/m0/s1; DQDUICUGMZVNPK-KQSJCSLWSA-N |
CON=C(C(=O)N[CH]([CH]1NC(=C(CS1)CSC2=NC( =O)C(=O)NN2C)C(O)=O)C(O)=O)c3csc(N)n3; C O\N=C(/C(=O)N[C@@H]([C@@H]1NC(=C(CS1)CSC 2=NC(=O)C(=O)NN2C)C(O)=O)C(O)=O)c3csc(N) n3; O=C(/C(c1csc(N)n1)=N\OC)NC(C(O)=O)C2 SCC(=C(N2)C(O)=O)CSC=3N(NC(C(N=3)=O)=O)C ; CN1C(=NC(=O)C(=O)N1)SCC2=C(N[C@H](SC2) [C@@H](C(=O)O)NC(=O)/C(=N\OC)/c3csc(n3)N )C(=O)O; CN1C(=NC(=O)C(=O)N1)SCC2=C(NC(S C2)C(C(=O)O)NC(=O)C(=NOC)c3csc(n3)N)C(=O )O |
ceftriaxone, bound form |
| 35332 |  NZW |
2 | C26 H28 N4 O4 | InChI=1S/C26H28N4O4/c1-17 (18-9-12-20(34-2)13-10-18 )28-26(33)23-8-5-15-30(23 )24(31)16-27-25(32)22-14- 11-19-6-3-4-7-21(19)29-22 /h3-4,6-7,9-14,17,23H,5,8 ,15-16H2,1-2H3,(H,27,32)( H,28,33)/t17-,23-/m0/s1; IDGCNZPXOHCQRJ-SBUREZEXSA-N |
C[C@@H](c1ccc(cc1)OC)NC(=O)[C@@H]2CCCN2C (=O)CNC(=O)c3ccc4ccccc4n3; COc1ccc(cc1)[ CH](C)NC(=O)[CH]2CCCN2C(=O)CNC(=O)c3ccc4 ccccc4n3; COc1ccc(cc1)[C@H](C)NC(=O)[C@@ H]2CCCN2C(=O)CNC(=O)c3ccc4ccccc4n3; CC(c 1ccc(cc1)OC)NC(=O)C2CCCN2C(=O)CNC(=O)c3c cc4ccccc4n3 |
~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide |
| 35333 |  NZX |
2 | C27 H35 N5 O | InChI=1S/C27H35N5O/c1-4-2 3(33)31-15-27(16-31)12-20 (13-27)32-18(3)25(26(30-3 2)19-8-6-5-7-9-19)24-17(2 )10-11-22-21(24)14-28-29- 22/h10-11,14,19-20H,4-9,1 2-13,15-16H2,1-3H3,(H,28, 29); HIPMOJFZOLBRKR-UHFFFAOYSA-N |
CCC(=O)N1CC2(C1)CC(C2)n3c(c(c(n3)C4CCCCC 4)c5c(ccc6c5cn[nH]6)C)C; CCC(=O)N1CC2(CC (C2)n3nc(C4CCCCC4)c(c3C)c5c(C)ccc6[nH]nc c56)C1 |
1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one; 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1H-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor) |
| 35334 |  NZY |
0 | C14 H25 N O10 | InChI=1S/C14H25NO10/c1-6( 17)15-7-3-24-9(11(19)10(7 )18)4-23-5-14(22)13(21)12 (20)8(2-16)25-14/h7-13,16 ,18-22H,2-5H2,1H3,(H,15,1 7)/t7-,8+,9+,10+,11+,12+, 13-,14-/m0/s1; IKYIELAFHGQHPE-VWPLANBASA-N |
C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(C O)O2)O)O; CC(=O)NC1COC(C(C1O)O)COCC2(C(C (C(O2)CO)O)O)O; CC(=O)N[C@H]1CO[C@H](COC [C@]2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@ H](O)[C@@H]1O; CC(=O)N[CH]1CO[CH](COC[C] 2(O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH]1O ; CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O )COC[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O |
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
| 35335 |  NZZ CHEMBL452683 ZINC000012405252 |
1 | C10 H18 O | InChI=1S/C10H18O/c1-9(2)5 -4-6-10(3)7-8-11/h5,7,11H ,4,6,8H2,1-3H3/b10-7-; GLZPCOQZEFWAFX-YFHOEESVSA-N |
CC(=CCC/C(=C\CO)/C)C; CC(C)=CCCC(C)=CCO; C/C(C)=C/CCC(C)=[C@H]CO; CC(=CCCC(=CCO) C)C; CC(C)=CCC\C(C)=C/CO |
(2Z)-3,7-dimethylocta-2,6-dien-1-ol; nerol |
| 35336 |  O CHEMBL1098659 DB09145 |
230 | O | InChI=1S/H2O/h1H2; XLYOFNOQVPJJNP-UHFFFAOYSA-N |
O; [O] | OXYGEN ATOM |
| 35337 |  O00 |
0 | C19 H14 F2 N2 O2 | InChI=1S/C19H14F2N2O2/c1- 23-17(8-7-12-5-3-2-4-6-12 )22-16(19(23)25)11-13-9-1 4(20)18(24)15(21)10-13/h2 -11,24H,1H3/b8-7+,16-11-; QXBNXTPHNSRTRU-UQQCGOLSSA-N |
CN1C(=N/C(=C\c2cc(c(c(c2)F)O)F)/C1=O)/C= C/c3ccccc3; CN1C(=O)C(=Cc2cc(F)c(O)c(F)c 2)N=C1C=Cc3ccccc3; CN1C(=NC(=Cc2cc(c(c(c 2)F)O)F)C1=O)C=Cc3ccccc3; CN1C(=O)/C(=C/ c2cc(F)c(O)c(F)c2)N=C1\C=C\c3ccccc3 |
(5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one |
| 35338 |  O01 ZINC000584905638 |
3 | C9 H12 N4 S | InChI=1S/C9H12N4S/c1-5-9( 14-6(2)11-5)8-3-7(4-10)12 -13-8/h3H,4,10H2,1-2H3,(H ,12,13); IPDYKGULJOZYNW-UHFFFAOYSA-N |
Cc1c(sc(n1)C)c2cc([nH]n2)CN; n2c(sc(c1cc (CN)nn1)c2C)C; Cc1sc(c(C)n1)c2cc(CN)[nH] n2 |
[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-3-yl]methanamine; 1-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methanamine |
| 35339 |  O02 CHEMBL4591580 |
1 | C11 H19 N7 O9 P2 | InChI=1S/C11H19N7O9P2/c12 -8-5-9(16-11(15-8)17-13)1 8(2-14-5)10-7(20)6(19)4(2 7-10)1-26-29(24,25)3-28(2 1,22)23/h2,4,6-7,10,19-20 H,1,3,13H2,(H,24,25)(H2,2 1,22,23)(H3,12,15,16,17)/ t4-,6-,7-,10-/m1/s1; AJMJEKNHUHCOGZ-KQYNXXCUSA-N |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N; NNc1n c(N)c2ncn([CH]3O[CH](CO[P](O)(=O)C[P](O) (O)=O)[CH](O)[CH]3O)c2n1; NNc1nc(N)c2ncn ([C@@H]3O[C@H](CO[P](O)(=O)C[P](O)(O)=O) [C@@H](O)[C@H]3O)c2n1; c1nc2c(nc(nc2n1C3 C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-diazanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 35340 |  O04 ZINC000058638994 |
1 | C13 H17 N3 O2 | InChI=1S/C13H17N3O2/c14-1 3(15)11-6-4-10(5-7-11)9-1 6-18-12-3-1-2-8-17-12/h4- 7,9,12H,1-3,8H2,(H3,14,15 )/b16-9+/t12-/m0/s1; WEPKQSGLGGDMSU-RGZVIEDOSA-N |
c1cc(ccc1C=NOC2CCCCO2)C(=N)N; NC(=N)c1cc c(cc1)/C=N/O[C@H]2CCCCO2; NC(=N)c1ccc(cc 1)C=NO[CH]2CCCCO2; [H]/N=C(/c1ccc(cc1)/C =N/O[C@H]2CCCCO2)\N; N(/OC1OCCCC1)=C\c2c cc(C(=[N@H])N)cc2 |
(E)-4-((tetrahydro-2H-pyran-2-yloxyimino)methyl)benzimidamide |
| 35341 |  O05 |
1 | C15 H26 N7 O9 P2 | InChI=1S/C15H25N7O9P2/c16 -12-9-13(20-15(19-12)21-3 -1-17-2-4-21)22(6-18-9)14 -11(24)10(23)8(31-14)5-30 -33(28,29)7-32(25,26)27/h 6,8,10-11,14,17,23-24H,1- 5,7H2,(H,28,29)(H2,16,19, 20)(H2,25,26,27)/p+1/t8-, 10-,11-,14-/m1/s1; GUHCLCYLXMLIOC-IDTAVKCVSA-O |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]C C4)N; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)( CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N; Nc1nc( nc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O )(O)=O)[CH](O)[CH]3O)N4CC[NH2+]CC4; Nc1n c(nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)C [P](O)(O)=O)[C@@H](O)[C@H]3O)N4CC[NH2+]C C4 |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 35342 |  O06 CHEMBL5405768 |
2 | C23 H27 F3 N4 O3 | InChI=1S/C23H27F3N4O3/c1- 21(2,32)10-9-19-28-16-11- 13(22(3,4)33)15(12-17(16) 30(19)5)29-20(31)14-7-6-8 -18(27-14)23(24,25)26/h6- 8,11-12,32-33H,9-10H2,1-5 H3,(H,29,31); HRMRCQCPDQTKCV-UHFFFAOYSA-N |
Cn1c(CCC(C)(C)O)nc2cc(c(NC(=O)c3cccc(n3) C(F)(F)F)cc12)C(C)(C)O; CC(C)(CCc1nc2cc( c(cc2n1C)NC(=O)c3cccc(n3)C(F)(F)F)C(C)(C )O)O |
~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| 35343 |  O08 CHEMBL5527941 |
1 | C26 H26 Cl F N4 O5 | InChI=1S/C26H26ClFN4O5/c1 -14(19-6-5-18(37-2)11-20( 19)27)30-26(36)23-10-17(3 3)13-32(23)24(34)12-29-25 (35)22-7-3-15-9-16(28)4-8 -21(15)31-22/h3-9,11,14,1 7,23,33H,10,12-13H2,1-2H3 ,(H,29,35)(H,30,36)/t14-, 17+,23-/m0/s1; PMUWBFKMLGLUTF-KNUWZQJKSA-N |
C[C@@H](c1ccc(cc1Cl)OC)NC(=O)[C@@H]2C[C@ H](CN2C(=O)CNC(=O)c3ccc4cc(ccc4n3)F)O; C Oc1ccc([CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O )CNC(=O)c3ccc4cc(F)ccc4n3)c(Cl)c1; CC(c1 ccc(cc1Cl)OC)NC(=O)C2CC(CN2C(=O)CNC(=O)c 3ccc4cc(ccc4n3)F)O; COc1ccc([C@H](C)NC(= O)[C@@H]2C[C@@H](O)CN2C(=O)CNC(=O)c3ccc4 cc(F)ccc4n3)c(Cl)c1 |
~{N}-[2-[(2~{S},4~{R})-2-[[(1~{S})-1-(2-chloranyl-4-methoxy-phenyl)ethyl]carbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-6-fluoranyl-quinoline-2-carboxamide |
| 35344 |  O09 ZINC000058638995 |
7 | C10 H11 N3 O3 | InChI=1S/C10H11N3O3/c11-1 0(12)8-3-1-7(2-4-8)5-13-1 6-6-9(14)15/h1-5H,6H2,(H3 ,11,12)(H,14,15)/b13-5+; ZLBUXZJWFUDICQ-WLRTZDKTSA-N |
c1cc(ccc1C=NOCC(=O)O)C(=N)N; [H]/N=C(/c1 ccc(cc1)/C=N/OCC(=O)O)\N; NC(=N)c1ccc(cc 1)C=NOCC(O)=O; NC(=N)c1ccc(cc1)/C=N/OCC( O)=O; O=C(O)CO\N=C\c1ccc(C(=[N@H])N)cc1 |
(E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid |
| 35345 |  O0A CHEMBL4471223 |
1 | C28 H26 N4 O2 | InChI=1S/C28H26N4O2/c1-17 -12-14-20(15-13-17)24-23- 19(3)31-32(22-10-5-4-6-11 -22)26(23)30-28(34)25(24) 29-27(33)21-9-7-8-18(2)16 -21/h4-16,24-25H,1-3H3,(H ,29,33)(H,30,34)/t24-,25- /m0/s1; WMAFBTHYXHDENE-DQEYMECFSA-N |
Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC (=O)c4cccc(c4)C)c5ccccc5)C; Cc1ccc(cc1)[ CH]2[CH](NC(=O)c3cccc(C)c3)C(=O)Nc4n(nc( C)c24)c5ccccc5; Cc1ccc(cc1)[C@@H]2[C@H]( NC(=O)c3cccc(C)c3)C(=O)Nc4n(nc(C)c24)c5c cccc5; Cc1ccc(cc1)C2c3c(nn(c3NC(=O)C2NC( =O)c4cccc(c4)C)c5ccccc5)C; c5c(C2C(NC(c1 cc(ccc1)C)=O)C(Nc3c2c(nn3c4ccccc4)C)=O)c cc(c5)C |
3-methyl-N-[(4S,5S)-3-methyl-4-(4-methylphenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]benzamide |
| 35346 |  O0B |
0 | C6 H10 F3 N O2 | InChI=1S/C6H10F3NO2/c1-3( 2-6(7,8)9)4(10)5(11)12/h3 -4H,2,10H2,1H3,(H,11,12)/ t3-,4-/m0/s1; IISHLMOFSAYIEX-IMJSIDKUSA-N |
CC(CC(F)(F)F)C(C(=O)O)N; C[C@@H](CC(F)(F )F)[C@@H](C(=O)O)N; C[CH](CC(F)(F)F)[CH] (N)C(O)=O; C[C@@H](CC(F)(F)F)[C@H](N)C(O )=O |
(2~{S},3~{S})-2-azanyl-5,5,5-tris(fluoranyl)-3-methyl-pentanal |
| 35347 |  O0C |
1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 13-3-1-2-11(6-13)7-16(21) 20-15-10-19-9-12-8-18-5-4 -14(12)15/h1-6,8-10H,7H2, (H,20,21); ITQMQTJYJVFFAW-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1cncc2cnccc21; Clc1c ccc(CC(=O)Nc2cncc3cnccc23)c1; c1cc(cc(c1 )Cl)CC(=O)Nc2cncc3c2ccnc3 |
2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide |
| 35348 |  O0D ZINC000000139487 |
1 | C14 H11 Cl2 N O4 | InChI=1S/C14H11Cl2NO4/c1- 8(14(18)19)20-10-2-4-11(5 -3-10)21-13-12(16)6-9(15) 7-17-13/h2-8H,1H3,(H,18,1 9)/t8-/m1/s1; SVGBNTOHFITEDI-MRVPVSSYSA-N |
CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl; C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O; C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl )Cl; C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1) C(O)=O; Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc (c2)Cl |
(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid |
| 35349 |  O0E |
1 | C25 H29 N7 O4 | InChI=1S/C25H29N7O4/c1-14 (22(27)33)30-24(35)21-7-4 -8-32(21)25(36)20(11-17-1 2-28-13-29-17)31-23(34)18 -9-15-5-2-3-6-16(15)10-19 (18)26/h2-3,5-6,9-10,12-1 4,20-21H,4,7-8,11,26H2,1H 3,(H2,27,33)(H,28,29)(H,3 0,35)(H,31,34)/t14-,20-,2 1-/m0/s1; ZPEDIFPSGYUDLA-WVFSVQOHSA-N |
CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(Cc2c[nH]cn 2)NC(=O)c3cc4ccccc4cc3N; C[C@@H](C(=O)N) NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc2c[nH]cn2 )NC(=O)c3cc4ccccc4cc3N; C[CH](NC(=O)[CH] 1CCCN1C(=O)[CH](Cc2c[nH]cn2)NC(=O)c3cc4c cccc4cc3N)C(N)=O; C[C@H](NC(=O)[C@@H]1CC CN1C(=O)[C@H](Cc2c[nH]cn2)NC(=O)c3cc4ccc cc4cc3N)C(N)=O |
(2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide |
| 35350 |  O0F CHEMBL5279817 |
3 | C7 H9 N7 O4 S2 | InChI=1S/C7H9N7O4S2/c8-4- 1-3(7-11-13-14-12-7)5(19( 9,15)16)2-6(4)20(10,17)18 /h1-2H,8H2,(H2,9,15,16)(H 2,10,17,18)(H,11,12,13,14 ); HZKIZEMGGDWFAS-UHFFFAOYSA-N |
c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)c2n[n H]nn2; NS(=O)(=O)c1cc(c(cc1N)c1n[NH]nn1) S(N)(=O)=O; Nc1cc(c(cc1[S](N)(=O)=O)[S]( N)(=O)=O)c2n[nH]nn2 |
(6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide |
| 35351 |  O0G ZINC000086710270 |
1 | C8 H10 Cl F N2 O | InChI=1S/C8H10ClFN2O/c1-5 (4-13)12-8-7(10)2-6(9)3-1 1-8/h2-3,5,13H,4H2,1H3,(H ,11,12)/t5-/m0/s1; FDEYPUQCROENJQ-YFKPBYRVSA-N |
CC(CO)Nc1c(cc(cn1)Cl)F; C[C@@H](CO)Nc1c( cc(cn1)Cl)F; C[CH](CO)Nc1ncc(Cl)cc1F; C[ C@@H](CO)Nc1ncc(Cl)cc1F; n1c(c(cc(c1)Cl) F)NC(C)CO |
(2S)-2-[(5-chloro-3-fluoropyridin-2-yl)amino]propan-1-ol |
| 35352 |  O0H CHEMBL5426529 |
2 | C23 H25 F3 N6 O3 | InChI=1S/C23H25F3N6O3/c1- 3-35-19-12-17-15(13-32(29 -17)14-21(33)31-9-7-30(2) 8-10-31)11-18(19)28-22(34 )16-5-4-6-20(27-16)23(24, 25)26/h4-6,11-13H,3,7-10, 14H2,1-2H3,(H,28,34); AIMNCVIDWQOVPW-UHFFFAOYSA-N |
CCOc1cc2c(cc1NC(=O)c3cccc(n3)C(F)(F)F)cn (n2)CC(=O)N4CCN(CC4)C; CCOc1cc2nn(CC(=O) N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F )F |
~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| 35353 |  O0J ZINC000000058195 |
13 | C11 H11 N3 O S | InChI=1S/C11H11N3OS/c1-7( 15)13-9-4-2-8(3-5-9)10-6- 16-11(12)14-10/h2-6H,1H3, (H2,12,14)(H,13,15); VBBNSESFUHRMJU-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)c2csc(N)n2; Nc2nc(c1ccc (cc1)NC(C)=O)cs2; CC(=O)Nc1ccc(cc1)c2csc (n2)N |
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide |
| 35354 |  O0L CHEMBL5285307 |
2 | C14 H12 N4 O2 | InChI=1S/C14H12N4O2/c19-8 -9-4-6-10(7-5-9)11-2-1-3- 12(20)13(11)14-15-17-18-1 6-14/h1-7,19-20H,8H2,(H,1 5,16,17,18); MHFBCDLPGNNTMV-UHFFFAOYSA-N |
c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO; O Cc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1; OCc1cc c(cc1)c2cccc(O)c2c3[nH]nnn3 |
(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol |
| 35355 |  O0M ZINC000000239622 |
3 | C15 H23 N O | InChI=1S/C15H23NO/c1-12(2 )14-5-3-13(4-6-14)11-16-9 -7-15(17)8-10-16/h3-6,12, 15,17H,7-11H2,1-2H3; CFAILTWQQPILFW-UHFFFAOYSA-N |
CC(C)c1ccc(CN2CCC(O)CC2)cc1; c1c(C(C)C)c cc(c1)CN2CCC(O)CC2; CC(C)c1ccc(cc1)CN2CC C(CC2)O |
1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol |
| 35356 |  O0O |
1 | C20 H28 Cl2 N4 O2 | InChI=1S/C20H28Cl2N4O2/c2 1-13-18(27)24-14-15-5-11- 26(12-6-15)19(28)20(7-9-2 3-10-8-20)25-17-3-1-16(22 )2-4-17/h1-4,15,23,25H,5- 14H2,(H,24,27); ZJJWUWSMGRXJIN-UHFFFAOYSA-N |
c1cc(ccc1NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(= O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC NCC2)Nc3ccc(Cl)cc3 |
2-chloranyl-~{N}-[[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide |
| 35357 |  O0P ZINC000036924412 |
5 | C8 H11 F N2 O2 S | InChI=1S/C8H11FN2O2S/c1-1 1(14(10,12)13)6-7-3-2-4-8 (9)5-7/h2-5H,6H2,1H3,(H2, 10,12,13); MTNUKOMLMCLFRR-UHFFFAOYSA-N |
CN(Cc1cccc(c1)F)S(=O)(=O)N; CN(Cc1cccc(F )c1)[S](N)(=O)=O; NS(N(C)Cc1cc(ccc1)F)(= O)=O |
N-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide |
| 35358 |  O0Q |
4 | C13 H14 N4 O | InChI=1S/C13H14N4O/c18-12 (14-1-3-17-4-2-15-16-17)1 3-9-6-5-7(9)11(13)8(5)10( 6)13/h2,4-11H,1,3H2,(H,14 ,18)/t5-,6+,7-,8+,9+,10-, 11+,13+; OEUPRBXQNJLJSP-NFVYEKIASA-N |
c1cn(nn1)CCNC(=O)C23C4C5C2C6C5C4C36; O=C (NCCn1ccnn1)C23C4C5C6C4C2C6C35 |
~{N}-[2-(1,2,3-triazol-1-yl)ethyl]cubane-1-carboxamide |
| 35359 |  O0R |
1 | C16 H15 Cl N2 O | InChI=1S/C16H15ClN2O/c17- 13-3-1-2-11(8-13)9-16(20) 19-15-10-18-7-6-14(15)12- 4-5-12/h1-3,6-8,10,12H,4- 5,9H2,(H,19,20); TVYREULMZIPGLM-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2cnccc2C3CC3)c1; c1cc(c c(c1)Cl)CC(=O)Nc2cnccc2C3CC3; O=C(Nc1cnc cc1C1CC1)Cc1cccc(Cl)c1 |
2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide |
| 35360 |  O0S CHEMBL1588383 ZINC000001401994 |
3 | C12 H11 N3 O2 | InChI=1S/C12H11N3O2/c1-9( 16)15-10-3-5-11(6-4-10)17 -12-13-7-2-8-14-12/h2-8H, 1H3,(H,15,16); DXVKZDBYLFVMFB-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)Oc2ncccn2; CC(=O)Nc1ccc (Oc2ncccn2)cc1; n1cccnc1Oc2ccc(NC(C)=O)c c2 |
N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide |
| 35361 |  O0U CHEMBL5207130 ZINC000001216745 |
2 | C22 H16 Cl N3 O4 | InChI=1S/C22H16ClN3O4/c1- 2-13-3-5-14(6-4-13)22-25- 19-11-15(7-10-20(19)30-22 )24-21(27)17-12-16(26(28) 29)8-9-18(17)23/h3-12H,2H 2,1H3,(H,24,27); WFEBALYYDASKIV-UHFFFAOYSA-N |
CCc1ccc(cc1)c2nc3cc(ccc3o2)NC(=O)c4cc(cc c4Cl)N(=O)=O; CCc1ccc(cc1)c2oc3ccc(NC(=O )c4cc(ccc4Cl)[N](=O)=O)cc3n2 |
2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide |
| 35362 |  O0V ZINC000159000310 |
2 | C9 H13 F N2 O | InChI=1S/C9H13FN2O/c1-7(6 -13)12(2)9-8(10)4-3-5-11- 9/h3-5,7,13H,6H2,1-2H3/t7 -/m0/s1; FOQPKOCSXTYZBW-ZETCQYMHSA-N |
CC(CO)N(C)c1c(cccn1)F; n1c(N(C(C)CO)C)c( ccc1)F; C[C@@H](CO)N(C)c1c(cccn1)F; C[CH ](CO)N(C)c1ncccc1F; C[C@@H](CO)N(C)c1ncc cc1F |
(2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol |
| 35363 |  O0W CHEMBL4634366 |
4 | C21 H22 N4 O2 | InChI=1S/C21H22N4O2/c1-13 -9-14(18-12-24(2)21(26)17 -5-8-27-20(17)18)10-15-11 -25(23-19(13)15)16-3-6-22 -7-4-16/h5,8-12,16,22H,3- 4,6-7H2,1-2H3; ZDDPECPWLZOLGO-UHFFFAOYSA-N |
Cc1cc(cc2c1nn(c2)C3CCNCC3)C4=CN(C(=O)c5c 4occ5)C; CN1C=C(c2cc(C)c3nn(cc3c2)C4CCNC C4)c5occc5C1=O |
5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one |
| 35364 |  O0X |
2 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 12-4-1-3-11(7-12)8-16(21) 20-15-10-18-9-14-13(15)5- 2-6-19-14/h1-7,9-10H,8H2, (H,20,21); ACBAQCKSRSEYGV-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1cncc2ncccc21; c1cc( cc(c1)Cl)CC(=O)Nc2cncc3c2cccn3; Clc1cccc (CC(=O)Nc2cncc3ncccc23)c1 |
2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide |
| 35365 |  O0Y CHEMBL1420719 ZINC000000388040 |
2 | C10 H15 N O | InChI=1S/C10H15NO/c1-3-11 (4-2)9-6-5-7-10(12)8-9/h5 -8,12H,3-4H2,1-2H3; WAVOOWVINKGEHS-UHFFFAOYSA-N |
c1(N(CC)CC)cccc(c1)O; CCN(CC)c1cccc(c1)O ; CCN(CC)c1cccc(O)c1 |
3-(diethylamino)phenol |
| 35366 |  O0Z |
1 | C30 H42 N4 O | InChI=1S/C30H42N4O/c1-2-3 -17-31-29(21-26-22-33-28- 14-8-7-13-27(26)28)30(35) 32-18-15-24-12-9-19-34(20 -16-24)23-25-10-5-4-6-11- 25/h4-8,10-11,13-14,22,24 ,29,31,33H,2-3,9,12,15-21 ,23H2,1H3,(H,32,35)/t24-, 29+/m1/s1; GZBQVFPQSQFJCG-GIGWZHCTSA-N |
CCCCN[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC[C @H]3CCCN(CC3)Cc4ccccc4; CCCCNC(Cc1c[nH]c 2c1cccc2)C(=O)NCCC3CCCN(CC3)Cc4ccccc4; C CCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@ H]3CCCN(CC3)Cc4ccccc4; CCCCN[CH](Cc1c[nH ]c2ccccc12)C(=O)NCC[CH]3CCCN(CC3)Cc4cccc c4 |
(2~{S})-2-(butylamino)-3-(1~{H}-indol-3-yl)-~{N}-[2-[(4~{R})-1-(phenylmethyl)azepan-4-yl]ethyl]propanamide |
| 35367 |  O10 CHEMBL5178708 |
2 | C10 H5 Br Cl N5 | InChI=1S/C10H5BrClN5/c11- 6-3-14-10(12)16-9(6)17-2- 1-7-8(17)4-13-5-15-7/h1-5 H; VSZVVLDJLHIOHV-UHFFFAOYSA-N |
c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Br; Clc1ncc (Br)c(n1)n2ccc3ncncc23; Brc1cnc(Cl)nc1n1 ccc2ncncc21 |
(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine |
| 35368 |  O11 ZINC000095921186 |
1 | C26 H38 O5 | InChI=1S/C26H38O5/c1-6-26 (7-2,19-8-12-22(13-9-19)3 0-17-21(28)16-27)20-10-14 -23(15-11-20)31-18-24(29) 25(3,4)5/h8-15,21,24,27-2 9H,6-7,16-18H2,1-5H3/t21- ,24-/m0/s1; HPEKDMRENBLBLH-URXFXBBRSA-N |
CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2 )OC[C@@H](C(C)(C)C)O; CCC(CC)(c1ccc(cc1) OCC(CO)O)c2ccc(cc2)OCC(C(C)(C)C)O; CCC(C C)(c1ccc(OC[C@@H](O)CO)cc1)c2ccc(OC[C@H] (O)C(C)(C)C)cc2; O(c1ccc(cc1)C(c2ccc(OCC (O)C(C)(C)C)cc2)(CC)CC)CC(O)CO; CCC(CC)( c1ccc(OC[CH](O)CO)cc1)c2ccc(OC[CH](O)C(C )(C)C)cc2 |
(2S)-3-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)pentan-3-yl]phenoxy}propane-1,2-diol |
| 35369 |  O12 ZINC000058638997 |
0 | C17 H34 N2 O3 | InChI=1S/C17H34N2O3/c1-2- 3-4-5-6-7-8-9-10-13-16(20 )19-14-11-12-15(18)17(21) 22/h15H,2-14,18H2,1H3,(H, 19,20)(H,21,22)/t15-/m0/s 1; FISWIEVEEGBZND-HNNXBMFYSA-N |
CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N; CCCCCCCC CCCC(=O)NCCC[C@H](N)C(O)=O; O=C(NCCCC(N) C(=O)O)CCCCCCCCCCC; CCCCCCCCCCCC(=O)NCCC [CH](N)C(O)=O; CCCCCCCCCCCC(=O)NCCC[C@@H ](C(=O)O)N |
N~5~-dodecanoyl-L-ornithine |
| 35370 |  O13 ZINC000058638799 |
1 | C14 H20 N4 O | InChI=1S/C14H20N4O/c1-18- 8-2-3-13(10-18)19-17-9-11 -4-6-12(7-5-11)14(15)16/h 4-7,9,13H,2-3,8,10H2,1H3, (H3,15,16)/b17-9+/t13-/m1 /s1; GFIFKVKMSCQHRZ-LFMVTYOGSA-N |
[H]/N=C(/c1ccc(cc1)/C=N/O[C@@H]2CCCN(C2) C)\N; CN1CCCC(C1)ON=Cc2ccc(cc2)C(=N)N; N (/OC1CCCN(C)C1)=C\c2ccc(C(=[N@H])N)cc2; CN1CCC[CH](C1)ON=Cc2ccc(cc2)C(N)=N; CN1C CC[C@H](C1)O\N=C\c2ccc(cc2)C(N)=N |
(E)-4-((1-methylpiperidin-3-yloxyimino)methyl)benzimidamide |
| 35371 |  O14 ZINC000058638800 |
1 | C14 H20 N4 O | InChI=1S/C14H20N4O/c1-18- 8-6-13(7-9-18)19-17-10-11 -2-4-12(5-3-11)14(15)16/h 2-5,10,13H,6-9H2,1H3,(H3, 15,16)/b17-10+; FNLKRNACHKABQI-LICLKQGHSA-N |
[H]/N=C(/c1ccc(cc1)/C=N/OC2CCN(CC2)C)\N; CN1CCC(CC1)ON=Cc2ccc(cc2)C(N)=N; CN1CCC (CC1)O\N=C\c2ccc(cc2)C(N)=N; CN1CCC(CC1) ON=Cc2ccc(cc2)C(=N)N; N(/OC1CCN(C)CC1)=C \c2ccc(C(=[N@H])N)cc2 |
(E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide |
| 35372 |  O15 ZINC000058638860 |
1 | C12 H15 N3 O3 | InChI=1S/C12H15N3O3/c1-12 (2,11(16)17)18-15-7-8-3-5 -9(6-4-8)10(13)14/h3-7H,1 -2H3,(H3,13,14)(H,16,17)/ b15-7+; XNCYVTKDNMFVND-VIZOYTHASA-N |
CC(C)(ON=Cc1ccc(cc1)C(N)=N)C(O)=O; CC(C) (O/N=C/c1ccc(cc1)C(N)=N)C(O)=O; O=C(O)C( O\N=C\c1ccc(C(=[N@H])N)cc1)(C)C; [H]/N=C (/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N; CC(C )(C(=O)O)ON=Cc1ccc(cc1)C(=N)N |
(E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid |
| 35373 |  O16 DB01897 ZINC000012501326 |
4 | C24 H16 N7 O2 S | InChI=1S/C24H15N7O2S/c32- 22-17-12-11-16(14-18(17)2 3(33)27-26-22)30-28-21(13 -10-15-6-2-1-3-7-15)29-31 (30)24-25-19-8-4-5-9-20(1 9)34-24/h1-14H,(H,28,29)/ p+1/b13-10+; BEIGFKLRGRRJJA-JLHYYAGUSA-O |
O=C1NNC(=O)c2cc(ccc12)[n+]3nc(C=Cc4ccccc 4)nn3c5sc6ccccc6n5; O=C2c1cc(ccc1C(=O)NN 2)[n+]5nc(nn5c3nc4ccccc4s3)\C=C\c6ccccc6 ; c1ccc(cc1)\C=C\c2nn([n+](n2)c3ccc4c(c3 )C(=O)NNC4=O)c5nc6ccccc6s5; O=C1NNC(=O)c 2cc(ccc12)[n+]3nc(\C=C\c4ccccc4)nn3c5sc6 ccccc6n5; c1ccc(cc1)C=Cc2nn([n+](n2)c3cc c4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5 |
3-(1,3-BENZOTHIAZOL-2-YL)-2-(1,4-DIOXO-1,2,3,4-TETRAHYDROPHTHALAZIN-6-YL)-5-[(E)-2-PHENYLVINYL]-3H-TETRAAZOL-2-IUM; 2-(2F-BENZOTHIAZOLYL)-5-STYRYL-3-(4F-PHTHALHYDRAZIDYL) TETRAZOLIUM CHLORIDE |
| 35374 |  O17 |
1 | C30 H35 N7 O3 | InChI=1S/C30H35N7O3/c1-39 -9-7-34-28(38)5-3-22-2-4- 23(13-26(22)40-8-6-31)35- 27-14-25(33)24(18-32)29(3 6-27)37-30-15-19-10-20(16 -30)12-21(11-19)17-30/h2- 5,13-14,19-21H,7-12,15-17 H2,1H3,(H,34,38)(H4,33,35 ,36,37)/b5-3+/t19-,20+,21 -,30-; XFGLTLTUEITKOH-SWLKYIRASA-N |
COCCNC(=O)C=Cc1ccc(Nc2cc(N)c(C#N)c(NC34C C5CC(CC(C5)C3)C4)n2)cc1OCC#N; COCCNC(=O) /C=C/c1ccc(Nc2cc(N)c(C#N)c(NC34CC5CC(CC( C5)C3)C4)n2)cc1OCC#N; COCCNC(=O)/C=C/c1c cc(cc1OCC#N)Nc2cc(c(c(n2)NC34CC5CC(C3)CC (C5)C4)C#N)N; O=C(NCCOC)\C=C\c1ccc(cc1OC C#N)Nc5nc(NC42CC3CC(CC(C2)C3)C4)c(C#N)c( c5)N; COCCNC(=O)C=Cc1ccc(cc1OCC#N)Nc2cc( c(c(n2)NC34CC5CC(C3)CC(C5)C4)C#N)N |
(2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide |
| 35375 |  O18 |
1 | C19 H35 N O4 | InChI=1S/C19H35NO4/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-15-18(21)24-16-17(20)1 9(22)23/h7-8,17H,2-6,9-16 ,20H2,1H3,(H,22,23)/b8-7- /t17-/m0/s1; BEQLUQLZPXGDLC-QWPQOLDESA-N |
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C(=O)O)N ; CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](N)C(O)= O; CCCCCCC=CCCCCCCCC(=O)OCC(C(=O)O)N; CC CCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O |
O-palmitoleoyl serine; (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid |
| 35376 |  O19 CHEMBL2208034 ZINC000095560529 |
4 | C25 H28 N6 O2 | InChI=1S/C25H28N6O2/c32-2 4(23-2-1-12-26-23)28-19-5 -3-18(4-6-19)22-11-13-27- 25(30-22)29-20-7-9-21(10- 8-20)31-14-16-33-17-15-31 /h3-11,13,23,26H,1-2,12,1 4-17H2,(H,28,32)(H,27,29, 30)/t23-/m1/s1; ISOCDPQFIXDIMS-HSZRJFAPSA-N |
O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC 4)n2)[CH]5CCCN5; O=C(Nc1ccc(cc1)c2ccnc(N c3ccc(cc3)N4CCOCC4)n2)[C@H]5CCCN5; O=C(N c1ccc(cc1)c2nc(ncc2)Nc4ccc(N3CCOCC3)cc4) C5NCCC5; c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N 4CCOCC4)NC(=O)C5CCCN5; c1cc(ccc1c2ccnc(n 2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5 |
(2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide |
| 35377 |  O1A ZINC000000515009 |
1 | C13 H19 N3 O | InChI=1S/C13H19N3O/c1-11( 17)14-12-3-5-13(6-4-12)16 -9-7-15(2)8-10-16/h3-6H,7 -10H2,1-2H3,(H,14,17); QAEVFGOUSCYAPU-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)N2CCN(CC2)C; N1(CCN(CC1 )C)c2ccc(cc2)NC(C)=O; CN1CCN(CC1)c2ccc(N C(C)=O)cc2 |
N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide |
| 35378 |  O1B |
2 | C7 H17 N2 O8 P | InChI=1S/C7H17N2O8P/c8-1- 2-9-7(13)6(12)5(11)4(10)3 -17-18(14,15)16/h4-6,10-1 2H,1-3,8H2,(H,9,13)(H2,14 ,15,16)/t4-,5-,6+/m1/s1; FUFPHFARIIPLRI-PBXRRBTRSA-N |
NCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]( O)(O)=O; C(CNC(=O)C(C(C(COP(=O)(O)O)O)O) O)N; NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P] (O)(O)=O; C(CNC(=O)[C@H]([C@@H]([C@@H](C OP(=O)(O)O)O)O)O)N |
(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate |
| 35379 |  O1C CHEMBL212940 ZINC000027104142 |
1 | C30 H50 O4 | InChI=1S/C30H50O4/c1-20(9 -6-16-29(3,4)34)25-14-15- 26-22(10-7-17-30(25,26)5) 12-13-23-19-27(32)24(11-8 -18-31)28(33)21(23)2/h12- 13,20,24-28,31-34H,2,6-11 ,14-19H2,1,3-5H3/b22-12+, 23-13-/t20-,24+,25-,26+,2 7-,28-,30-/m1/s1; QOVWEUHJARWCDV-RQSRSJTKSA-N |
C[CH](CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12 C)=CC=C3C[CH](O)[CH](CCCO)[CH](O)C3=C; O C1CC(\C(=C)C(O)C1CCCO)=C\C=C2/CCCC3(C)C( C(C)CCCC(O)(C)C)CCC23; CC(CCCC(C)(C)O)C1 CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)CCCO)O)C ; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@ @]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H]( C3=C)O)CCCO)O)C; C[C@H](CCCC(C)(C)O)[C@H ]1CC[C@H]2\C(CCC[C@]12C)=C\C=C/3C[C@@H]( O)[C@H](CCCO)[C@H](O)C/3=C |
2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-DIHYDROXYVITAMIN D3; 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-(3-HYDROXYPROPYL)-,(1A,2A,3B,5Z,7E) |
| 35380 |  O1D CHEMBL1642680 ZINC000000119243 |
5 | C13 H13 N O | InChI=1S/C13H13NO/c14-12- 7-4-8-13(9-12)15-10-11-5- 2-1-3-6-11/h1-9H,10,14H2; IGPFOKFDBICQMC-UHFFFAOYSA-N |
Nc1cccc(OCc2ccccc2)c1; c2(OCc1ccccc1)cc( N)ccc2; c1ccc(cc1)COc2cccc(c2)N |
3-(benzyloxy)aniline |
| 35381 |  O1E |
2 | C13 H14 N4 S | InChI=1S/C13H14N4S/c1-2-1 2-16-17-13(18-12)15-8-9-3 -4-11-10(7-9)5-6-14-11/h3 -7,14H,2,8H2,1H3,(H,15,17 ); UEBXWPXCTRZFCZ-UHFFFAOYSA-N |
CCc1sc(NCc2ccc3[nH]ccc3c2)nn1; CCc1nnc(s 1)NCc2ccc3c(c2)cc[nH]3 |
5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine; 5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine |
| 35382 |  O1F |
1 | C12 H11 N O4 S2 | InChI=1S/C12H11NO4S2/c1-1 6-8-5-7(14)9(17-2)3-6(8)4 -10-11(15)13-12(18)19-10/ h3-5,14H,1-2H3,(H,13,15,1 8)/b10-4-; UFTHKGPBVJJXLR-WMZJFQQLSA-N |
COc1cc(c(cc1O)OC)C=C2C(=O)NC(=S)S2; COc1 cc(c(cc1O)OC)/C=C\2/C(=O)NC(=S)S2; COc1c c(C=C2SC(=S)NC2=O)c(OC)cc1O; COc1cc(\C=C 2/SC(=S)NC2=O)c(OC)cc1O |
(5~{Z})-5-[(2,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| 35383 |  O1G ZINC000098209310 |
12 | C14 H22 N2 O13 P2 | InChI=1S/C14H22N2O13P2/c1 -6-11(17)8(7(2-15-6)4-27- 30(21,22)23)3-16-10-12(18 )9(5-28-31(24,25)26)29-14 (20)13(10)19/h2-3,9-10,12 -14,17-20H,4-5H2,1H3,(H2, 21,22,23)(H2,24,25,26)/b1 6-3+/t9-,10+,12-,13-,14+/ m1/s1; QZSIYKBKRPMGJB-ZKLPQXMUSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O )O)COP(=O)(O)O)O)O; Cc1c(c(c(cn1)COP(=O) (O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@ @H]2O)O)COP(=O)(O)O)O)O; Cc1ncc(CO[P](O) (O)=O)c(C=N[CH]2[CH](O)[CH](O)O[CH](CO[P ](O)(O)=O)[CH]2O)c1O; Cc1ncc(CO[P](O)(O) =O)c(C=N[C@@H]2[C@@H](O)[C@@H](O)O[C@H]( CO[P](O)(O)=O)[C@H]2O)c1O; O=P(O)(O)OCc1 cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)( O)O)C |
3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose; 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco se; 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-D-glucose; 3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-glucose |
| 35384 |  O1H CHEMBL4467828 |
2 | C24 H15 Cl N8 | InChI=1S/C24H15ClN8/c25-2 0-9-18(22-7-8-28-32(22)14 -16-3-1-15(12-26)2-4-16)1 0-23-24(20)30-31-33(23)19 -6-5-17-13-27-29-21(17)11 -19/h1-11,13H,14H2,(H,27, 29); WHTYOOSKWPNGMT-UHFFFAOYSA-N |
Clc1cc(cc2n(nnc12)c3ccc4cn[nH]c4c3)c5ccn n5Cc6ccc(cc6)C#N; c1cc(ccc1Cn2c(ccn2)c3c c4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N |
4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile |
| 35385 |  O1I |
1 | C15 H15 Cl N2 O2 | InChI=1S/C15H15ClN2O2/c1- 10-5-6-17-8-14(10)18-15(2 0)13(9-19)11-3-2-4-12(16) 7-11/h2-8,13,19H,9H2,1H3, (H,18,20)/t13-/m1/s1; YUJIYWCEKJSKBQ-CYBMUJFWSA-N |
O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1; Cc1ccn cc1NC(=O)C(CO)c2cccc(c2)Cl; Cc1ccncc1NC( =O)[C@H](CO)c2cccc(c2)Cl; Cc1ccncc1NC(=O )[C@H](CO)c2cccc(Cl)c2; Cc1ccncc1NC(=O)[ CH](CO)c2cccc(Cl)c2 |
(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide |
| 35386 |  O1J CHEMBL3247413 ZINC000000396091 |
6 | C9 H10 O3 | InChI=1S/C9H10O3/c10-9(11 )7-12-6-8-4-2-1-3-5-8/h1- 5H,6-7H2,(H,10,11); GRZHHTYDZVRPIC-UHFFFAOYSA-N |
OC(=O)COCc1ccccc1; c1ccc(cc1)COCC(=O)O; c1ccccc1COCC(=O)O |
(benzyloxy)acetic acid |
| 35387 |  O1K CHEMBL5191167 |
2 | C10 H5 Cl2 N5 | InChI=1S/C10H5Cl2N5/c11-6 -3-14-10(12)16-9(6)17-2-1 -7-8(17)4-13-5-15-7/h1-5H; MZVKJKCCHKCFTH-UHFFFAOYSA-N |
Clc1ncc(Cl)c(n1)n2ccc3ncncc23; c1cn(c2c1 ncnc2)c3c(cnc(n3)Cl)Cl; Clc1cnc(Cl)nc1n1 ccc2ncncc21 |
(5M)-5-(2,5-dichloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine |
| 35388 |  O1L CHEMBL1587152 ZINC000013122823 |
2 | C21 H17 Cl2 N O2 | InChI=1S/C21H17Cl2NO2/c22 -17-10-9-16(19(23)13-17)1 4-24-12-11-20(25)18(21(24 )26)8-4-7-15-5-2-1-3-6-15 /h1-7,9-13,25H,8,14H2/b7- 4+; WFRAUCNBSDLATB-QPJJXVBHSA-N |
Clc1ccc(CN2C=CC(O)=C(C/C=C/c3ccccc3)C2=O )c(Cl)c1; c1ccc(cc1)/C=C/CC2=C(C=CN(C2=O )Cc3ccc(cc3Cl)Cl)O; OC1=C(CC=Cc2ccccc2)C (=O)N(Cc3ccc(Cl)cc3Cl)C=C1; OC1=C(C\C=C\ c2ccccc2)C(=O)N(Cc3ccc(Cl)cc3Cl)C=C1; c1 ccc(cc1)C=CCC2=C(C=CN(C2=O)Cc3ccc(cc3Cl) Cl)O |
1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(2E)-3-phenylprop-2-en-1-yl]pyridin-2(1H)-one |
| 35389 |  O1M ZINC000000386756 |
18 | C11 H14 F N3 O | InChI=1S/C11H14FN3O/c12-9 -1-3-10(4-2-9)14-5-7-15(8 -6-14)11(13)16/h1-4H,5-8H 2,(H2,13,16); XARVCWHXIZRCGB-UHFFFAOYSA-N |
N2(C(N)=O)CCN(c1ccc(cc1)F)CC2; c1cc(ccc1 N2CCN(CC2)C(=O)N)F; NC(=O)N1CCN(CC1)c2cc c(F)cc2 |
4-(4-fluorophenyl)piperazine-1-carboxamide |
| 35390 |  O1N |
2 | C19 H20 Cl2 N2 Os | InChI=1S/C10H14.C9H10N2.2 ClH.Os/c1-8(2)10-6-4-9(3) 5-7-10;1-10-7-11(2)9-6-4- 3-5-8(9)10;;;/h4-8H,1-3H3 ;3-6H,1-2H3;2*1H;/q;;;;+2 /p-2; HTBSTFDYMNQUHX-UHFFFAOYSA-L |
CC(C)[C@@]12CC[C@@](C)(CC1)[Os]2(Cl)(Cl) c3n(C)c4ccccc4[n]3C; CC(C)C12[C]3[Os]145 6([C]3C4([C]5[C]62)C)(C7=[N](c8ccccc8N7C )C)(Cl)Cl; CC(C)[C]12CC[C](C)(CC1)[Os]2( Cl)(Cl)c3n(C)c4ccccc4[n]3C |
dichlorido(1,3-dimethylbenzimidazol-2-ylidene)(eta6-p-cymene)osmium(II) |
| 35391 |  O1O |
1 | C21 H19 F3 N2 O7 S | InChI=1S/C21H19F3N2O7S/c1 -10-11(19(30)17-12(27)5-4 -6-13(17)28)7-8-14(34(3,3 2)33)18(10)26-16(29)9-15( 21(22,23)24)25(2)20(26)31 /h7-9,27H,4-6H2,1-3H3; NTLFNUWOCZJCOH-UHFFFAOYSA-N |
Cc1c(ccc(c1N2C(=O)C=C(N(C2=O)C)C(F)(F)F) S(=O)(=O)C)C(=O)C3=C(CCCC3=O)O; CN1C(=O) N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(= O)=O)C(=O)C3=C(O)CCCC3=O |
1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione |
| 35392 |  O1Q CHEMBL4592018 |
2 | C23 H16 Cl N7 | InChI=1S/C23H16ClN7/c1-14 -3-2-4-17(9-14)30-21(7-8- 26-30)16-10-19(24)23-22(1 1-16)31(29-28-23)18-6-5-1 5-13-25-27-20(15)12-18/h2 -13H,1H3,(H,25,27); CSVTXOXVXICQEG-UHFFFAOYSA-N |
Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c 5ccc6cn[nH]c6c5; Cc1cccc(c1)n2nccc2c3cc( Cl)c4nnn(c5ccc6cn[nH]c6c5)c4c3 |
4-chloranyl-1-(1~{H}-indazol-6-yl)-6-[2-(3-methylphenyl)pyrazol-3-yl]benzotriazole |
| 35393 |  O1R CHEMBL5184056 |
2 | C12 H6 Cl N5 | InChI=1S/C12H6ClN5/c13-11 -2-1-8(5-14)12(17-11)18-4 -3-9-10(18)6-15-7-16-9/h1 -4,6-7H; AFZXKZNWMHCMPD-UHFFFAOYSA-N |
c1cc(nc(c1C#N)n2ccc3c2cncn3)Cl; N#Cc1ccc (Cl)nc1n1ccc2ncncc21; Clc1ccc(C#N)c(n1)n 2ccc3ncncc23 |
(2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile |
| 35394 |  O1S CHEMBL4083927 |
2 | C15 H17 N5 O S | InChI=1S/C15H17N5OS/c1-9- 10(7-16-19-9)12-6-11-14(2 2-12)15(21)18-13(17-11)8- 20-4-2-3-5-20/h6-7H,2-5,8 H2,1H3,(H,16,19)(H,17,18, 21); MUYIKPWUBQUQAV-UHFFFAOYSA-N |
Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)CN4CC CC4; Cc1[nH]ncc1c2sc3C(=O)NC(=Nc3c2)CN4C CCC4; n1c(c(cn1)c2sc4c(c2)N=C(CN3CCCC3)N C4=O)C |
6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one |
| 35395 |  O1T CHEMBL4761506 |
1 | C20 H24 Cl F N4 O9 P2 | InChI=1S/C20H24ClFN4O9P2/ c1-10(11-2-4-12(22)5-3-11 )24-14-6-16(21)25-19-13(1 4)7-23-26(19)20-18(28)17( 27)15(35-20)8-34-37(32,33 )9-36(29,30)31/h2-7,10,15 ,17-18,20,27-28H,8-9H2,1H 3,(H,24,25)(H,32,33)(H2,2 9,30,31)/t10-,15+,17+,18+ ,20+/m0/s1; ZOJVDXWVVGFWSE-KCVUFLITSA-N |
C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]3O[C@H] (CO[P](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H] 3O)c4ccc(F)cc4; C[CH](Nc1cc(Cl)nc2n(ncc1 2)[CH]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[C H](O)[CH]3O)c4ccc(F)cc4; CC(c1ccc(cc1)F) Nc2cc(nc3c2cnn3C4C(C(C(O4)COP(=O)(CP(=O) (O)O)O)O)O)Cl; C[C@@H](c1ccc(cc1)F)Nc2cc (nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)C OP(=O)(CP(=O)(O)O)O)O)O)Cl |
[[(2~{R},3~{S},4~{R},5~{R})-5-[6-chloranyl-4-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]pyrazolo[3,4-b]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid |
| 35396 |  O1U ZINC000100781326 |
8 | C40 H54 O4 | InChI=1S/C40H54O4/c1-28(1 7-13-18-30(3)21-22-35-32( 5)23-33(41)25-38(35,6)7)1 5-11-12-16-29(2)19-14-20- 31(4)36(43)24-37(44)40(10 )27-34(42)26-39(40,8)9/h1 1-20,24,33-34,41-43H,23,2 5-27H2,1-10H3/b12-11+,17- 13+,19-14+,28-15+,29-16+, 30-18+,31-20+,36-24-/t33- ,34+,40+/m1/s1; WSLGBPCJDUQFND-BBPSKTQQSA-N |
CC(=CC=CC=C(C)C=CC=C(C)C(O)=CC(=O)[C]1(C )C[CH](O)CC1(C)C)C=CC=C(C)C#CC2=C(C)C[CH ](O)CC2(C)C; CC(=C/C=C/C=C(C)/C=C/C=C(C) /C(O)=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)\ C=C\C=C(C)\C#CC2=C(C)C[C@@H](O)CC2(C)C; CC1=C(C(CC(C1)O)(C)C)C#CC(=CC=CC(=CC=CC= C(C)C=CC=C(C)C(=CC(=O)C2(CC(CC2(C)C)O)C) O)C)C; CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(= C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=C/ C(=O)[C@@]2(C[C@H](CC2(C)C)O)C)/O)/C)/C |
(2~{Z},4~{E},6~{E},8~{E},10~{E},12~{E},14~{E},16~{E})-4,8,13,17-tetramethyl-3-oxidanyl-19-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]-1-[(1~{R},4~{S})-1,2,2-trimethyl-4-oxidanyl-cyclopentyl]nonadeca-2,4,6,8,10,12,14,16-octaen-18-yn-1-one; mytiloxanthin |
| 35397 |  O1V CHEMBL4297644 DB16330 |
4 | C17 H19 N5 O S | InChI=1S/C17H19N5OS/c1-9- 11(8-18-21-9)14-7-12-15(2 4-14)17(23)20-16(19-12)13 -6-10-2-4-22(13)5-3-10/h7 -8,10,13H,2-6H2,1H3,(H,18 ,21)(H,19,20,23)/t13-/m0/ s1; XGVXKJKTISMIOW-ZDUSSCGKSA-N |
Cc1c(cn[nH]1)c2cc3c(s2)C(=O)NC(=N3)[C@@H ]4CC5CCN4CC5; Cc1[nH]ncc1c2sc3C(=O)NC(=N c3c2)[C@@H]4CC5CCN4CC5; Cc1c(cn[nH]1)c2c c3c(s2)C(=O)NC(=N3)C4CC5CCN4CC5; Cc1[nH] ncc1c2sc3C(=O)NC(=Nc3c2)[CH]4CC5CCN4CC5; n1c(c(cn1)c2sc3c(c2)N=C(NC3=O)C5CC4CCN5 CC4)C |
2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one |
| 35398 |  O1W CHEMBL3967609 |
1 | C24 H33 N9 O2 | InChI=1S/C24H33N9O2/c1-14 (2)26-22-24-30-29-17(5)32 (24)11-19(27-22)23-28-18- 10-25-21(31-7-8-35-13-15( 31)3)9-20(18)33(23)16(4)1 2-34-6/h9-11,14-16H,7-8,1 2-13H2,1-6H3,(H,26,27)/t1 5-,16-/m0/s1; JZCZJRBLMNHFSU-HOTGVXAUSA-N |
Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3C(C) COC)N5CCOCC5C; COC[CH](C)n1c2cc(ncc2nc1c 3cn4c(C)nnc4c(NC(C)C)n3)N5CCOC[CH]5C; Cc 1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H] (C)COC)N5CCOC[C@@H]5C; COC[C@H](C)n1c2cc (ncc2nc1c3cn4c(C)nnc4c(NC(C)C)n3)N5CCOC[ C@@H]5C |
6-[1-[(2~{S})-1-methoxypropan-2-yl]-6-[(3~{S})-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-~{N}-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine |
| 35399 |  O1X |
1 | C10 H12 F2 N2 O2 | InChI=1S/C10H12F2N2O2/c1- 6-3-4-13-5-8(6)14-9(15)7( 2)16-10(11)12/h3-5,7,10H, 1-2H3,(H,14,15)/t7-/m0/s1; XVSORZZOZIKMAO-ZETCQYMHSA-N |
Cc1ccncc1NC(=O)C(C)OC(F)F; O=C(Nc1cnccc1 C)C(C)OC(F)F; C[CH](OC(F)F)C(=O)Nc1cnccc 1C; C[C@H](OC(F)F)C(=O)Nc1cnccc1C; Cc1cc ncc1NC(=O)[C@H](C)OC(F)F |
(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide |
| 35400 |  O1Y |
3 | C22 H24 Cl2 N8 O5 | InChI=1S/C22H24Cl2N8O5/c1 -5-17(34)27-12-10-32(6-7- 33)30-21(12)28-15-9-16(26 -11-25-15)31(2)22(35)29-2 0-18(23)13(36-3)8-14(37-4 )19(20)24/h5,8-11,33H,1,6 -7H2,2-4H3,(H,27,34)(H,29 ,35)(H,25,26,28,30); HSSHOHYWEFZQKI-UHFFFAOYSA-N |
CN(c1cc(ncn1)Nc2c(cn(n2)CCO)NC(=O)C=C)C( =O)Nc3c(c(cc(c3Cl)OC)OC)Cl; COc1cc(OC)c( Cl)c(NC(=O)N(C)c2cc(Nc3nn(CCO)cc3NC(=O)C =C)ncn2)c1Cl; c3(c(c(NC(N(c2cc(Nc1c(NC(/ C=C)=O)cn(CCO)n1)ncn2)C)=O)c(Cl)c(c3)OC) Cl)OC |
N-{3-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-1-(2-hydroxyethyl)-1H-pyrazol-4-yl}prop-2-enamide |