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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 34001 | MY1 DB08229 ZINC000053683031 |
0 | C20 H23 N3 O5 | InChI=1S/C20H23N3O5/c21-2 3(14-19(26)27)18(25)11-17 (24)20(28)22(12-15-7-3-1- 4-8-15)13-16-9-5-2-6-10-1 6/h1-10,17,24H,11-14,21H2 ,(H,26,27)/t17-/m0/s1; JGMMFVVACJREFE-KRWDZBQOSA-N |
NN(CC(O)=O)C(=O)C[CH](O)C(=O)N(Cc1ccccc1 )Cc2ccccc2; c1ccc(cc1)CN(Cc2ccccc2)C(=O) [C@H](CC(=O)N(CC(=O)O)N)O; O=C(O)CN(N)C( =O)CC(O)C(=O)N(Cc1ccccc1)Cc2ccccc2; NN(C C(O)=O)C(=O)C[C@H](O)C(=O)N(Cc1ccccc1)Cc 2ccccc2; c1ccc(cc1)CN(Cc2ccccc2)C(=O)C(C C(=O)N(CC(=O)O)N)O |
[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID |
| 34002 | MY2 ZINC000058638796 |
0 | C13 H16 N2 O6 | InChI=1S/C13H16N2O6/c14-1 5(7-12(18)19)11(17)6-10(1 6)13(20)21-8-9-4-2-1-3-5- 9/h1-5,10,16H,6-8,14H2,(H ,18,19)/t10-/m0/s1; VKMHPJLHWKEYJZ-JTQLQIEISA-N |
NN(CC(O)=O)C(=O)C[CH](O)C(=O)OCc1ccccc1; c1ccc(cc1)COC(=O)[C@H](CC(=O)N(CC(=O)O) N)O; O=C(O)CN(N)C(=O)CC(O)C(=O)OCc1ccccc 1; c1ccc(cc1)COC(=O)C(CC(=O)N(CC(=O)O)N) O; NN(CC(O)=O)C(=O)C[C@H](O)C(=O)OCc1ccc cc1 |
{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID |
| 34003 | MY3 ZINC000058649538 |
0 | C13 H17 N3 O5 | InChI=1S/C13H17N3O5/c14-1 6(8-12(19)20)11(18)6-10(1 7)13(21)15-7-9-4-2-1-3-5- 9/h1-5,10,17H,6-8,14H2,(H ,15,21)(H,19,20)/t10-/m0/ s1; ROPIKOKIAWFVJE-JTQLQIEISA-N |
c1ccc(cc1)CNC(=O)C(CC(=O)N(CC(=O)O)N)O; NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCc1ccccc1; c1ccc(cc1)CNC(=O)[C@H](CC(=O)N(CC(=O)O) N)O; NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCc1c cccc1; O=C(O)CN(N)C(=O)CC(O)C(=O)NCc1ccc cc1 |
[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO] - ACETIC ACID |
| 34004 | MY4 ZINC000058649540 |
0 | C14 H19 N3 O5 | InChI=1S/C14H19N3O5/c15-1 7(9-13(20)21)12(19)8-11(1 8)14(22)16-7-6-10-4-2-1-3 -5-10/h1-5,11,18H,6-9,15H 2,(H,16,22)(H,20,21)/t11- /m0/s1; FAEIAIPIEHOWKC-NSHDSACASA-N |
c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O; NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1cccc c1; c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(= O)O)N)O; NN(CC(O)=O)C(=O)C[CH](O)C(=O)NC Cc1ccccc1; O=C(O)CN(N)C(=O)CC(O)C(=O)NCC c1ccccc1 |
(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID |
| 34005 | MY5 ZINC000058651074 |
0 | C16 H22 N4 O6 | InChI=1S/C16H22N4O6/c1-10 (15(25)18-8-11-5-3-2-4-6- 11)19-16(26)12(21)7-13(22 )20(17)9-14(23)24/h2-6,10 ,12,21H,7-9,17H2,1H3,(H,1 8,25)(H,19,26)(H,23,24)/t 10-,12-/m0/s1; JZPDINAZOJYWHO-JQWIXIFHSA-N |
C[CH](NC(=O)[CH](O)CC(=O)N(N)CC(O)=O)C(= O)NCc1ccccc1; O=C(O)CN(N)C(=O)CC(O)C(=O) NC(C(=O)NCc1ccccc1)C; CC(C(=O)NCc1ccccc1 )NC(=O)C(CC(=O)N(CC(=O)O)N)O; C[C@@H](C( =O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O) O)N)O; C[C@H](NC(=O)[C@@H](O)CC(=O)N(N)C C(O)=O)C(=O)NCc1ccccc1 |
{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID |
| 34006 | MY6 ZINC000008613011 |
16 | C6 H7 N5 O | InChI=1S/C6H7N5O/c1-11-2- 8-4-3(11)5(12)10-6(7)9-4/ h2H,1H3,(H3,7,9,10,12); FZWGECJQACGGTI-UHFFFAOYSA-N |
Cn1cnc2N=C(N)NC(=O)c12; Cn1cnc2c1C(=O)NC (=N2)N; O=C1c2c(N=C(N1)N)ncn2C |
2-amino-7-methyl-1,7-dihydro-6H-purin-6-one |
| 34007 | MY7 | 2 | C18 H14 N4 O3 | InChI=1S/C18H14N4O3/c1-10 -15(11-5-3-2-4-6-11)16(23 )22(21-10)18-19-13-8-7-12 (17(24)25)9-14(13)20-18/h 2-9,15H,1H3,(H,19,20)(H,2 4,25)/t15-/m0/s1; IRYCJDGHIUCPHS-HNNXBMFYSA-N |
CC1=NN(C(=O)C1c2ccccc2)c3[nH]c4cc(ccc4n3 )C(=O)O; CC1=NN(C(=O)[CH]1c2ccccc2)c3[nH ]c4cc(ccc4n3)C(O)=O; CC1=NN(C(=O)[C@@H]1 c2ccccc2)c3[nH]c4cc(ccc4n3)C(O)=O |
2-(3-methyl-5-oxidanylidene-4-phenyl-4~{H}-pyrazol-1-yl)-3~{H}-benzimidazole-5-carboxylic acid |
| 34008 | MY8 ZINC000584905785 |
2 | C29 H49 N O6 | InChI=1S/C29H49NO6/c1-9-2 5-18(2)12-10-11-13-24(31) 20(4)16-21(5)28(19(3)14-1 5-26(32)35-25)36-29-27(33 )23(30(7)8)17-22(6)34-29/ h10-15,18-25,27-29,31,33H ,9,16-17H2,1-8H3/b12-10+, 13-11+,15-14+/t18-,19-,20 +,21-,22+,23-,24+,25+,27+ ,28+,29-/m0/s1; ZWHLYXQJICTUSD-JUFBBUGVSA-N |
CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C @@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2 [C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C ; CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@ @H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H ](C)C[C@@H](C)[C@H](O)/C=C/C=C/[C@@H]1C; CCC1C(C=CC=CC(C(CC(C(C(C=CC(=O)O1)C)OC2 C(C(CC(O2)C)N(C)C)O)C)C)O)C; CC[CH]1OC(= O)C=C[CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH ]2O)N(C)C)[CH](C)C[CH](C)[CH](O)C=CC=C[C H]1C |
Mycinamicin VIII |
| 34009 | MY9 CHEMBL1234552 ZINC000024819433 |
1 | C33 H40 F N5 O6 S | InChI=1S/C33H40FN5O6S/c1- 20(22-12-14-25(34)15-13-2 2)35-30(41)23-17-24(19-26 (18-23)39(5)46(6,44)45)31 (42)36-27(16-21-10-8-7-9- 11-21)29(40)28-32(43)38(4 )33(2,3)37-28/h7-15,17-20 ,27-29,37,40H,16H2,1-6H3, (H,35,41)(H,36,42)/t20-,2 7+,28+,29+/m1/s1; YNXGIROKYOHHJW-UFAZYNLISA-N |
C[CH](NC(=O)c1cc(cc(c1)C(=O)N[CH](Cc2ccc cc2)[CH](O)[CH]3NC(C)(C)N(C)C3=O)N(C)[S] (C)(=O)=O)c4ccc(F)cc4; C[C@@H](NC(=O)c1c c(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)[ C@@H]3NC(C)(C)N(C)C3=O)N(C)[S](C)(=O)=O) c4ccc(F)cc4; C[C@H](c1ccc(cc1)F)NC(=O)c2 cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3 ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O ; O=C1N(C)C(NC1C(O)C(NC(=O)c3cc(N(C)S(=O )(=O)C)cc(C(=O)NC(c2ccc(F)cc2)C)c3)Cc4cc ccc4)(C)C; CC(c1ccc(cc1)F)NC(=O)c2cc(cc( c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(C4 C(=O)N(C(N4)(C)C)C)O |
N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE |
| 34010 | MYA DB02180 ZINC000195445287 |
182 | C35 H62 N7 O17 P3 S | InChI=1S/C35H62N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-26(44)63-19-18-37- 25(43)16-17-38-33(47)30(4 6)35(2,3)21-56-62(53,54)5 9-61(51,52)55-20-24-29(58 -60(48,49)50)28(45)34(57- 24)42-23-41-27-31(36)39-2 2-40-32(27)42/h22-24,28-3 0,34,45-46H,4-21H2,1-3H3, (H,37,43)(H,38,47)(H,51,5 2)(H,53,54)(H2,36,39,40)( H2,48,49,50)/t24-,28-,29- ,30+,34-/m1/s1; DUAFKXOFBZQTQE-QSGBVPJFSA-N |
CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C )(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cn c3c2ncnc3N)O)OP(=O)(O)O)O; O=C(SCCNC(=O) CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC C3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C CCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)SCCNC(=O )CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P]( O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O )=O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCC(=O) SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O )OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1 )n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCCCC CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)( C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]( [C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)nc nc23 |
TETRADECANOYL-COA; MYRISTOYL-COA |
| 34011 | MYB ZINC000098209195 |
4 | C20 H39 N O4 | InChI=1S/C20H39NO4/c1-2-3 -4-10-13-17(23)14-11-8-6- 5-7-9-12-15-19(24)20(25)1 8(21)16-22/h9,12,18-20,22 ,24-25H,2-8,10-11,13-16,2 1H2,1H3/b12-9+/t18-,19+,2 0+/m0/s1; NXVWIVNGDXWOCH-INRCJLNUSA-N |
CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H ](CO)N)O)O; O=C(CCCCCC)CCCCCC/C=C/CC(O)C (O)C(N)CO; CCCCCCC(=O)CCCCCCC=CCC(C(C(CO )N)O)O; CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH] (O)[CH](N)CO; CCCCCCC(=O)CCCCCC\C=C\C[C@ @H](O)[C@H](O)[C@@H](N)CO |
Decarboxylated Myriocin |
| 34012 | MYC CHEMBL164 DB02375 ZINC000003874317 |
33 | C15 H10 O8 | InChI=1S/C15H10O8/c16-6-3 -7(17)11-10(4-6)23-15(14( 22)13(11)21)5-1-8(18)12(2 0)9(19)2-5/h1-4,16-20,22H; IKMDFBPHZNJCSN-UHFFFAOYSA-N |
O=C1c3c(OC(=C1O)c2cc(O)c(O)c(O)c2)cc(O)c c3O; c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(c c3O2)O)O)O; Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3 cc(O)c(O)c(O)c3)O |
3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; 2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE; 3,3',4',5,5',7-HEXAHYDROXYFLAVONE; MYRICETIN; CANNABISCETIN |
| 34013 | MYD CHEMBL410744 ZINC000028864941 |
2 | C23 H29 N5 O13 P2 | InChI=1S/C23H29N5O13P2/c1 -10-12-5-38-23(32)14(12)1 6(29)11(19(10)37-2)3-4-39 -42(33,34)9-43(35,36)40-6 -13-17(30)18(31)22(41-13) 28-8-27-15-20(24)25-7-26- 21(15)28/h7-8,13,17-18,22 ,29-31H,3-6,9H2,1-2H3,(H, 33,34)(H,35,36)(H2,24,25, 26)/t13-,17-,18-,22-/m1/s 1; AMYUZLUBFKOUEX-JKWAKEATSA-N |
COc1c(C)c2COC(=O)c2c(O)c1CCO[P](O)(=O)C[ P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn c5c(N)ncnc45; Cc1c2c(c(c(c1OC)CCOP(=O)(C P(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O) O)O)C(=O)OC2; Cc1c2c(c(c(c1OC)CCO[P@](=O )(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@ H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)OC2; O =C5OCc1c5c(O)c(c(OC)c1C)CCOP(=O)(O)CP(=O )(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O; COc 1c(C)c2COC(=O)c2c(O)c1CCO[P@](O)(=O)C[P@ ](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O) n4cnc5c(N)ncnc45 |
{[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER; C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE |
| 34014 | MYE DB04234 ZINC000012504234 |
1 | C20 H29 Br N2 O4 | InChI=1S/C20H29BrN2O4/c1- 4-5-6-17(12-24)22-19(25)1 8(11-14(2)3)23-20(26)27-1 3-15-7-9-16(21)10-8-15/h7 -10,12,14,17-18H,4-6,11,1 3H2,1-3H3,(H,22,25)(H,23, 26)/t17-,18-/m0/s1; UEDKSAKLZBMNMA-ROUUACIJSA-N |
CCCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccc (Br)cc1)C=O; CCCC[C@H](NC(=O)[C@H](CC(C) C)NC(=O)OCc1ccc(Br)cc1)C=O; CCCCC(C=O)NC (=O)C(CC(C)C)NC(=O)OCc1ccc(cc1)Br; CCCC[ C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1c cc(cc1)Br; Brc1ccc(cc1)COC(=O)NC(C(=O)NC (C=O)CCCC)CC(C)C |
N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE |
| 34015 | MYF CHEMBL247484 DB08230 ZINC000013520048 |
3 | C15 H10 O7 | InChI=1S/C15H10O7/c16-7-3 -8(17)14-9(18)5-12(22-13( 14)4-7)6-1-10(19)15(21)11 (20)2-6/h1-5,16-17,19-21H; ARSRJFRKVXALTF-UHFFFAOYSA-N |
O=C1c3c(OC(=C1)c2cc(O)c(O)c(O)c2)cc(O)cc 3O; c1c(cc(c(c1O)O)O)C2=CC(=O)c3c(cc(cc3 O2)O)O; Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cc(O) c(O)c(O)c3 |
5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; 2-(3,4,5-TRIHYDROXYPHENYL)-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE; PENTAHYDROXYFLAVONE |
| 34016 | MYG ZINC000100069882 |
1 | C12 H23 N O10 | InChI=1S/C12H23NO10/c13-3 -5(16)4(15)2(1-14)22-12(3 )23-11-9(20)7(18)6(17)8(1 9)10(11)21/h2-12,14-21H,1 ,13H2/t2-,3-,4-,5-,6-,7-, 8-,9+,10-,11-,12-/m1/s1; HEPUIGACZYVUCD-YZRQSVRMSA-N |
C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N) O)O)O; N[C@@H]1[C@@H](O)[C@H](O)[C@@H](C O)O[C@@H]1O[C@H]2[C@H](O)[C@H](O)[C@H](O )[C@@H](O)[C@@H]2O; O(C1C(O)C(O)C(O)C(O) C1O)C2OC(C(O)C(O)C2N)CO; N[CH]1[CH](O)[C H](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[ CH](O)[CH](O)[CH]2O; C([C@@H]1[C@H]([C@@ H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@ H]([C@@H]2O)O)O)O)O)N)O)O)O |
(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside; GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucoside; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-D-glucoside; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-glucoside |
| 34017 | MYI CHEMBL85433 ZINC000000057162 |
11 | C11 H11 N O3 | InChI=1S/C11H11NO3/c1-15- 8-2-3-10-9(5-8)7(6-12-10) 4-11(13)14/h2-3,5-6,12H,4 H2,1H3,(H,13,14); COCNDHOPIHDTHK-UHFFFAOYSA-N |
COc1ccc2c(c1)c(c[nH]2)CC(=O)O; COc1ccc2[ nH]cc(CC(O)=O)c2c1 |
(5-methoxy-1H-indol-3-yl)acetic acid; 5-methoxy-indole acetate |
| 34018 | MYJ CHEMBL107610 ZINC000025723409 |
2 | C7 H7 N O3 | InChI=1S/C7H7NO3/c1-5-4-6 (8(10)11)2-3-7(5)9/h2-4,9 H,1H3; KDQPMQNHVQVVMR-UHFFFAOYSA-N |
Cc1cc(ccc1O)N(=O)=O; Cc1cc(ccc1O)[N](=O) =O; Cc1c(O)ccc(c1)N(=O)=O |
2-methyl-4-nitrophenol |
| 34019 | MYK | 0 | C20 H40 N2 O3 | InChI=1S/C20H40N2O3/c1-2- 3-4-5-6-7-8-9-10-11-12-16 -19(23)22-17-14-13-15-18( 21)20(24)25/h18H,2-17,21H 2,1H3,(H,22,23)(H,24,25)/ t18-/m0/s1; XTLFOGNEQSPWGW-SFHVURJKSA-N |
CCCCCCCCCCCCCC(=O)NCCCC[CH](N)C(O)=O; CC CCCCCCCCCCCC(=O)NCCCCC(C(=O)O)N; O=C(O)C (N)CCCCNC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCC CC(=O)NCCCC[C@@H](C(=O)O)N; CCCCCCCCCCCC CC(=O)NCCCC[C@H](N)C(O)=O |
N~6~-tetradecanoyl-L-lysine; N6-myristoyl lysine |
| 34020 | MYL CHEMBL497719 ZINC000026175752 |
1 | C24 H41 N O10 | InChI=1S/C24H41NO10/c1-12 -9-24(31-7,35-14(3)13(12) 2)19(28)21(29)25-22-18-17 (32-11-33-22)20(30-6)23(4 ,5)16(34-18)8-15(27)10-26 /h13-20,22,26-28H,1,8-11H 2,2-7H3,(H,25,29)/t13-,14 -,15+,16-,17+,18+,19-,20- ,22-,24-/m1/s1; IJASURGZDJYQGF-RXLGVIKCSA-N |
CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC (CO)O)(C)C)OC)OCO2)O)OC)C; CO[C@@H]1[C@H ]2OCO[C@@H](NC(=O)[C@@H](O)[C@]3(CC(=C)[ C@@H](C)[C@@H](C)O3)OC)[C@H]2O[C@H](C[C@ H](O)CO)C1(C)C; CO[CH]1[CH]2OCO[CH](NC(= O)[CH](O)[C]3(CC(=C)[CH](C)[CH](C)O3)OC) [CH]2O[CH](C[CH](O)CO)C1(C)C; O=C(NC2OCO C1C(OC)C(C(OC12)CC(O)CO)(C)C)C(O)C3(OC)O C(C)C(C(=C)/C3)C; C[C@H]1[C@H](O[C@](CC1 =C)([C@@H](C(=O)N[C@H]2[C@@H]3[C@@H]([C@ H](C([C@H](O3)C[C@@H](CO)O)(C)C)OC)OCO2) O)OC)C |
Mycalamide A; (2S)-N-{(4R,4aS,6R,8S,8aR)-6-[(2S)-2,3-dihydroxypropyl]-8-methoxy-7,7-dimethylhexahydropyrano[3,2-d][1,3]dioxin-4-yl}-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylidenetetrahydro-2H-pyran-2-yl]ethanamide |
| 34021 | MYM | 1 | C31 H51 N2 O9 P S | InChI=1S/C31H51N2O9PS/c1- 19-17-31-11-7-20(19)15-22 (31)29(4)9-6-10-30(5,21(2 9)16-23(31)34)27(38)44-14 -13-32-24(35)8-12-33-26(3 7)25(36)28(2,3)18-42-43(3 9,40)41/h20-23,25,34,36H, 1,6-18H2,2-5H3,(H,32,35)( H,33,37)(H2,39,40,41)/t20 -,21-,22-,23+,25-,29+,30+ ,31+/m0/s1; PHQDCKXVLPNCFQ-HHFPKWFXSA-N |
C(CNC(CCNC(C(C(COP(O)(O)=O)(C)C)O)=O)=O) SC(=O)C1(C)CCCC4(C)C1CC(O)C32C4CC(/C(C2) =C)CC3; CC(C)(CO[P](O)(O)=O)[CH](O)C(=O) NCCC(=O)NCCSC(=O)[C]1(C)CCC[C]2(C)[CH]1C [CH](O)[C]34CC[CH](C[CH]23)C(=C)C4; C[C@ @]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[ C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC (=O)[C@@H](C(C)(C)COP(=O)(O)O)O; CC(C)(C O[P](O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCSC (=O)[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O) [C@@]34CC[C@@H](C[C@@H]23)C(=C)C4; CC12C CCC(C1CC(C34C2CC(CC3)C(=C)C4)O)(C)C(=O)S CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O |
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,12alpha)-7-hydroxyatis-16-ene-18-thioate |
| 34022 | MYN | 1 | C6 H12 N4 O2 | InChI=1S/C6H12N4O2/c7-4(5 (11)12)3-1-2-9-6(8)10-3/h 3-4H,1-2,7H2,(H,11,12)(H3 ,8,9,10)/t3-,4+/m1/s1; XHNWDEHKMJLKGG-DMTCNVIQSA-N |
N[C@@H]([C@H]1CCNC(=N1)N)C(O)=O; N[CH]([ CH]1CCNC(=N1)N)C(O)=O; C1CNC(=NC1C(C(=O) O)N)N; C1CNC(=N[C@H]1[C@@H](C(=O)O)N)N |
(2S)-amino[(4R)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid |
| 34023 | MYO | 1 | C5 H5 N3 O4 | InChI=1S/C5H5N3O4/c6-1-2( 4(9)10)7-8-3(1)5(11)12/h6 H2,(H,7,8)(H,9,10)(H,11,1 2); IGUCGPRNZVGVNO-UHFFFAOYSA-N |
c1(c([nH]nc1C(=O)O)C(=O)O)N; Nc1c([nH]nc 1C(O)=O)C(O)=O |
4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid |
| 34024 | MYP | 2 | C31 H42 N4 O5 S | InChI=1S/C31H42N4O5S/c1-2 -9-26(16-23-41(38,39)28-1 2-7-4-8-13-28)32-30(36)29 (24-25-10-5-3-6-11-25)33- 31(37)35-17-14-27(15-18-3 5)34-19-21-40-22-20-34/h3 -8,10-13,16,23,26-27,29H, 2,9,14-15,17-22,24H2,1H3, (H,32,36)(H,33,37)/t26-,2 9-/m0/s1; OFBHNKJTHNHXQT-WNJJXGMVSA-N |
CCC[C@@H](C=CS(=O)(=O)c1ccccc1)NC(=O)[C@ H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4; C CCC(C=CS(=O)(=O)c1ccccc1)NC(=O)C(Cc2cccc c2)NC(=O)N3CCC(CC3)N4CCOCC4; O=S(=O)(c1c cccc1)/C=C/C(NC(=O)C(NC(=O)N3CCC(N2CCOCC 2)CC3)Cc4ccccc4)CCC; CCC[CH](NC(=O)[CH]( Cc1ccccc1)NC(=O)N2CC[CH](CC2)N3CCOCC3)C= C[S](=O)(=O)c4ccccc4; CCC[C@H](NC(=O)[C@ H](Cc1ccccc1)NC(=O)N2CC[C@@H](CC2)N3CCOC C3)/C=C/[S](=O)(=O)c4ccccc4 |
4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE |
| 34025 | MYQ | 1 | C4 H5 Au O4 S | InChI=1S/C4H6O4S.Au/c5-3( 6)1-2(9)4(7)8;/h2,9H,1H2, (H,5,6)(H,7,8);/q;+1/p-1/ t2-;/m0./s1; XJHSMFDIQHVMCY-DKWTVANSSA-M |
O=C(O)CC(S[Au])C(=O)O; C([C@@H](C(=O)O)S [Au])C(=O)O; OC(=O)C[CH](S[Au])C(O)=O; C (C(C(=O)O)S[Au])C(=O)O; OC(=O)C[C@H](S[A u])C(O)=O |
(S)-(1,2-DICARBOXYETHYLTHIO)GOLD; MYOCRISIN |
| 34026 | MYR CHEMBL111077 DB08231 ZINC000001530417 |
61 | C14 H28 O2 | InChI=1S/C14H28O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4(15)16/h2-13H2,1H3,(H,15 ,16); TUNFSRHWOTWDNC-UHFFFAOYSA-N |
CCCCCCCCCCCCCC(O)=O; CCCCCCCCCCCCCC(=O)O ; O=C(O)CCCCCCCCCCCCC |
MYRISTIC ACID |
| 34027 | MYS CHEMBL1234557 ZINC000001531089 |
0 | C15 H32 | InChI=1S/C15H32/c1-3-5-7- 9-11-13-15-14-12-10-8-6-4 -2/h3-15H2,1-2H3; YCOZIPAWZNQLMR-UHFFFAOYSA-N |
CCCCCCCCCCCCCCC; C(CCCCCC)CCCCCCCC | PENTADECANE |
| 34028 | MYT CHEMBL934 DB01011 ZINC000000001728 |
5 | C14 H14 N2 O | InChI=1S/C14H14N2O/c1-14( 2,12-6-4-8-16-10-12)13(17 )11-5-3-7-15-9-11/h3-10H, 1-2H3; FJLBFSROUSIWMA-UHFFFAOYSA-N |
O=C(c1cccnc1)C(c2cccnc2)(C)C; CC(C)(c1cc cnc1)C(=O)c2cccnc2 |
METYRAPONE |
| 34029 | MYU CHEMBL413552 ZINC000005784821 |
2 | C15 H10 O8 | InChI=1S/C15H10O8/c16-6-2 -1-5(3-7(6)17)15-14(22)13 (21)10-9(23-15)4-8(18)11( 19)12(10)20/h1-4,16-20,22 H; ZVOLCUVKHLEPEV-UHFFFAOYSA-N |
c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2) O)O)O; Oc1ccc(cc1O)C2=C(O)C(=O)c3c(O)c(O )c(O)cc3O2; O=C1c3c(O)c(O)c(O)cc3OC(=C1O )c2ccc(O)c(O)c2 |
3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; 2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE; 2-(3,4-DIHYDROXYPHENYL)-4H-CHROMENE-3,5,6,7-TETRAOL; QUERCETAGETIN |
| 34030 | MYV ZINC000095628051 |
4 | C37 H61 N O12 | InChI=1S/C37H61NO12/c1-11 -28-37(43,20-46-36-34(45- 10)33(44-9)30(41)25(6)48- 36)17-13-12-14-27(39)22(3 )18-23(4)32(21(2)15-16-29 (40)49-28)50-35-31(42)26( 38(7)8)19-24(5)47-35/h12- 17,21-26,28,30-36,41-43H, 11,18-20H2,1-10H3/b14-12+ ,16-15+,17-13+/t21-,22+,2 3-,24+,25+,26-,28+,30+,31 +,32+,33+,34+,35-,36+,37- /m0/s1; YZYNKVRRUWKKRX-JGPZLTFNSA-N |
CC[C@@H]1[C@](\C=C\C=C\C(=O)[C@@H](C[C@@ H]([C@@H]([C@H](\C=C\C(=O)O1)C)O[C@H]2[C @@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C @H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC )OC)O; CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O )O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)(COC3C( C(C(C(O3)C)O)OC)OC)O; CC[C@H]1OC(=O)\C=C \[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H] ([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\ C=C\C=C\[C@]1(O)CO[C@@H]3O[C@H](C)[C@@H] (O)[C@@H](OC)[C@H]3OC; CC[CH]1OC(=O)C=C[ CH](C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N( C)C)[CH](C)C[CH](C)C(=O)C=CC=C[C]1(O)CO[ CH]3O[CH](C)[CH](O)[CH](OC)[CH]3OC |
MYCINAMICIN V |
| 34031 | MYW | 1 | C5 H8 B9 N O2 S | InChI=1S/C5H8B9NO2S/c15-1 8(16,17)3-1-2-5-4-6-8-7(5 )11(5)9(4,5)10(4,6)12(6,8 )13(7,8,11)14(9,10,11)12/ h1-3H2,(H2,15,16,17)/q+1; XHKOWSMMXUGPDO-UHFFFAOYSA-N |
B123B45B167B289B31B823B966B744B622C45[C+ ]321CCCS(=O)(=O)N; N[S](=O)(=O)CCC[C+]12 3[B]45[B+]67[B-]89[C@]1%10[B]8%11%12[B]6 9%13[B]47%14[B]25%15[B]3%10%11[B]%12%13% 14%15; B123B45B167B289B31B823B966B744B62 2[C@@]45[C+]321CCCS(=O)(=O)N; N[S](=O)(= O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8 %11%12[B]69%13[B]47%14[B]25%15[B]3%10%11 [B]%12%13%14%15 |
Nidocarborane |
| 34032 | MYX CHEMBL454568 DB04741 ZINC000012504487 |
3 | C25 H33 N3 O3 S2 | InChI=1S/C25H33N3O3S2/c1- 16(2)9-7-8-10-17(3)24-28- 20(15-33-24)25-27-19(14-3 2-25)11-12-21(30-5)18(4)2 2(31-6)13-23(26)29/h7-18, 21H,1-6H3,(H2,26,29)/b9-7 +,10-8+,12-11+,22-13+/t17 -,18+,21-/m0/s1; XKTFQMCPGMTBMD-FYHMSGCOSA-N |
CC(C)C=CC=CC(C)c1nc(cs1)c2nc(cs2)C=CC(C( C)C(=CC(=O)N)OC)OC; CO[C@@H](\C=C\c1csc( n1)c2csc(n2)[C@@H](C)\C=C\C=C\C(C)C)[C@@ H](C)C(\OC)=C/C(N)=O; O=C(N)\C=C(\OC)C(C )C(OC)/C=C/c1nc(sc1)c2nc(sc2)C(\C=C\C=C\ C(C)C)C; C[C@@H](/C=C/C=C/C(C)C)c1nc(cs1 )c2nc(cs2)/C=C/[C@@H]([C@@H](C)/C(=C\C(= O)N)/OC)OC; CO[CH](C=Cc1csc(n1)c2csc(n2) [CH](C)C=CC=CC(C)C)[CH](C)C(OC)=CC(N)=O |
(2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E; 7-[2'-(1,6-DIMETHYL-HEPTA-2,4-DIENYL)-[2,4']BITHIAZOLYL-4-YL]-3,5-DIMETHOXY-4-METHYL-HEPTA-2,6-DIENOIC ACID AMIDE; MYXOTHIAZOL |
| 34033 | MYY ZINC000016051571 |
0 | C33 H65 O8 P | InChI=1S/C33H65O8P/c1-3-5 -7-9-11-13-15-16-18-19-21 -23-25-27-32(34)39-29-31( 30-40-42(36,37)38)41-33(3 5)28-26-24-22-20-17-14-12 -10-8-6-4-2/h31H,3-30H2,1 -2H3,(H2,36,37,38)/t31-/m 1/s1; GLOXZZHEZYKXNV-WJOKGBTCSA-N |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O )OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(= O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)( O)=O)OC(=O)CCCCCCCCCCCCC; O=P(O)(OCC(OC( =O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC) O; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O C(=O)CCCCCCCCCCCCC |
(2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE |
| 34034 | MYZ CHEMBL456732 ZINC000004529321 |
4 | C14 H26 O2 | InChI=1S/C14H26O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4(15)16/h5-6H,2-4,7-13H2, 1H3,(H,15,16)/b6-5-; YWWVWXASSLXJHU-WAYWQWQTSA-N |
CCCC/C=C\CCCCCCCC(=O)O; CCCCC=CCCCCCCCC( =O)O; CCCC\C=C/CCCCCCCC(O)=O; CCCCC=CCCC CCCCC(O)=O; O=C(O)CCCCCCC\C=C/CCCC |
Myristoleic acid; Z-tetradec-9-enoic acid |
| 34035 | MZ0 CHEMBL1397797 ZINC000003861563 |
4 | C4 H6 N2 O | InChI=1S/C4H6N2O/c7-2-4-1 -5-3-6-4/h1,3,7H,2H2,(H,5 ,6); QDYTUZCWBJRHKK-UHFFFAOYSA-N |
c1c([nH]cn1)CO; OCc1cncn1; OCc1[nH]cnc1 | 1H-imidazol-5-ylmethanol; 4(5)-(hydroxymethyl)imidazole |
| 34036 | MZ1 CHEMBL514175 ZINC000016052443 |
2 | C26 H28 F3 N3 O5 S2 | InChI=1S/C26H28F3N3O5S2/c 1-16(30-17(2)33)26(35)31- 23(11-18-7-4-3-5-8-18)24( 34)15-32(14-19-9-6-10-38- 19)39(36,37)25-13-21(28)2 0(27)12-22(25)29/h3-10,12 -13,16,23-24,34H,11,14-15 H2,1-2H3,(H,30,33)(H,31,3 5)/t16-,23-,24+/m0/s1; SQOYURLVDZJWFJ-VVMYJBMMSA-N |
CC(C(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(=O) (=O)c3cc(c(cc3F)F)F)O)NC(=O)C; C[C@@H](C (=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cc cs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C; C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)[CH]( O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F ; C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1) [C@H](O)CN(Cc2sccc2)[S](=O)(=O)c3cc(F)c( F)cc3F; O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O) C(NC(=O)C)C)Cc2ccccc2)c3cc(F)c(F)cc3F |
N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-L-ALANINAMIDE |
| 34037 | MZ2 ZINC000016052444 |
2 | C26 H24 F6 N2 O4 S2 | InChI=1S/C26H24F6N2O4S2/c 1-16(26(30,31)32)10-25(36 )33-22(11-17-6-3-2-4-7-17 )23(35)15-34(14-18-8-5-9- 39-18)40(37,38)24-13-20(2 8)19(27)12-21(24)29/h2-10 ,12-13,22-23,35H,11,14-15 H2,1H3,(H,33,36)/b16-10+/ t22-,23+/m0/s1; ZDEYHQOBNVRHPY-POAKBVNNSA-N |
CC(=CC(=O)NC(Cc1ccccc1)C(CN(Cc2cccs2)S(= O)(=O)c3cc(c(cc3F)F)F)O)C(F)(F)F; CC(=CC (=O)N[CH](Cc1ccccc1)[CH](O)CN(Cc2sccc2)[ S](=O)(=O)c3cc(F)c(F)cc3F)C(F)(F)F; O=S( =O)(N(Cc1sccc1)CC(O)C(NC(=O)\C=C(/C)C(F) (F)F)Cc2ccccc2)c3cc(F)c(F)cc3F; C/C(=C\C (=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cc cs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F ; CC(=C\C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C N(Cc2sccc2)[S](=O)(=O)c3cc(F)c(F)cc3F)/C (F)(F)F |
(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE |
| 34038 | MZ3 CHEMBL475279 ZINC000016052445 |
2 | C30 H31 F N2 O5 S2 | InChI=1S/C30H31FN2O5S2/c1 -21-26(14-7-15-27(21)31)3 0(35)32-28(17-22-9-4-3-5- 10-22)29(34)20-33(19-24-1 2-8-16-39-24)40(36,37)25- 13-6-11-23(18-25)38-2/h3- 16,18,28-29,34H,17,19-20H 2,1-2H3,(H,32,35)/t28-,29 +/m0/s1; AXUYLLZCOSCKTG-URLMMPGGSA-N |
COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH](Cc 2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4; COc 1cccc(c1)[S](=O)(=O)N(C[C@@H](O)[C@H](Cc 2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4; Cc1 c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C [N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O; O =S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2cccc(F) c2C)Cc3ccccc3)c4cccc(OC)c4; Cc1c(cccc1F) C(=O)NC(Cc2ccccc2)C(CN(Cc3cccs3)S(=O)(=O )c4cccc(c4)OC)O |
N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE |
| 34039 | MZ4 CHEMBL472844 ZINC000016052446 |
2 | C29 H30 N2 O7 S2 | InChI=1S/C29H30N2O7S2/c1- 38-22-9-5-11-24(17-22)40( 36,37)31(18-23-10-6-14-39 -23)19-28(34)25(15-20-7-3 -2-4-8-20)30-29(35)21-12- 13-26(32)27(33)16-21/h2-1 4,16-17,25,28,32-34H,15,1 8-19H2,1H3,(H,30,35)/t25- ,28+/m0/s1; VEWOLYUNGFMYJI-LBNVMWSVSA-N |
COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@ H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O) O; COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH] (Cc2ccccc2)NC(=O)c3ccc(O)c(O)c3)Cc4sccc4 ; O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2ccc( O)c(O)c2)Cc3ccccc3)c4cccc(OC)c4; COc1ccc c(c1)S(=O)(=O)N(Cc2cccs2)CC(C(Cc3ccccc3) NC(=O)c4ccc(c(c4)O)O)O; COc1cccc(c1)[S]( =O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O )c3ccc(O)c(O)c3)Cc4sccc4 |
N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3,4-DIHYDROXYBENZAMIDE |
| 34040 | MZ5 ZINC000016052447 |
2 | C27 H37 N3 O5 S2 | InChI=1S/C27H37N3O5S2/c1- 5-19(4)15-30(37(34,35)21- 11-12-22-25(14-21)36-17-2 8-22)16-24(31)23(13-20-9- 7-6-8-10-20)29-27(33)26(3 2)18(2)3/h6-12,14,17-19,2 3-24,26,31-32H,5,13,15-16 H2,1-4H3,(H,29,33)/t19-,2 3-,24+,26-/m0/s1; FGPQFSNHIAFDDH-VSTDWJMWSA-N |
CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)O) O)S(=O)(=O)c2ccc3c(c2)scn3; CC[C@H](C)C[ N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]( C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3; CC[C H](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH ](O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; O=C( NC(Cc1ccccc1)C(O)CN(CC(C)CC)S(=O)(=O)c2c cc3ncsc3c2)C(O)C(C)C; CC[C@H](C)CN(C[C@@ H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C) C)[S](=O)(=O)c2ccc3ncsc3c2 |
(2S)-N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-2-HYDROXY-3-METHYLBUTANAMIDE |
| 34041 | MZ6 ZINC000016052448 |
2 | C29 H33 N3 O5 S2 | InChI=1S/C29H33N3O5S2/c1- 3-20(2)17-32(39(36,37)24- 12-13-25-28(16-24)38-19-3 0-25)18-27(34)26(14-21-8- 5-4-6-9-21)31-29(35)22-10 -7-11-23(33)15-22/h4-13,1 5-16,19-20,26-27,33-34H,3 ,14,17-18H2,1-2H3,(H,31,3 5)/t20-,26-,27+/m0/s1; OIOKJSPMDFSKEA-SQMFLSJESA-N |
CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2) O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC[C@H](C) C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cc cc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC[C @H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O )c2cccc(O)c2)[S](=O)(=O)c3ccc4ncsc4c3; O =C(c1cccc(O)c1)NC(Cc2ccccc2)C(O)CN(CC(C) CC)S(=O)(=O)c3ccc4ncsc4c3; CC[CH](C)CN(C [CH](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2) [S](=O)(=O)c3ccc4ncsc4c3 |
N-[(1S,2R)-3-{(1,3-BENZOTHIAZOL-6-YLSULFONYL)[(2S)-2-METHYLBUTYL]AMINO}-1-BENZYL-2-HYDROXYPROPYL]-3-HYDROXYBENZAMIDE |
| 34042 | MZ7 CHEMBL514810 ZINC000016052449 |
2 | C29 H40 N4 O5 S2 | InChI=1S/C29H40N4O5S2/c1- 5-6-10-15-33(40(37,38)23- 13-14-24-27(17-23)39-19-3 0-24)18-26(35)25(16-22-11 -8-7-9-12-22)32-29(36)28( 20(2)3)31-21(4)34/h7-9,11 -14,17,19-20,25-26,28,35H ,5-6,10,15-16,18H2,1-4H3, (H,31,34)(H,32,36)/t25-,2 6+,28-/m0/s1; KSHUKVXBNWNYNR-REUBFRLUSA-N |
CCCCCN(CC(C(Cc1ccccc1)NC(=O)C(C(C)C)NC(= O)C)O)S(=O)(=O)c2ccc3c(c2)scn3; CCCCCN(C [CH](O)[CH](Cc1ccccc1)NC(=O)[CH](NC(C)=O )C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; CCCCCN( C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N C(C)=O)C(C)C)[S](=O)(=O)c2ccc3ncsc3c2; C CCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[ C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2 )scn3; O=C(NC(C(=O)NC(Cc1ccccc1)C(O)CN(C CCCC)S(=O)(=O)c2ccc3ncsc3c2)C(C)C)C |
N~2~-ACETYL-N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(PENTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-L-VALINAMIDE |
| 34043 | MZ8 CHEMBL457783 ZINC000016052450 |
2 | C28 H31 N3 O5 S2 | InChI=1S/C28H31N3O5S2/c1- 19(2)16-31(38(35,36)23-11 -12-24-27(15-23)37-18-29- 24)17-26(33)25(13-20-7-4- 3-5-8-20)30-28(34)21-9-6- 10-22(32)14-21/h3-12,14-1 5,18-19,25-26,32-33H,13,1 6-17H2,1-2H3,(H,30,34)/t2 5-,26+/m0/s1; MQZZULHKSPXDHA-IZZNHLLZSA-N |
CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O )c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)c2cccc(c2) O)O)S(=O)(=O)c3ccc4c(c3)scn4; CC(C)CN(C[ C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2cccc(O)c 2)[S](=O)(=O)c3ccc4ncsc4c3; CC(C)CN(C[CH ](O)[CH](Cc1ccccc1)NC(=O)c2cccc(O)c2)[S] (=O)(=O)c3ccc4ncsc4c3; O=C(c1cccc(O)c1)N C(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc 4ncsc4c3 |
N-{(1S,2R)-3-[(1,3-BENZOTHIAZOL-6-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3-HYDROXYBENZAMIDE |
| 34044 | MZ9 ZINC000043151755 |
2 | C28 H40 N2 O6 S | InChI=1S/C28H40N2O6S/c1-5 -21(3)19-30(37(34,35)25-1 5-13-24(36-4)14-16-25)20- 27(32)26(18-22-10-8-7-9-1 1-22)29-28(33)17-12-23(31 )6-2/h7-11,13-16,21,26-27 ,32H,5-6,12,17-20H2,1-4H3 ,(H,29,33)/t21-,26-,27+/m 0/s1; JJMPZKDTRWEIEO-NJTBCWBZSA-N |
O=C(CC)CCC(=O)NC(Cc1ccccc1)C(O)CN(S(=O)( =O)c2ccc(OC)cc2)CC(C)CC; CC[C@H](C)C[N@@ ](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC )O)S(=O)(=O)c2ccc(cc2)OC; CCC(C)CN(CC(C( Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2c cc(cc2)OC; CC[CH](C)CN(C[CH](O)[CH](Cc1c cccc1)NC(=O)CCC(=O)CC)[S](=O)(=O)c2ccc(O C)cc2; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1c cccc1)NC(=O)CCC(=O)CC)[S](=O)(=O)c2ccc(O C)cc2 |
N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(4-METHOXYPHENYL)SULFONYL][(2S)-2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE |
| 34045 | MZA CHEMBL1615104 ZINC000064746623 |
1 | C23 H21 Cl F N3 O3 S | InChI=1S/C23H21ClFN3O3S/c 24-17-4-1-15-12-18(5-2-14 (15)11-17)32(30,31)27-20- 8-10-28(23(20)29)21-6-3-1 6-13-26-9-7-19(16)22(21)2 5/h1-6,11-12,20,26-27H,7- 10,13H2/t20-/m0/s1; BJOZEZZETKKCMQ-FQEVSTJZSA-N |
Fc1c2CCNCc2ccc1N3CC[CH](N[S](=O)(=O)c4cc c5cc(Cl)ccc5c4)C3=O; c1cc(cc2c1cc(cc2)Cl )S(=O)(=O)NC3CCN(C3=O)c4ccc5c(c4F)CCNC5; c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN (C3=O)c4ccc5c(c4F)CCNC5; Fc1c2CCNCc2ccc1 N3CC[C@H](N[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 )C3=O |
6-CHLORO-N-[(3S)-1-(5-FLUORO-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)-2-OXO-PYRROLIDIN-3-YL]NAPHTHALENE-2-SULFONAMIDE |
| 34046 | MZB ZINC000031415784 |
1 | C6 H13 N O4 S | InChI=1S/C6H13NO4S/c1-12( 11)6-2(7)3(8)4(9)5(6)10/h 2-6,8-10H,7H2,1H3/t2-,3+, 4+,5+,6+,12+/m0/s1; ZJFKRRRXLLAUHQ-DMRLTRFVSA-N |
C[S@@](=O)[C@@H]1[C@@H](N)[C@@H](O)[C@@H ](O)[C@H]1O; O=S(C1C(O)C(O)C(O)C1N)C; CS (=O)C1C(C(C(C1O)O)O)N; C[S](=O)[CH]1[CH] (N)[CH](O)[CH](O)[CH]1O; C[S@@](=O)[C@@H ]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N |
(1R,2R,3R,4S,5R)-4-amino-5-[(R)-methylsulfinyl]cyclopentane-1,2,3-triol; MANNOSTATIN B |
| 34047 | MZC CHEMBL504585 ZINC000002567732 |
3 | C14 H17 N3 O3 | InChI=1S/C14H17N3O3/c1-9( 18)15-6-5-10-8-16-13-4-3- 11(7-12(10)13)17-14(19)20 -2/h3-4,7-8,16H,5-6H2,1-2 H3,(H,15,18)(H,17,19); MPZVHKLZCUEJFO-UHFFFAOYSA-N |
CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC; O=C (OC)Nc1cc2c(cc1)ncc2CCNC(=O)C; COC(=O)Nc 1ccc2[nH]cc(CCNC(C)=O)c2c1 |
methyl {3-[2-(acetylamino)ethyl]-1H-indol-5-yl}carbamate |
| 34048 | MZD | 1 | C31 H51 N2 O10 P S | InChI=1S/C31H51N2O10PS/c1 -27(2,17-42-44(39,40)41)2 4(36)25(37)33-10-7-22(35) 32-11-12-45-26(38)29(4)9- 6-8-28(3)20(29)14-21(34)3 1-15-18-13-19(23(28)31)43 -30(18,5)16-31/h18-21,23- 24,34,36H,6-17H2,1-5H3,(H ,32,35)(H,33,37)(H2,39,40 ,41)/t18-,19+,20+,21-,23+ ,24+,28-,29-,30+,31+/m1/s 1; WNJOABVUVJTUCG-HDNPFTGKSA-N |
CC12CCCC(C1CC(C34C2C5CC(C3)C(C4)(O5)C)O) (C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O )(O)O)O; CC(C)(CO[P](O)(O)=O)[C@@H](O)C( =O)NCCC(=O)NCCSC(=O)[C@]1(C)CCC[C@]2(C)[ C@@H]1C[C@@H](O)[C@]34C[C@H]5C[C@H](O[C@ @]5(C)C3)[C@@H]24; C[C@@]12CCC[C@@]([C@H ]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C @](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[ C@@H](C(C)(C)COP(=O)(O)O)O; C3C15C(C2(CC CC(C)(C2CC1O)C(=O)SCCNC(=O)CCNC(C(C(COP( O)(O)=O)(C)C)O)=O)C)C4OC3(C)C(C4)C5; CC( C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(=O)NCC SC(=O)[C]1(C)CCC[C]2(C)[CH]1C[CH](O)[C]3 4C[CH]5C[CH](O[C]5(C)C3)[CH]24 |
S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (5beta,7alpha,8alpha,10alpha,11alpha,13alpha)-7-hydroxy-11,16-epoxykaurane-18-thioate |
| 34049 | MZE CHEMBL5193920 |
1 | C33 H42 N8 O4 S | InChI=1S/C33H42N8O4S/c1-3 3(2,3)39-32(43)38-26-13-1 5-41(16-14-26)31(42)28(18 -21-7-4-10-24(17-21)29(34 )35)40-46(44,45)27-12-6-9 -23(20-27)22-8-5-11-25(19 -22)30(36)37/h4-12,17,19- 20,26,28,40H,13-16,18H2,1 -3H3,(H3,34,35)(H3,36,37) (H2,38,39,43)/t28-/m0/s1; JFMRSUSVFPNDAU-NDEPHWFRSA-N |
CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)C(Cc2cccc( c2)C(=N)N)NS(=O)(=O)c3cccc(c3)c4cccc(c4) C(=N)N; CC(C)(C)NC(=O)NC1CCN(CC1)C(=O)[C @H](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc (c3)c4cccc(c4)C(N)=N; CC(C)(C)NC(=O)NC1C CN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S]( =O)(=O)c3cccc(c3)c4cccc(c4)C(N)=N; [H]/N =C(\c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)NC( =O)NC(C)(C)C)NS(=O)(=O)c3cccc(c3)c4cccc( c4)/C(=N\[H])/N)/N |
1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(3-carbamimidoylphenyl)phenyl]sulfonylamino]propanoyl]piperidin-4-yl]urea |
| 34050 | MZF | 1 | C11 H8 Br N3 O3 | InChI=1S/C11H8BrN3O3/c12- 6-1-2-8-7(3-6)10(16)11(17 )15(8)4-9-13-5-18-14-9/h1 -3,5,10,16H,4H2/t10-/m1/s 1; LYOFEJVGYOXWIE-SNVBAGLBSA-N |
c1cc2c(cc1Br)[C@H](C(=O)N2Cc3ncon3)O; O[ CH]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13; O[C@H ]1C(=O)N(Cc2nocn2)c3ccc(Br)cc13; Brc1cc2 C(O)C(=O)N(Cc3ncon3)c2cc1; c1cc2c(cc1Br) C(C(=O)N2Cc3ncon3)O |
(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one |
| 34051 | MZG CHEMBL194121 ZINC000000404328 |
2 | C7 H7 Cl O | InChI=1S/C7H7ClO/c1-5-4-6 (8)2-3-7(5)9/h2-4,9H,1H3; RHPUJHQBPORFGV-UHFFFAOYSA-N |
Cc1cc(Cl)ccc1O; c1cc(cc(C)c1O)Cl; Cc1cc( ccc1O)Cl |
4-chloro-2-methylphenol |
| 34052 | MZH | 0 | C10 H12 N2 O5 | InChI=1S/C10H12N2O5/c13-7 -1-2-8(14)11(7)5-17-6-12- 9(15)3-4-10(12)16/h1-6H2; QIKFOEHAAPDKRH-UHFFFAOYSA-N |
O=C1N(C(=O)CC1)COCN2C(=O)CCC2=O; C1CC(=O )N(C1=O)COCN2C(=O)CCC2=O; O=C1CCC(=O)N1C OCN2C(=O)CCC2=O |
1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione |
| 34053 | MZI | 2 | C20 H22 Cl N5 O4 | InChI=1S/C20H22ClN5O4/c1- 14(27)30-13-19(28)22-16-4 -2-15(3-5-16)12-20(29)26- 10-8-25(9-11-26)18-7-6-17 (21)23-24-18/h2-7H,8-13H2 ,1H3,(H,22,28); MASGWEOQCQKQCO-UHFFFAOYSA-N |
CC(=O)OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3cc c(Cl)nn3)cc1; CC(=O)OCC(=O)Nc1ccc(cc1)CC (=O)N2CCN(CC2)c3ccc(nn3)Cl; O=C(Cc1ccc(N C(=O)COC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1 |
2-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}anilino)-2-oxoethyl acetate |
| 34054 | MZJ CHEMBL4072833 DB15170 ZINC000205623965 |
1 | C25 H27 N5 O2 | InChI=1S/C25H27N5O2/c1-2- 22(31)30-14-12-18(13-15-3 0)16-27-25-23(24(26)28-17 -29-25)19-8-10-21(11-9-19 )32-20-6-4-3-5-7-20/h2-11 ,17-18H,1,12-16H2,(H3,26, 27,28,29); QUIWHXQETADMGN-UHFFFAOYSA-N |
Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1c3ccc(Oc4 ccccc4)cc3; C=CC(=O)N1CCC(CC1)CNc2c(c(nc n2)N)c3ccc(cc3)Oc4ccccc4; n1c(c(c(nc1)N) c2ccc(cc2)Oc3ccccc3)NCC4CCN(C(=O)[C@H]=C )CC4 |
1-[4-({[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino}methyl)piperidin-1-yl]prop-2-en-1-one; Evobrutinib |
| 34055 | MZK CHEMBL1222153 ZINC000058582132 |
2 | C16 H12 F3 N O | InChI=1S/C16H12F3NO/c17-1 6(18,19)13-5-1-10(2-6-13) 11-3-7-14-12(9-11)4-8-15( 21)20-14/h1-3,5-7,9H,4,8H 2,(H,20,21); WNVWLPPJRMIRBG-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2; c1 cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F |
6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one |
| 34056 | MZL CHEMBL1234565 ZINC000058649974 |
1 | C22 H19 N5 O | InChI=1S/C22H19N5O/c1-2-1 9-13-21(16-5-3-11-23-14-1 6)26-27(19)20-9-7-18(8-10 -20)25-22(28)17-6-4-12-24 -15-17/h3-15H,2H2,1H3,(H, 25,28); CCAFHMPMIJBDRP-UHFFFAOYSA-N |
O=C(c1cccnc1)Nc2ccc(cc2)n3nc(cc3CC)c4ccc nc4; CCc1cc(nn1c2ccc(cc2)NC(=O)c3cccnc3) c4cccnc4; CCc1cc(nn1c2ccc(NC(=O)c3cccnc3 )cc2)c4cccnc4 |
N-[4-(5-ethyl-3-pyridin-3-yl-1H-pyrazol-1-yl)phenyl]pyridine-3-carboxamide |
| 34057 | MZM ZINC000012503151 |
17 | C5 H8 N4 O3 S2 | InChI=1S/C5H8N4O3S2/c1-3( 10)7-4-9(2)8-5(13-4)14(6, 11)12/h1-2H3,(H2,6,11,12) /b7-4-; FLOSMHQXBMRNHR-DAXSKMNVSA-N |
CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C; CC(= O)N=C1N(N=C(S1)S(=O)(=O)N)C; CN1N=C(SC1= NC(C)=O)[S](N)(=O)=O; NS(=O)(=O)C=1S/C(N (N=1)C)=N\C(=O)C |
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide; Methazolamide |
| 34058 | MZN | 1 | C21 H20 F N3 O3 | InChI=1S/C21H20FN3O3/c1-2 -19(27)25-7-6-12(11-25)16 -8-13-10-23-17(9-14(13)21 (28)24-16)20-15(22)4-3-5- 18(20)26/h3-5,9-10,12,26H ,2,6-8,11H2,1H3/t12-/m1/s 1; RWOYGQRZJZBHOJ-GFCCVEGCSA-N |
CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2 )c4c(O)cccc4F; CCC(=O)N1CCC(C1)C2=NC(=O) c3cc(ncc3C2)c4c(cccc4F)O; CCC(=O)N1CC[C@ H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O; CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ncc3C2 )c4c(O)cccc4F |
7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one |
| 34059 | MZO CHEMBL484385 ZINC000000031969 |
1 | C12 H11 N5 O | InChI=1S/C12H11N5O/c1-18- 9-4-2-3-8(5-9)17-12-10-11 (14-6-13-10)15-7-16-12/h2 -7H,1H3,(H2,13,14,15,16,1 7); AXPCHVXFDHPTBW-UHFFFAOYSA-N |
COc1cccc(c1)Nc2c3c([nH]cn3)ncn2; n2c1c(n cn1)c(nc2)Nc3cccc(OC)c3; COc1cccc(Nc2ncn c3[nH]cnc23)c1 |
N-(3-methoxyphenyl)-9H-purin-6-amine |
| 34060 | MZP DB01945 |
4 | C9 H12 N3 O9 P | InChI=1S/C9H14N3O9P/c10-7 (15)4-8(16)12(2-11-4)9-6( 14)5(13)3(21-9)1-20-22(17 ,18)19/h2-3,5-6,9,13-14,1 6H,1H2,(H2,10,15)(H2,17,1 8,19)/p-2/t3-,5-,6-,9-/m1 /s1; KTKAFSMJDTUUAN-UUOKFMHZSA-L |
c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O 2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N; NC( =O)c1[nH+]cn([CH]2O[CH](CO[P]([O-])([O-] )=O)[CH](O)[CH]2O)c1[O-]; NC(=O)c1[nH+]c n([C@@H]2O[C@H](CO[P]([O-])([O-])=O)[C@@ H](O)[C@H]2O)c1[O-]; c1[nH+]c(c(n1C2C(C( C(O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N; [O-]P([O-])(=O)OCC2OC(n1c[nH+]c(C(=O)N)c 1[O-])C(O)C2O |
4-CARBAMOYL-1-BETA-D-RIBOFURANOSYL-IMIDAZOLIUM-5-OLATE-5'-PHOSPHATE |
| 34061 | MZQ | 1 | C22 H20 F2 N2 O2 | InChI=1S/C22H20F2N2O2/c1- 2-21(27)26-8-7-15(12-26)2 0-10-14-4-3-13(9-18(14)22 (28)25-20)17-6-5-16(23)11 -19(17)24/h3-6,9,11,15H,2 ,7-8,10,12H2,1H3/t15-/m1/ s1; ZVHLLUCPMIPZMN-OAHLLOKOSA-N |
CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2 )c4ccc(F)cc4F; CCC(=O)N1CCC(C1)C2=NC(=O) c3cc(ccc3C2)c4ccc(cc4F)F; CCC(=O)N1CC[C@ H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F; CCC(=O)N1CC[CH](C1)C2=NC(=O)c3cc(ccc3C2 )c4ccc(F)cc4F |
7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one |
| 34062 | MZR CHEMBL245019 DB12617 ZINC000003812887 |
2 | C9 H13 N3 O6 | InChI=1S/C9H13N3O6/c10-7( 16)4-8(17)12(2-11-4)9-6(1 5)5(14)3(1-13)18-9/h2-3,5 -6,9,13-15,17H,1H2,(H2,10 ,16)/t3-,5-,6-,9-/m1/s1; HZQDCMWJEBCWBR-UUOKFMHZSA-N |
O=C(c1ncn(c1O)C2OC(C(O)C2O)CO)N; NC(=O)c 1ncn([CH]2O[CH](CO)[CH](O)[CH]2O)c1O; c1 nc(c(n1C2C(C(C(O2)CO)O)O)O)C(=O)N; NC(=O )c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O )c1O; c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H] (O2)CO)O)O)O)C(=O)N |
5-hydroxy-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide; Mizoribine |
| 34063 | MZS ZINC000004858137 |
1 | C12 H9 F N2 O4 | InChI=1S/C12H9FN2O4/c13-8 -3-1-7(2-4-8)6-15-10(12(1 8)19)5-9(14-15)11(16)17/h 1-5H,6H2,(H,16,17)(H,18,1 9); YYCGCLWGMQYTDZ-UHFFFAOYSA-N |
OC(=O)c1cc(n(Cc2ccc(F)cc2)n1)C(O)=O; c1c c(ccc1Cn2c(cc(n2)C(=O)O)C(=O)O)F; O=C(O) c1cc(nn1Cc2ccc(F)cc2)C(=O)O |
1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid |
| 34064 | MZT ZINC000098209198 |
1 | C8 H18 N O2 | InChI=1S/C8H17NO2/c1-7(9( 2,3)4)5-6-8(10)11/h7H,5-6 H2,1-4H3/p+1/t7-/m1/s1; RXHVPPWXTMHWGY-SSDOTTSWSA-O |
CC(CCC(=O)O)[N+](C)(C)C; C[CH](CCC(O)=O) [N+](C)(C)C; O=C(O)CCC([N+](C)(C)C)C; C[ C@H](CCC(=O)O)[N+](C)(C)C; C[C@H](CCC(O) =O)[N+](C)(C)C |
4-(Trimethylammonio)pentanoic acid |
| 34065 | MZU | 1 | C9 H14 N3 O9 P | InChI=1S/C9H14N3O9P/c10-3 -4(11-12-5(3)9(15)16)8-7( 14)6(13)2(21-8)1-20-22(17 ,18)19/h2,6-8,13-14H,1,10 H2,(H,11,12)(H,15,16)(H2, 17,18,19)/t2-,6-,7-,8+/m1 /s1; KFBPDQGSYVBBLS-UOQNBVRUSA-N |
C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)O)N)O)O)O P(=O)(O)O; Nc1c([nH]nc1[CH]2O[CH](CO[P]( O)(O)=O)[CH](O)[CH]2O)C(O)=O; Nc1c([nH]n c1[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[ C@H]2O)C(O)=O; C([C@@H]1[C@H]([C@H]([C@@ H](O1)c2c(c([nH]n2)C(=O)O)N)O)O)OP(=O)(O )O |
4-azanyl-3-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-1~{H}-pyrazole-5-carboxylic acid |
| 34066 | MZV | 4 | C20 H13 F3 N6 O | InChI=1S/C20H13F3N6O/c21- 20(22,23)15-9-13(17-6-1-2 -7-24-17)8-14(10-15)19(30 )25-16-5-3-4-12(11-16)18- 26-28-29-27-18/h1-11H,(H, 25,30)(H,26,27,28,29); AFOAIUFQFZTYOF-UHFFFAOYSA-N |
c3(cc(cc(C(Nc2cc(c1nnnn1)ccc2)=O)c3)C(F) (F)F)c4ncccc4; FC(F)(F)c1cc(cc(c1)c2cccc n2)C(=O)Nc3cccc(c3)c4[nH]nnn4; c1ccnc(c1 )c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[ nH]nnn4 |
3-(pyridin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzamide |
| 34067 | MZW CHEMBL568688 ZINC000017744087 |
1 | C4 H7 N3 S | InChI=1S/C4H7N3S/c1-2-3-6 -7-4(5)8-3/h2H2,1H3,(H2,5 ,7); QXTRPGAMVIONMK-UHFFFAOYSA-N |
CCc1nnc(s1)N; CCc1sc(N)nn1 | 5-ethyl-1,3,4-thiadiazol-2-amine |
| 34068 | MZX CHEMBL493174 ZINC000008817671 |
8 | C12 H13 N O3 | InChI=1S/C12H13NO3/c1-7-6 -10(14)13-12-9(16-3)5-4-8 (15-2)11(7)12/h4-6H,1-3H3 ,(H,13,14); BUHDAIGNGIXQJO-UHFFFAOYSA-N |
O=C2C=C(c1c(OC)ccc(OC)c1N2)C; COc1ccc(OC )c2C(=CC(=O)Nc12)C; CC1=CC(=O)Nc2c1c(ccc 2OC)OC |
5,8-dimethoxy-4-methylquinolin-2(1H)-one |
| 34069 | MZY CHEMBL3260774 ZINC000004529297 |
3 | C3 H4 N2 S | InChI=1S/C3H4N2S/c6-3-4-1 -2-5-3/h1-2H,(H2,4,5,6); OXFSTTJBVAAALW-UHFFFAOYSA-N |
C1=CNC(=S)N1; S=C1NC=CN1 | 1,3-dihydroimidazole-2-thione; 2-Mercaptoimidazole |
| 34070 | MZZ | 1 | C10 H9 N3 O | InChI=1S/C10H9N3O/c11-9-3 -1-8(2-4-9)10(14)13-6-5-1 2-7-13/h1-7H,11H2; HFAQMYBPGXYUBH-UHFFFAOYSA-N |
Nc1ccc(cc1)C(=O)n2ccnc2; O=C(c1ccc(N)cc1 )n2ccnc2; c1cc(ccc1C(=O)n2ccnc2)N |
(4-aminophenyl)-imidazol-1-yl-methanone |
| 34071 | N ZINC000005850787 |
18 | C5 H11 O7 P | InChI=1S/C5H11O7P/c6-3-1- 11-4(5(3)7)2-12-13(8,9)10 /h3-7H,1-2H2,(H2,8,9,10)/ t3-,4+,5-/m0/s1; CYZZKTRFOOKUMT-LMVFSUKVSA-N |
O=P(OCC1OCC(O)C1O)(O)O; O[CH]1CO[CH](CO[ P](O)(O)=O)[CH]1O; C1C(C(C(O1)COP(=O)(O) O)O)O; O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@H ]1O; C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O) O)O)O |
ANY 5'-MONOPHOSPHATE NUCLEOTIDE; 1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE |
| 34072 | N00 | 1 | C16 H14 Cl N O2 | InChI=1S/C16H14ClNO2/c1-8 -11(9(2)16(19)20)4-5-12-1 3-7-10(17)3-6-14(13)18-15 (8)12/h3-7,9,18H,1-2H3,(H ,19,20)/t9-/m1/s1; ISYVWNKBJIDJSU-SECBINFHSA-N |
O=C(O)C(C)c1ccc2c3cc(Cl)ccc3[NH]c2c1C; C [C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23) c1C; Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)C(C)C( =O)O; Cc1c(ccc2c1[nH]c3c2cc(cc3)Cl)[C@@H ](C)C(=O)O; C[CH](C(O)=O)c1ccc2c([nH]c3c cc(Cl)cc23)c1C |
(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid |
| 34073 | N01 | 3 | C22 H26 N6 O17 P3 | InChI=1S/C22H29N6O17P3/c1 -10(29)11-3-2-4-27(5-11)2 1-17(32)15(30)12(42-21)6- 40-47(36,37)45-48(38,39)4 1-7-13-16(31)18(44-46(33, 34)35)22(43-13)28-9-26-14 -19(23)24-8-25-20(14)28/h 2-5,8-9,12-13,15-18,21-22 ,30-32H,6-7H2,1H3,(H5-,23 ,24,25,33,34,35,36,37,38, 39)/p-3/t12-,13-,15-,16-, 17-,18-,21-,22-/m1/s1; CWZSJEPJRFQEBR-RBEMOOQDSA-K |
CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([ C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H ]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O P(=O)([O-])[O-])O)O)O; CC(=O)c1ccc[n+](c 1)[C@@H]2O[C@H](CO[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)ncnc45)[C@@H](O) [C@H]2O; CC(=O)c1ccc[n+](c1)[CH]2O[CH](C O[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; CC(=O)c1ccc[n+]( c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])O CC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)([O-])[ O-])O)O)O |
3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE |
| 34074 | N02 | 1 | C26 H46 N4 O10 S | InChI=1S/C26H46N4O10S/c1- 7-26(9-12-30(13-10-26)24( 35)40-25(4,5)6)39-23(34)2 9-18(14-16(2)3)21(32)28-1 9(22(33)41(36,37)38)15-17 -8-11-27-20(17)31/h16-19, 22,33H,7-15H2,1-6H3,(H,27 ,31)(H,28,32)(H,29,34)(H, 36,37,38)/t17-,18-,19-,22 -/m0/s1; XQPCHNVZRFSEQT-OZIGNCPNSA-N |
CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[CH]( CC(C)C)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[ S](O)(=O)=O; CCC1(CCN(CC1)C(=O)OC(C)(C)C )OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@ H]2CCNC2=O)[C@@H](O)S(=O)(=O)O; C(=O)(NC (C(=O)NC(C(O)S(=O)(=O)O)CC1CCNC1=O)CC(C) C)OC2(CCN(CC2)C(=O)OC(C)(C)C)CC; CCC1(CC N(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C) C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O) [S](O)(=O)=O; CCC1(CCN(CC1)C(=O)OC(C)(C) C)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)C(O )S(=O)(=O)O |
(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; bound form |
| 34075 | N03 | 1 | C20 H18 N4 O | InChI=1S/C20H18N4O/c1-11- 17(12(2)25)18(13-6-4-3-5- 7-13)19(22-11)20-23-15-9- 8-14(21)10-16(15)24-20/h3 -10,22H,21H2,1-2H3,(H,23, 24); AUSSNQJQQVILMB-UHFFFAOYSA-N |
CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1 c4ccccc4; Cc1c(c(c([nH]1)c2[nH]c3ccc(cc3 n2)N)c4ccccc4)C(=O)C |
1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone |
| 34076 | N04 CHEMBL1928352 ZINC000073197763 |
1 | C23 H20 N2 O8 S | InChI=1S/C23H20N2O8S/c26- 19(27)8-7-17(22(30)31)24- 20(28)15-5-1-4-14(9-15)12 -33-16-6-2-3-13(10-16)11- 18-21(29)25-23(32)34-18/h 1-6,9-11,17H,7-8,12H2,(H, 24,28)(H,26,27)(H,30,31)( H,25,29,32)/b18-11-/t17-/ m1/s1; LTRBYYDVMAAOIG-LVSMMTLPSA-N |
OC(=O)CC[C@@H](NC(=O)c1cccc(COc2cccc(c2) \C=C3/SC(=O)NC3=O)c1)C(O)=O; c1cc(cc(c1) C(=O)NC(CCC(=O)O)C(=O)O)COc2cccc(c2)C=C3 C(=O)NC(=O)S3; OC(=O)CC[CH](NC(=O)c1cccc (COc2cccc(c2)C=C3SC(=O)NC3=O)c1)C(O)=O; c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)C Oc2cccc(c2)\C=C/3\C(=O)NC(=O)S3 |
(2R)-2-[[3-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]carbonylamino]pentanedioic acid |
| 34077 | N05 | 5 | C25 H30 F N5 O3 | InChI=1S/C25H30FN5O3/c1-1 4(2)25(20(13-27)23(28)34- 24-22(25)15(3)29-30-24)17 -10-18(26)12-19(11-17)31- 8-6-16(7-9-31)4-5-21(32)3 3/h10-12,14,16H,4-9,28H2, 1-3H3,(H,29,30)(H,32,33)/ t25-/m0/s1; MARQRCANXIMJDC-VWLOTQADSA-N |
Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)F)N4CC C(CC4)CCC(=O)O)C(C)C)C#N)N; CC(C)[C]1(c2 cc(F)cc(c2)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4 n[nH]c(C)c14)C#N; Cc1c2c(n[nH]1)OC(=C([C @@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C )C)C#N)N; CC(C)[C@]1(c2cc(F)cc(c2)N3CCC( CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N |
3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid |
| 34078 | N06 CHEMBL5593897 |
1 | C18 H22 Cl N5 O | InChI=1S/C18H22ClN5O/c1-2 2(2)15-5-3-14(4-6-15)13-1 8(25)24-11-9-23(10-12-24) 17-8-7-16(19)20-21-17/h3- 8H,9-13H2,1-2H3; PUKLCDKNRBGLKK-UHFFFAOYSA-N |
O=C(Cc1ccc(cc1)N(C)C)N1CCN(CC1)c1ccc(Cl) nn1; CN(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl )nn3)cc1; CN(C)c1ccc(cc1)CC(=O)N2CCN(CC2 )c3ccc(nn3)Cl |
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one |
| 34079 | N07 ZINC000096132694 |
3 | C21 H21 N3 O2 | InChI=1S/C21H21N3O2/c1-15 -22-23-20(26-15)18-9-5-7- 16(13-18)17-8-6-10-19(14- 17)21(25)24-11-3-2-4-12-2 4/h5-10,13-14H,2-4,11-12H 2,1H3; IKHAJTCUSZHKAO-UHFFFAOYSA-N |
Cc1oc(nn1)c2cccc(c2)c3cccc(c3)C(=O)N4CCC CC4; Cc1nnc(o1)c2cccc(c2)c3cccc(c3)C(=O) N4CCCCC4 |
[3'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl](piperidin-1-yl)methanone |
| 34080 | N08 CHEMBL5408042 ZINC000000339915 |
6 | C13 H12 F N O2 | InChI=1S/C13H12FNO2/c14-1 1-5-3-10(4-6-11)7-8-15-13 (16)12-2-1-9-17-12/h1-6,9 H,7-8H2,(H,15,16); GSMVTQDRELNXRQ-UHFFFAOYSA-N |
Fc1ccc(CCNC(=O)c2occc2)cc1; c1cc(oc1)C(= O)NCCc2ccc(cc2)F |
~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide |
| 34081 | N09 CHEMBL3360632 ZINC000098209199 |
8 | C19 H14 Cl N3 O4 | InChI=1S/C19H14ClN3O4/c1- 26-16-8-11(6-7-14(16)20)2 2-17(24)10-23-18-12-4-2-3 -5-15(12)27-19(25)13(18)9 -21-23/h2-9H,10H2,1H3,(H, 22,24); DJHSRZJOSYWGCG-UHFFFAOYSA-N |
COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)cc c1Cl; COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C( =O)Oc4c3cccc4; Clc1ccc(cc1OC)NC(=O)Cn4nc c2c4c3c(OC2=O)cccc3 |
N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide |
| 34082 | N0A CHEMBL300672 ZINC000000113783 |
0 | C9 H10 F N O2 | InChI=1S/C9H10FNO2/c10-7- 3-1-2-6(4-7)5-8(11)9(12)1 3/h1-4,8H,5,11H2,(H,12,13 )/t8-/m0/s1; VWHRYODZTDMVSS-QMMMGPOBSA-N |
c1cc(cc(c1)F)CC(C(=O)O)N; c1cc(cc(c1)F)C [C@@H](C(=O)O)N; NC(Cc1cccc(c1)F)C(=O)O; N[CH](Cc1cccc(F)c1)C(O)=O; N[C@@H](Cc1c ccc(F)c1)C(O)=O |
3-fluoro-L-phenylalanine |
| 34083 | N0B | 1 | C25 H36 N7 O10 P | InChI=1S/C25H36N7O10P/c26 -16(3-1-2-6-28-25(36)39-9 -15-8-13-4-5-14(15)7-13)2 4(35)42-43(37,38)40-10-17 -19(33)20(34)23(41-17)32- 12-31-18-21(27)29-11-30-2 2(18)32/h4-5,11-17,19-20, 23,33-34H,1-3,6-10,26H2,( H,28,36)(H,37,38)(H2,27,2 9,30)/p-1/t13-,14+,15+,16 +,17-,19-,20+,23+/m0/s1; MYIVZOBPRNLOTH-PEZDGLODSA-M |
N[C@H](CCCCNC(=O)OC[C@H]1C[C@@H]2C[C@H]1 C=C2)C(=O)O[P](O)(=O)OC[C@@H]3O[C@H]([C@ H](O)[C@H]3O)n4cnc5c(N)ncnc45; N[CH](CCC CNC(=O)OC[CH]1C[CH]2C[CH]1C=C2)C(=O)O[P] (O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5 c(N)ncnc45; c1nc(c2c(n1)n(cn2)C3C(C(C(O3 )COP(=O)(O)OC(=O)C(CCCCNC(=O)OCC4CC5CC4C =C5)N)O)O)N; O=C(OCC2CC1C=CC2C1)NCCCCC(N )C(=O)OP([O-])(=O)OCC5OC(n4cnc3c(ncnc34) N)C(O)C5O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H ]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H] (CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N )O)O)N |
Adenylated Norbornene |
| 34084 | N0C | 1 | C22 H34 N8 O2 | InChI=1S/C22H32N8O2/c1-29 (2,3)15-20(31)27-23-13-18 -12-19(14-24-28-21(32)16- 30(4,5)6)26-22(25-18)17-1 0-8-7-9-11-17/h7-13H,14-1 6H2,1-6H3,(H-2,23,24,25,2 6,27,28,31,32)/p+2; HKNVHNBOLZPBQX-UHFFFAOYSA-P |
C[N+](C)(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2) /C=N/NC(=O)C[N+](C)(C)C; C[N+](C)(C)CC(= O)NNCc1cc(\C=N\NC(=O)C[N+](C)(C)C)nc(n1) c2ccccc2; C[N+](C)(C)CC(=O)NNCc1cc(C=NNC (=O)C[N+](C)(C)C)nc(n1)c2ccccc2; C[N+](C )(C)CC(=O)NNCc1cc(nc(n1)c2ccccc2)C=NNC(= O)C[N+](C)(C)C |
~{N}-[(~{E})-[2-phenyl-6-[[2-[2-(trimethyl-$l^{4}-azanyl)ethanoyl]hydrazinyl]methyl]pyrimidin-4-yl]methylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide |
| 34085 | N0D CHEMBL29878 ZINC000001672873 |
2 | C8 H10 O | InChI=1S/C8H10O/c1-6-3-4- 8(9)7(2)5-6/h3-5,9H,1-2H3; KUFFULVDNCHOFZ-UHFFFAOYSA-N |
Cc1ccc(O)c(C)c1; Cc1cc(C)ccc1O; Cc1ccc(c (c1)C)O |
2,4-dimethylphenol |
| 34086 | N0E CHEMBL1801544 ZINC000000362862 |
3 | C15 H15 N O2 | InChI=1S/C15H15NO2/c17-14 -9-7-13(8-10-14)16-15(18) 11-6-12-4-2-1-3-5-12/h1-5 ,7-10,17H,6,11H2,(H,16,18 ); OHWHQNCVWRVQFT-UHFFFAOYSA-N |
c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O; Oc1ccc(NC (=O)CCc2ccccc2)cc1 |
~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide |
| 34087 | N0F | 1 | C18 H23 N3 O2 S | InChI=1S/C18H23N3O2S/c1-1 3-2-6-19-11-16(13)20-18(2 3)10-17(14-5-9-24-12-14)2 1-7-3-15(22)4-8-21/h2,5-6 ,9,11-12,15,17,22H,3-4,7- 8,10H2,1H3,(H,20,23)/t17- /m1/s1; ASXLXOCGCKXODB-QGZVFWFLSA-N |
Cc1ccncc1NC(=O)C[C@H](c2ccsc2)N3CCC(CC3) O; Cc1ccncc1NC(=O)C[CH](N2CCC(O)CC2)c3cs cc3; Cc1ccncc1NC(=O)CC(N1CCC(O)CC1)c1ccs c1; Cc1ccncc1NC(=O)CC(c2ccsc2)N3CCC(CC3) O; Cc1ccncc1NC(=O)C[C@@H](N2CCC(O)CC2)c3 cscc3 |
(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide |
| 34088 | N0G | 1 | C26 H22 N2 O2 | InChI=1S/C26H22N2O2/c1-18 (19-9-3-2-4-10-19)28-26(3 0)22-13-7-8-14-24(22)27-1 7-23-21-12-6-5-11-20(21)1 5-16-25(23)29/h2-18,29H,1 H3,(H,28,30)/b27-17-/t18- /m0/s1; UXJFDYIHRJGPFS-PTXYPZRJSA-N |
C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23 )c4ccccc4; C[C@@H](c1ccccc1)NC(=O)c2cccc c2N=Cc3c4ccccc4ccc3O; CC(c1ccccc1)NC(=O) c2ccccc2N=Cc3c4ccccc4ccc3O; N(/c2c(C(=O) NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O ; C[C@H](NC(=O)c1ccccc1N=Cc2c(O)ccc3cccc c23)c4ccccc4 |
2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide; Sirtinol |
| 34089 | N0H ZINC000000406702 |
1 | C14 H13 N O3 | InChI=1S/C14H13NO3/c16-13 -9-5-4-8-12(13)15-14(17)1 0-18-11-6-2-1-3-7-11/h1-9 ,16H,10H2,(H,15,17); CDCGNSIPUSWYOD-UHFFFAOYSA-N |
Oc1ccccc1NC(=O)COc2ccccc2; c1ccc(cc1)OCC (=O)Nc2ccccc2O |
~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide |
| 34090 | N0I | 1 | C18 H22 Cl N5 O3 S | InChI=1S/C18H22ClN5O3S/c1 -22(28(2,26)27)15-5-3-14( 4-6-15)13-18(25)24-11-9-2 3(10-12-24)17-8-7-16(19)2 0-21-17/h3-8H,9-13H2,1-2H 3; VYZPOGQCRRFCMR-UHFFFAOYSA-N |
O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1) c1ccc(Cl)nn1; CN(c1ccc(cc1)CC(=O)N2CCN(C C2)c3ccc(nn3)Cl)S(=O)(=O)C; CN(c1ccc(CC( =O)N2CCN(CC2)c3ccc(Cl)nn3)cc1)[S](C)(=O) =O |
N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide |
| 34091 | N0J CHEMBL4560418 |
1 | C32 H39 Cl N2 O5 S | InChI=1S/C32H39ClN2O5S/c1 -2-25-7-3-4-8-29(36)26-12 -9-23(26)18-35-19-32(15-5 -6-21-16-24(33)11-13-27(2 1)32)20-40-30-14-10-22(17 -28(30)35)31(37)34-41(25, 38)39/h4,8,10-11,13-14,16 -17,23,25-26,29,36H,2-3,5 -7,9,12,15,18-20H2,1H3,(H ,34,37)/b8-4+/t23-,25+,26 +,29-,32-/m0/s1; ZZVVBMLGOHPTPZ-ZHYCUCQBSA-N |
CC[C@@H]1CC\C=C\[C@H](O)[C@@H]2CC[C@H]2C [N@@]3C[C@@]4(CCCc5cc(Cl)ccc45)COc6ccc(c c36)C(=O)N[S]1(=O)=O; CCC1CCC=CC(C2CCC2C N3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O )NS1(=O)=O)O; CC[CH]1CCC=C[CH](O)[CH]2CC [CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6ccc (cc36)C(=O)N[S]1(=O)=O; CCC6CCC=CC(O)C1C CC1CN4CC2(CCCc3c2ccc(c3)Cl)COc5c4cc(cc5) C(NS6(=O)=O)=O; CC[C@@H]1CC/C=C/[C@@H]([ C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc( c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O |
(4S,7aR,9aR,10S,11E,15R)-6'-chloro-15-ethyl-10-hydroxy-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione |
| 34092 | N0K | 14 | C24 H37 N3 O5 S | InChI=1S/C24H37N3O5S/c1-2 7(2)21-11-7-10-18-17(21)9 -8-12-23(18)33(31,32)26-1 4-6-4-3-5-13-25-20-15-22( 29)24(30)19(20)16-28/h7-1 2,19-20,22,24-26,28-30H,3 -6,13-16H2,1-2H3/t19-,20- ,22+,24-/m0/s1; YQJKLKLPVRSCCE-QRVLJTFESA-N |
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCN[C@H ]3C[C@H]([C@H]([C@H]3CO)O)O; CN(C)c1cccc 2c1cccc2[S](=O)(=O)NCCCCCCN[C@H]3C[C@@H] (O)[C@@H](O)[C@H]3CO; CN(C)c1cccc2c1cccc 2S(=O)(=O)NCCCCCCNC3CC(C(C3CO)O)O; CN(C) c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3C[ CH](O)[CH](O)[CH]3CO |
5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
| 34093 | N0L | 1 | C22 H31 Cl2 N3 O3 | InChI=1S/C22H31Cl2N3O3/c2 3-16-20(28)25-11-1-2-17-7 -12-27(13-8-17)21(29)22(9 -14-30-15-10-22)26-19-5-3 -18(24)4-6-19/h3-6,17,26H ,1-2,7-16H2,(H,25,28); YDOPFLYDYZIKJH-UHFFFAOYSA-N |
c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC (=O)CCl)Cl; ClCC(=O)NCCCC1CCN(CC1)C(=O)C 2(CCOCC2)Nc3ccc(Cl)cc3 |
2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide |
| 34094 | N0M CHEMBL4465718 |
1 | C31 H39 Cl N2 O5 S | InChI=1S/C31H39ClN2O5S/c1 -20-5-2-3-7-28(35)25-11-8 -23(25)17-34-18-31(14-4-6 -21-15-24(32)10-12-26(21) 31)19-39-29-13-9-22(16-27 (29)34)30(36)33-40(20,37) 38/h9-10,12-13,15-16,20,2 3,25,28,35H,2-8,11,14,17- 19H2,1H3,(H,33,36)/t20-,2 3+,25-,28+,31+/m1/s1; BNATWTSFOSDXBZ-CQYHMPFISA-N |
C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@] 3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C (=O)NS1(=O)=O)O; C[CH]1CCCC[CH](O)[CH]2C C[CH]2C[N]3C[C]4(CCCc5cc(Cl)ccc45)COc6cc c(cc36)C(=O)N[S]1(=O)=O; C2CCc1c(ccc(c1) Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCCCC(C6C (C5)CC6)O)C)(=O)=O)=O; CC1CCCCC(C2CCC2CN 3CC4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O) NS1(=O)=O)O; C[C@@H]1CCCC[C@H](O)[C@@H]2 CC[C@H]2C[N@@]3C[C@@]4(CCCc5cc(Cl)ccc45) COc6ccc(cc36)C(=O)N[S]1(=O)=O |
(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione |
| 34095 | N0N CHEMBL4069909 |
10 | C24 H37 N3 O6 S | InChI=1S/C24H37N3O6S/c1-2 7(2)19-11-7-10-17-16(19)9 -8-12-20(17)34(32,33)26-1 4-6-4-3-5-13-25-21-18(15- 28)22(29)24(31)23(21)30/h 7-12,18,21-26,28-31H,3-6, 13-15H2,1-2H3/t18-,21+,22 -,23-,24-/m0/s1; UQDXIILZCYJPNV-GXWFBMCDSA-N |
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCNC3C( C(C(C3O)O)O)CO; CN(C)c1cccc2c1cccc2[S](= O)(=O)NCCCCCCN[C@H]3[C@H](O)[C@@H](O)[C@ @H](O)[C@H]3CO; CN(C)c1cccc2c1cccc2S(=O) (=O)NCCCCCCN[C@@H]3[C@@H]([C@@H]([C@@H]( [C@H]3O)O)O)CO; CN(C)c1cccc2c1cccc2[S](= O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O) [CH]3CO |
5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide |
| 34096 | N0O | 1 | C17 H13 Cl N4 O2 | InChI=1S/C17H13ClN4O2/c18 -11-6-7-15-13(8-11)14(9-2 4-15)16(23)20-17-21-19-10 -22(17)12-4-2-1-3-5-12/h1 -8,10,14H,9H2,(H,20,21,23 )/t14-/m1/s1; MRZHVMLGHCTVMT-CQSZACIVSA-N |
c1ccc(cc1)n2cnnc2NC(=O)[C@@H]3COc4c3cc(c c4)Cl; Clc1cc2c(cc1)OCC2C(=O)Nc1nncn1c1c cccc1; Clc1ccc2OC[C@@H](C(=O)Nc3nncn3c4c cccc4)c2c1; c1ccc(cc1)n2cnnc2NC(=O)C3COc 4c3cc(cc4)Cl; Clc1ccc2OC[CH](C(=O)Nc3nnc n3c4ccccc4)c2c1 |
(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide |
| 34097 | N0P CHEMBL5193416 |
2 | C26 H31 Cl N2 O5 S | InChI=1S/C26H31ClN2O5S/c2 7-21-6-7-22-19(15-21)9-10 -26(22)17-29-11-3-1-2-4-1 2-33-13-14-35(31,32)28-25 (30)20-5-8-24(34-18-26)23 (29)16-20/h5-8,15-16H,1-4 ,9-14,17-18H2,(H,28,30)/t 26-/m0/s1; QBWGEQPNKKSGAL-SANMLTNESA-N |
Clc1ccc2c(CC[C]23COc4ccc5cc4[N](CCCCCCOC C[S](=O)(=O)NC5=O)C3)c1; c5c(Cl)cc4CCC2( COc1ccc3cc1N(C2)CCCCCCOCCS(=O)(NC3=O)=O) c4c5; c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCC N3CC4(CCc5c4ccc(c5)Cl)CO2; c1cc2c3cc1C(= O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc (c5)Cl)CO2; Clc1ccc2c(CC[C@]23COc4ccc5cc 4[N@](CCCCCCOCC[S](=O)(=O)NC5=O)C3)c1 |
(4S)-5'-chloro-2',3',7,8,9,10,11,12-octahydro-3H,5H,14H-spiro[1,19-etheno-16lambda~6~-[1,4]oxazepino[3,4-i][1,4,5,10]oxathiadiazacyclohexadecine-4,1'-indene]-16,16,18(15H,17H)-trione |
| 34098 | N0Q | 9 | C24 H37 N3 O5 S | InChI=1S/C24H37N3O5S/c1-2 7(2)21-12-7-10-18-17(21)9 -8-13-23(18)33(31,32)26-1 4-6-4-3-5-11-20-19(16-28) 24(30)22(29)15-25-20/h7-1 0,12-13,19-20,22,24-26,28 -30H,3-6,11,14-16H2,1-2H3 /t19-,20+,22+,24-/m0/s1; YUUSOYGEJQMOTK-IKJKNFHUSA-N |
CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH ]3NC[CH](O)[CH](O)[CH]3CO; CN(C)c1cccc2c 1cccc2[S](=O)(=O)NCCCCCC[C@H]3NC[C@@H](O )[C@@H](O)[C@H]3CO; CN(C)c1cccc2c1cccc2S (=O)(=O)NCCCCCC[C@@H]3[C@@H]([C@@H]([C@@ H](CN3)O)O)CO; CN(C)c1cccc2c1cccc2S(=O)( =O)NCCCCCCC3C(C(C(CN3)O)O)CO |
5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
| 34099 | N0R | 1 | C18 H20 Cl N5 O3 | InChI=1S/C18H20ClN5O3/c19 -15-5-6-16(22-21-15)23-7- 9-24(10-8-23)18(27)11-13- 1-3-14(4-2-13)20-17(26)12 -25/h1-6,25H,7-12H2,(H,20 ,26); WEDTXJVSLAQYOD-UHFFFAOYSA-N |
OCC(=O)Nc1ccc(CC(=O)N2CCN(CC2)c3ccc(Cl)n n3)cc1; c1cc(ccc1CC(=O)N2CCN(CC2)c3ccc(n n3)Cl)NC(=O)CO; O=C(Cc1ccc(NC(=O)CO)cc1) N1CCN(CC1)c1ccc(Cl)nn1 |
N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide |
| 34100 | N0S CHEMBL4468645 |
2 | C31 H37 Cl N2 O5 S | InChI=1S/C31H37ClN2O5S/c1 -20-5-2-3-7-28(35)25-11-8 -23(25)17-34-18-31(14-4-6 -21-15-24(32)10-12-26(21) 31)19-39-29-13-9-22(16-27 (29)34)30(36)33-40(20,37) 38/h3,7,9-10,12-13,15-16, 20,23,25,28,35H,2,4-6,8,1 1,14,17-19H2,1H3,(H,33,36 )/b7-3+/t20-,23+,25-,28+, 31+/m1/s1; BHVJUQVROJMZJB-MQTRKTCISA-N |
C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C (NS(C(CCC=CC(C6C(C5)CC6)O)C)(=O)=O)=O; C C1CCC=CC(C2CCC2CN3CC4(CCCc5c4ccc(c5)Cl)C Oc6c3cc(cc6)C(=O)NS1(=O)=O)O; C[C@@H]1CC \C=C\[C@H](O)[C@@H]2CC[C@H]2C[N@@]3C[C@@ ]4(CCCc5cc(Cl)ccc45)COc6ccc(cc36)C(=O)N[ S]1(=O)=O; C[C@@H]1CC/C=C/[C@@H]([C@@H]2 CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl) COc6c3cc(cc6)C(=O)NS1(=O)=O)O; C[CH]1CCC =C[CH](O)[CH]2CC[CH]2C[N]3C[C]4(CCCc5cc( Cl)ccc45)COc6ccc(cc36)C(=O)N[S]1(=O)=O |
(4S,7aR,9aR,10S,11E,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione |
| 34101 | N0T | 9 | C14 H29 N O4 | InChI=1S/C14H29NO4/c1-2-3 -4-5-6-7-8-15-11-10(9-16) 12(17)14(19)13(11)18/h10- 19H,2-9H2,1H3/t10-,11+,12 -,13-,14-/m0/s1; UZTOTQLQFAGSAI-NDKCEZKHSA-N |
CCCCCCCCNC1C(C(C(C1O)O)O)CO; CCCCCCCCN[C @@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO ; CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H] (O)[C@H]1CO; CCCCCCCCN[CH]1[CH](O)[CH](O )[CH](O)[CH]1CO |
(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
| 34102 | N0U CHEMBL5272595 |
0 | C27 H26 F2 N4 O | InChI=1S/C27H26F2N4O/c1-1 5-9-11-19(17-10-12-18-16( 2)31-32-22(18)14-17)20-6- 4-8-23(24(15)20)33(3)27(3 4)25-21(26(28)29)7-5-13-3 0-25/h5,7,9-14,23,26H,4,6 ,8H2,1-3H3,(H,31,32)/t23- /m1/s1; ZGVMLURVURNUQI-HSZRJFAPSA-N |
Cc1ccc(c2c1C(CCC2)N(C)C(=O)c3c(cccn3)C(F )F)c4ccc5c(n[nH]c5c4)C; Cc1ccc(c2c1[C@@H ](CCC2)N(C)C(=O)c3c(cccn3)C(F)F)c4ccc5c( n[nH]c5c4)C; CN([CH]1CCCc2c(ccc(C)c12)c3 ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F; CN ([C@@H]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH] c4c3)C(=O)c5ncccc5C(F)F |
3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide |
| 34103 | N0V CHEMBL3645227 ZINC000096174201 |
1 | C39 H40 N8 O3 | InChI=1S/C39H40N8O3/c1-50 -25-39(38(49)43-31-9-10-3 3-32(22-31)36(45-44-33)30 -11-17-40-34(21-30)28-5-6 -28)14-20-46(24-39)23-35( 48)47-18-12-27(13-19-47)2 6-3-7-29(8-4-26)37-41-15- 2-16-42-37/h2-4,7-12,15-1 7,21-22,28H,5-6,13-14,18- 20,23-25H2,1H3,(H,43,49)( H,44,45)/t39-/m1/s1; FSTCYTJKYVEAES-LDLOPFEMSA-N |
C1CC1c2cc(ccn2)c8c7c(ccc(NC(C3(CN(CC3)CC (N4CC=C(CC4)c5ccc(cc5)c6ncccn6)=O)COC)=O )c7)nn8; COCC1(CCN(C1)CC(=O)N2CCC(=CC2)c 3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[n H]6)c7ccnc(c7)C8CC8; COC[C@]1(CCN(C1)CC( =O)N2CCC(=CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc 5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C8CC8; COC[ C]1(CCN(CC(=O)N2CCC(=CC2)c3ccc(cc3)c4ncc cn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccnc(c7)C8CC 8)c6c5; COC[C@]1(CCN(CC(=O)N2CCC(=CC2)c3 ccc(cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c 7ccnc(c7)C8CC8)c6c5 |
(3R)-N-[3-(2-cyclopropylpyridin-4-yl)-1H-indazol-5-yl]-3-(methoxymethyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}ethyl)pyrrolidine-3-carboxamide |
| 34104 | N0W | 8 | C24 H37 N3 O5 S | InChI=1S/C24H37N3O5S/c1-2 7(2)21-12-7-10-18-17(21)9 -8-13-23(18)33(31,32)26-1 4-6-4-3-5-11-20-19(16-28) 24(30)22(29)15-25-20/h7-1 0,12-13,19-20,22,24-26,28 -30H,3-6,11,14-16H2,1-2H3 /t19-,20-,22+,24-/m0/s1; YUUSOYGEJQMOTK-QRVLJTFESA-N |
CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH ]3NC[CH](O)[CH](O)[CH]3CO; CN(C)c1cccc2c 1cccc2S(=O)(=O)NCCCCCC[C@H]3[C@@H]([C@@H ]([C@@H](CN3)O)O)CO; CN(C)c1cccc2c1cccc2 S(=O)(=O)NCCCCCCC3C(C(C(CN3)O)O)CO; CN(C )c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[C@@H]3 NC[C@@H](O)[C@@H](O)[C@H]3CO |
5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide |
| 34105 | N0X | 1 | C16 H18 N4 O2 | InChI=1S/C16H18N4O2/c1-16 (8-9-22-13-5-3-2-4-12(13) 16)14(21)18-15-19-17-10-2 0(15)11-6-7-11/h2-5,10-11 H,6-9H2,1H3,(H,18,19,21)/ t16-/m1/s1; UPRDTUXXNWJLMA-MRXNPFEDSA-N |
C[C@]1(CCOc2ccccc12)C(=O)Nc3nncn3C4CC4; O=C(Nc1nncn1C1CC1)C1(C)CCOc2ccccc21; C[C @]1(CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4; CC1 (CCOc2c1cccc2)C(=O)Nc3nncn3C4CC4; C[C]1( CCOc2ccccc12)C(=O)Nc3nncn3C4CC4 |
(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 34106 | N0Y CHEMBL1915868 ZINC000001640891 |
5 | C14 H14 O | InChI=1S/C14H14O/c1-15-14 -9-7-13(8-10-14)11-12-5-3 -2-4-6-12/h2-10H,11H2,1H3; GQLYCRTUQGSDSM-UHFFFAOYSA-N |
COc1ccc(cc1)Cc2ccccc2; COc1ccc(Cc2ccccc2 )cc1; c1c(cccc1)Cc2ccc(cc2)OC |
1-benzyl-4-methoxybenzene |
| 34107 | N0Z | 4 | C10 H9 N5 O | InChI=1S/C10H9N5O/c11-8-7 -5-3-4(16)1-2-6(5)13-9(7) 15-10(12)14-8/h1-3,16H,(H 5,11,12,13,14,15); QPHUIBRHCXZODB-UHFFFAOYSA-N |
Nc1nc(N)c2c([nH]c3ccc(O)cc23)n1; c1cc2c( cc1O)c3c(nc(nc3[nH]2)N)N |
2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol |
| 34108 | N10 ZINC000058650987 |
0 | C10 H20 N2 O4 | InChI=1S/C10H20N2O4/c1-2- 3-4-5-6-12-10(15)16-7-8(1 1)9(13)14/h8H,2-7,11H2,1H 3,(H,12,15)(H,13,14)/t8-/ m0/s1; XOZLSURLRCSCTN-QMMMGPOBSA-N |
CCCCCCNC(=O)OCC(C(=O)O)N; CCCCCCNC(=O)OC [C@@H](C(=O)O)N; CCCCCCNC(=O)OC[C@H](N)C (O)=O; O=C(O)C(N)COC(=O)NCCCCCC; CCCCCCN C(=O)OC[CH](N)C(O)=O |
O-[(HEXYLAMINO)CARBONYL]-L-SERINE |
| 34109 | N11 CHEMBL1234570 ZINC000033967549 |
4 | C12 H15 N3 O4 S | InChI=1S/C12H15N3O4S/c16- 7-3-1-2-4-8-20-10-6-5-9(1 5(17)18)11-12(10)14-19-13 -11/h5-6,16H,1-4,7-8H2; RGXYYAZGELLKDA-UHFFFAOYSA-N |
c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO; [ O-][N+](=O)c1ccc(SCCCCCCO)c2nonc12; OCCC CCCSc1ccc(c2nonc12)[N+]([O-])=O |
6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol; 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol |
| 34110 | N12 CHEMBL207788 ZINC000016051780 |
1 | C24 H36 N6 O4 | InChI=1S/C24H36N6O4/c25-2 1(26)18-9-8-17(13-27-18)1 4-29-23(34)24(10-4-5-11-2 4)30-22(33)19(28-15-20(31 )32)12-16-6-2-1-3-7-16/h8 -9,13,16,19,28H,1-7,10-12 ,14-15H2,(H3,25,26)(H,29, 34)(H,30,33)(H,31,32)/t19 -/m1/s1; OYDOPLZDDBTLCK-LJQANCHMSA-N |
NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[CH](C C3CCCCC3)NCC(O)=O)cn1; NC(=N)c1ccc(CNC(= O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(O) =O)cn1; O=C(O)CNC(C(=O)NC2(C(=O)NCc1cnc( C(=[N@H])N)cc1)CCCC2)CC3CCCCC3; [H]N=C(c 1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)C(CC3CCCC C3)NCC(=O)O)N; [H]/N=C(\c1ccc(cn1)CNC(=O )C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O) O)/N |
N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE |
| 34111 | N13 ZINC000098209201 |
2 | C25 H18 F N7 O | InChI=1S/C25H18FN7O/c26-1 5-4-3-5-16(11-15)27-23(34 )13-17-12-21(31-30-17)14- 8-9-18-22(10-14)32-33-24( 18)25-28-19-6-1-2-7-20(19 )29-25/h1-12H,13H2,(H,27, 34)(H,28,29)(H,30,31)(H,3 2,33); XLSVGNQXTNEETK-UHFFFAOYSA-N |
Fc1cccc(NC(=O)Cc2[nH]nc(c2)c3ccc4c([nH]n c4c5[nH]c6ccccc6n5)c3)c1; c1ccc2c(c1)[nH ]c(n2)c3c4ccc(cc4[nH]n3)c5cc([nH]n5)CC(= O)Nc6cccc(c6)F; Fc1cccc(c1)NC(=O)Cc2cc(n n2)c6cc5nnc(c4nc3ccccc3n4)c5cc6 |
2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide |
| 34112 | N14 CHEMBL4578267 |
1 | C23 H29 F N8 | InChI=1S/C23H29FN8/c1-16- 5-3-4-8-32-22(16)18(14-27 -32)21-19(24)15-26-23(29- 21)28-20-7-6-17(13-25-20) 31-11-9-30(2)10-12-31/h6- 7,13-16H,3-5,8-12H2,1-2H3 ,(H,25,26,28,29)/t16-/m0/ s1; UHCMUGYUWQCODZ-INIZCTEOSA-N |
CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N 5CCN(CC5)C)F; C[C@H]1CCCCn2c1c(cn2)c3c(c nc(n3)Nc4ccc(cn4)N5CCN(CC5)C)F; C[CH]1CC CCn2ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3 F)c12; C5CCn1c(c(cn1)c2c(cnc(n2)Nc3ccc(c n3)N4CCN(CC4)C)F)C(C5)C; C[C@H]1CCCCn2nc c(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c12 |
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
| 34113 | N15 ZINC000098209202 |
4 | C24 H25 N7 O | InChI=1S/C24H25N7O/c1-15( 2)9-10-25-22(32)14-31-13- 17(12-26-31)16-7-8-18-21( 11-16)29-30-23(18)24-27-1 9-5-3-4-6-20(19)28-24/h3- 8,11-13,15H,9-10,14H2,1-2 H3,(H,25,32)(H,27,28)(H,2 9,30); MBGGBSBQBVZBHN-UHFFFAOYSA-N |
CC(C)CCNC(=O)Cn1cc(cn1)c2ccc3c(c2)[nH]nc 3c4[nH]c5ccccc5n4; CC(C)CCNC(=O)Cn1cc(cn 1)c2ccc3c([nH]nc3c4[nH]c5ccccc5n4)c2; O= C(NCCC(C)C)Cn5ncc(c1ccc2c(c1)nnc2c4nc3cc ccc3n4)c5 |
2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide |
| 34114 | N16 CHEMBL1234571 ZINC000003873948 |
2 | C19 H18 N2 O2 | InChI=1S/C19H18N2O2/c1-13 (20-15-10-6-3-7-11-15)17- 18(22)16(21-19(17)23)12-1 4-8-4-2-5-9-14/h2-11,16,2 0H,12H2,1H3,(H,21,23)/b17 -13-/t16-/m0/s1; KWSXUGYAGMSUTN-MUBYSKIDSA-N |
CC(=C1C(=O)C(NC1=O)Cc2ccccc2)Nc3ccccc3; CC(Nc1ccccc1)=C2C(=O)N[CH](Cc3ccccc3)C2= O; C/C(=C/1\C(=O)[C@@H](NC1=O)Cc2ccccc2) /Nc3ccccc3; O=C2C(=C(\Nc1ccccc1)C)/C(=O) C(N2)Cc3ccccc3; C\C(Nc1ccccc1)=C/2C(=O)N [C@@H](Cc3ccccc3)C/2=O |
(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione |
| 34115 | N17 CHEMBL3931843 ZINC000584905784 |
1 | C22 H18 N4 O2 | InChI=1S/C22H18N4O2/c1-16 -14-26(15-24-16)19-4-2-3- 17(13-19)22(27)25-18-5-7- 20(8-6-18)28-21-9-11-23-1 2-10-21/h2-15H,1H3,(H,25, 27); TXKSFDQJSFSHRB-UHFFFAOYSA-N |
O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc( nc4)C; Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(c c3)Oc4ccncc4; Cc1cn(cn1)c2cccc(c2)C(=O)N c3ccc(Oc4ccncc4)cc3 |
3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide |
| 34116 | N18 | 2 | C9 H11 N3 O5 | InChI=1S/C9H11N3O5/c1-17- 7(14)2-3-10-8(15)5-4-6(13 )12-9(16)11-5/h4H,2-3H2,1 H3,(H,10,15)(H2,11,12,13, 16); OQKCUQQTEDLJJP-UHFFFAOYSA-N |
COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1; N(CCC( OC)=O)C(C=1NC(=O)NC(C=1)=O)=O |
methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate |
| 34117 | N19 CHEMBL4160707 |
2 | C18 H21 N3 O3 S | InChI=1S/C18H21N3O3S/c19- 25(23,24)17-8-6-15(7-9-17 )18(22)21-11-10-20-16(13- 21)12-14-4-2-1-3-5-14/h1- 9,16,20H,10-13H2,(H2,19,2 3,24)/t16-/m1/s1; PUFUKRGYJIGJDK-MRXNPFEDSA-N |
c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3 )S(=O)(=O)N; c1ccc(cc1)CC2CN(CCN2)C(=O)c 3ccc(cc3)S(=O)(=O)N; N[S](=O)(=O)c1ccc(c c1)C(=O)N2CCN[CH](C2)Cc3ccccc3; N[S](=O) (=O)c1ccc(cc1)C(=O)N2CCN[C@@H](C2)Cc3ccc cc3 |
4-[(3~{R})-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide |
| 34118 | N1A CHEMBL4440980 |
1 | C23 H29 F N8 | InChI=1S/C23H29FN8/c1-16- 5-3-4-8-32-22(16)18(14-27 -32)21-19(24)15-26-23(29- 21)28-20-7-6-17(13-25-20) 31-11-9-30(2)10-12-31/h6- 7,13-16H,3-5,8-12H2,1-2H3 ,(H,25,26,28,29)/t16-/m1/ s1; UHCMUGYUWQCODZ-MRXNPFEDSA-N |
CC1CCCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N 5CCN(CC5)C)F; C[C@@H]1CCCCn2ncc(c3nc(Nc4 ccc(cn4)N5CCN(C)CC5)ncc3F)c12; C[C@@H]1C CCCn2c1c(cn2)c3c(cnc(n3)Nc4ccc(cn4)N5CCN (CC5)C)F; C5Cn1c(c(cn1)c2c(F)cnc(n2)Nc3c cc(cn3)N4CCN(CC4)C)C(C)CC5; C[CH]1CCCCn2 ncc(c3nc(Nc4ccc(cn4)N5CCN(C)CC5)ncc3F)c1 2 |
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
| 34119 | N1B | 4 | C16 H14 B9 N O4 | InChI=1S/C16H14B9NO4/c1-8 -10(7-13(27)30-3)11-6-9(2 9-2)4-5-12(11)26(8)14(28) 16-15-17-19-18(16)22(16)2 0(15,16)21(15,17)23(17,19 )24(18,19,22)25(20,21,22) 23/h4-6H,7H2,1-3H3; FOWIJUKMQDHTEE-UHFFFAOYSA-N |
B123B45B167B289B31B823B966B744B622C45C32 1C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C; B1 23B45B167B289B31B823B966B744B622[C@@]45C 321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C; COC(=O)Cc1c(C)n(C(=O)[C+]234[B-]56[B+]78 [B-]9%10[C]2%11[B]9%12%13[B]7%10%14[B]58 %15[B]36%16[B]%12%14%15[B]4%11%13%16)c%1 7ccc(OC)cc1%17; COC(=O)Cc1c(C)n(C(=O)[C+ ]234[B-]56[B+]78[B-]9%10[C@@]2%11[B]9%12 %13[B]7%10%14[B]58%15[B]36%16[B]%12%14%1 5[B]4%11%13%16)c%17ccc(OC)cc1%17 |
(S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate |
| 34120 | N1C | 3 | C15 H20 N4 O14 P2 | InChI=1S/C15H20N4O14P2/c2 0-8-5-1-29-34(25,26)33-35 (27,28)30-2-6-9(21)11(23) 15(32-6)19-4-17-12-7(13(1 9)24)16-3-18(12)14(31-5)1 0(8)22/h3-6,8-11,14-15,20 -23H,1-2H2,(H,25,26)(H,27 ,28)/t5?,6-,8-,9-,10-,11- ,14-,15-/m1/s1; REBZYOYBILSKBL-ATYUDWGKSA-N |
O[CH]1[CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P] (O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5 C(=O)[N]2C=Nc45; c1nc2c3n1C4C(C(C(O4)COP (=O)(OP(=O)(OCC5C(C(C(O5)N(C2=O)C=N3)O)O )O)O)O)O; O=C2N3C=Nc1n(cnc12)C5OC(COP(=O )(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O; c1n c2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[ P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N (C2=O)C=N3)O)O)O)O)O)O; O[C@H]1[C@@H](O) [C@H]2O[C@@H]1CO[P](O)(=O)O[P](O)(=O)OC[ C@@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5C(=O )[N@]2C=Nc45 |
N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE |
| 34121 | N1D CHEMBL3769979 ZINC000231374705 |
2 | C22 H25 N3 O6 S2 | InChI=1S/C22H25N3O6S2/c1- 23-13-16(14-5-6-17(30-2)1 8(11-14)31-3)20-15(21(23) 26)12-19(32-20)22(27)24-7 -9-25(10-8-24)33(4,28)29/ h5-6,11-13H,7-10H2,1-4H3; BEIFGZXXCPXAAY-UHFFFAOYSA-N |
CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O )C)C1=O)c4ccc(c(c4)OC)OC; COc1ccc(cc1OC) C2=CN(C)C(=O)c3cc(sc23)C(=O)N4CCN(CC4)[S ](C)(=O)=O |
7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one |
| 34122 | N1E CHEMBL1596204 ZINC000000161652 |
2 | C11 H9 N O2 | InChI=1S/C11H9NO2/c1-14-1 1(13)9-4-5-10-8(7-9)3-2-6 -12-10/h2-7H,1H3; XSRWQTDEIOHXSL-UHFFFAOYSA-N |
COC(=O)c1ccc2c(c1)cccn2; COC(=O)c1ccc2nc ccc2c1 |
methyl quinoline-6-carboxylate |
| 34123 | N1F | 1 | C18 H20 Cl N5 O2 | InChI=1S/C18H20ClN5O2/c1- 13(25)20-15-4-2-14(3-5-15 )12-18(26)24-10-8-23(9-11 -24)17-7-6-16(19)21-22-17 /h2-7H,8-12H2,1H3,(H,20,2 5); LCPRHOCWQQSJED-UHFFFAOYSA-N |
O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(C l)nn1; CC(=O)Nc1ccc(cc1)CC(=O)N2CCN(CC2) c3ccc(nn3)Cl; CC(=O)Nc1ccc(CC(=O)N2CCN(C C2)c3ccc(Cl)nn3)cc1 |
N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide |
| 34124 | N1G CHEMBL5171499 |
2 | C17 H13 N7 O | InChI=1S/C17H13N7O/c25-16 (18-17-19-22-23-20-17)14- 11-15(12-7-3-1-4-8-12)24( 21-14)13-9-5-2-6-10-13/h1 -11H,(H2,18,19,20,22,23,2 5); QVLVNOAMAMUIJM-UHFFFAOYSA-N |
C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4) =O; c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[ nH]nnn4; O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccc cc3)c4ccccc4 |
1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide |
| 34125 | N1H CHEMBL377956 DB08232 ZINC000014953807 |
1 | C21 H16 N4 O5 | InChI=1S/C21H16N4O5/c22-1 9-5-4-16-18(24-19)10-17(2 3-16)15-7-11(8-20(26)27)6 -14(21(15)28)12-2-1-3-13( 9-12)25(29)30/h1-7,9-10,2 3,28H,8H2,(H2,22,24)(H,26 ,27); BVBGZXXLVHYBKI-UHFFFAOYSA-N |
[O-][N+](=O)c1cccc(c1)c4cc(cc(c3cc2nc(cc c2n3)N)c4O)CC(=O)O; Nc1ccc2[nH]c(cc2n1)c 3cc(CC(O)=O)cc(c3O)c4cccc(c4)[N+]([O-])= O; c1cc(cc(c1)[N+](=O)[O-])c2cc(cc(c2O)c 3cc4c([nH]3)ccc(n4)N)CC(=O)O |
{5-(5-AMINO-1H-PYRROLO[3,2-B]PYRIDIN-2-YL)-6-HYDROXY-3'-NITRO-BIPHENYL-3-YL]-ACETIC ACID |
| 34126 | N1I CHEMBL3247891 ZINC000169318035 |
1 | C10 H8 Cl2 N4 O2 | InChI=1S/C10H8Cl2N4O2/c11 -7-3-6(4-8(12)5-7)10-13-1 5-16(14-10)2-1-9(17)18/h3 -5H,1-2H2,(H,17,18); YMGWXPAFPWBSIZ-UHFFFAOYSA-N |
c1c(cc(cc1Cl)Cl)c2nnn(n2)CCC(=O)O; OC(=O )CCn1nc(nn1)c1cc(Cl)cc(Cl)c1; OC(=O)CCn1 nnc(n1)c2cc(Cl)cc(Cl)c2 |
3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid |
| 34127 | N1J CHEMBL4545456 |
1 | C25 H31 F N8 | InChI=1S/C25H31FN8/c1-3-3 2-13-25(14-32)15-33(16-25 )18-7-8-21(27-10-18)30-24 -28-12-20(26)22(31-24)19- 11-29-34-9-5-4-6-17(2)23( 19)34/h7-8,10-12,17H,3-6, 9,13-16H2,1-2H3,(H,27,28, 30,31)/t17-/m1/s1; KMRYRPPWJDYHAL-QGZVFWFLSA-N |
CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c 5cnn6c5C(CCCC6)C)F; C6C1(CN(C1)c5ccc(Nc4 ncc(F)c(c3c2n(CCCCC2C)nc3)n4)nc5)CN6CC; CCN1CC2(C1)CN(C2)c3ccc(nc3)Nc4ncc(c(n4)c 5cnn6c5[C@@H](CCCC6)C)F; CCN1CC2(C1)CN(C 2)c3ccc(Nc4ncc(F)c(n4)c5cnn6CCCC[CH](C)c 56)nc3; CCN1CC2(C1)CN(C2)c3ccc(Nc4ncc(F) c(n4)c5cnn6CCCC[C@@H](C)c56)nc3 |
N-[5-(6-ethyl-2,6-diazaspiro[3.3]heptan-2-yl)pyridin-2-yl]-5-fluoro-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine |
| 34128 | N1K | 2 | C15 H19 N7 O | InChI=1S/C15H19N7O/c1-3-4 -5-9-22-10-7-11-12(6-8-16 -13(11)22)14(23)17-15-18- 19-20-21(15)2/h6-8,10H,3- 5,9H2,1-2H3,(H,17,18,20,2 3); RKQQAUKWARWVAN-UHFFFAOYSA-N |
CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C; CCCC Cn1ccc2c1nccc2C(=O)Nc3nnnn3C |
N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide |
| 34129 | N1L ZINC000003652695 |
3 | C6 H11 N O6 | InChI=1S/C6H11NO6/c7-1-2( 8)3(9)4(5(10)11)13-6(1)12 /h1-4,6,8-9,12H,7H2,(H,10 ,11)/t1-,2-,3+,4+,6-/m1/s 1; CRIPFXSBMSGPKB-LVBGKUAWSA-N |
N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O; N[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@H]1 O)C(O)=O; O=C(O)C1OC(O)C(N)C(O)C1O; C1(C (C(C(OC1O)C(=O)O)O)O)N; [C@H]1([C@H]([C@ @H]([C@H](O[C@H]1O)C(=O)O)O)O)N |
2-amino-2-deoxy-beta-D-glucopyranuronic acid; 2-amino-2-deoxy-beta-D-glucuronic acid; 2-amino-2-deoxy-D-glucuronic acid; 2-amino-2-deoxy-glucuronic acid |
| 34130 | N1M ZINC000000173184 |
2 | C8 H8 I N O | InChI=1S/C8H8INO/c1-10-8( 11)6-4-2-3-5-7(6)9/h2-5H, 1H3,(H,10,11); XVZYFJIGUQHFSR-UHFFFAOYSA-N |
CNC(=O)c1ccccc1I | 2-iodo-N-methylbenzamide |
| 34131 | N1N CHEMBL4854181 |
3 | C21 H15 Cl2 N3 O4 S | InChI=1S/C21H15Cl2N3O4S/c 1-10-15(22)16(23)18(24-10 )19(27)26-21-25-17-13(30- 9-11-5-3-2-4-6-11)7-12(20 (28)29)8-14(17)31-21/h2-8 ,24H,9H2,1H3,(H,28,29)(H, 25,26,27); QJJVAUMJKWWKTD-UHFFFAOYSA-N |
Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(= O)O)OCc4ccccc4)Cl)Cl; Cc1[nH]c(C(=O)Nc2s c3cc(cc(OCc4ccccc4)c3n2)C(O)=O)c(Cl)c1Cl |
2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid |
| 34132 | N1P CHEMBL1449933 ZINC000001693429 |
1 | C3 H7 N O2 | InChI=1S/C3H7NO2/c1-2-3-4 (5)6/h2-3H2,1H3; JSZOAYXJRCEYSX-UHFFFAOYSA-N |
CCC[N+](=O)[O-]; CCC[N+]([O-])=O; [O-][N +](=O)CCC |
1-nitropropane |
| 34133 | N1Q CHEMBL3735506 ZINC000205464968 |
1 | C23 H26 F2 N4 O2 | InChI=1S/C23H26F2N4O2/c1- 31-12-11-29-9-7-15(8-10-2 9)14-26-23(30)22-18-13-16 (5-6-20(18)27-28-22)17-3- 2-4-19(24)21(17)25/h2-6,1 3,15H,7-12,14H2,1H3,(H,26 ,30)(H,27,28); QCLXNOBXQUWUEW-UHFFFAOYSA-N |
COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c 4cccc(c4F)F; COCCN1CCC(CC1)CNC(=O)c2n[nH ]c3ccc(cc23)c4cccc(F)c4F |
5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide |
| 34134 | N1R | 1 | C20 H28 Cl2 N2 O3 | InChI=1S/C20H28Cl2N2O3/c1 -20(2,27-17-7-5-16(22)6-8 -17)19(26)24-12-9-15(10-1 3-24)4-3-11-23-18(25)14-2 1/h5-8,15H,3-4,9-14H2,1-2 H3,(H,23,25); DKMHFOFPXSXLSB-UHFFFAOYSA-N |
CC(C)(C(=O)N1CCC(CC1)CCCNC(=O)CCl)Oc2ccc (cc2)Cl; CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC( CCCNC(=O)CCl)CC2 |
2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide |
| 34135 | N1S CHEMBL5185759 ZINC000013507234 |
0 | C15 H26 O | InChI=1S/C15H26O/c1-13(2) 7-5-8-14(3)9-6-10-15(4)11 -12-16/h7,9,11,16H,5-6,8, 10,12H2,1-4H3/b14-9+,15-1 1-; CRDAMVZIKSXKFV-PVMFERMNSA-N |
CC(C)=CCC\C(C)=C\CC\C(C)=C/CO; CC(=CCCC( =CCCC(=CCO)C)C)C; CC(=CCC/C(=C/CC/C(=C\C O)/C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCO; C\ C(=C\CC\C(=C\CC\C(=C/CO)C)C)C |
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol; cis,trans-Farnesol |
| 34136 | N1T DB01658 |
4 | C13 H19 N3 O7 P2 S | InChI=1S/C13H19N3O7P2S/c1 -9-3-4-11(13(14)15-9)7-16 -8-26-12(10(16)2)5-6-22-2 5(20,21)23-24(17,18)19/h3 -4,8H,5-7H2,1-2H3,(H4-,14 ,15,17,18,19,20,21); JHNXLHRDUXBCJW-UHFFFAOYSA-N |
Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)( O)O[P@@](=O)(O)[O-]; Cc1ccc(c(n1)N)C[n+] 2csc(c2C)CCOP(=O)(O)OP(=O)(O)[O-]; Cc1cc c(C[n+]2csc(CCO[P](O)(=O)O[P](O)([O-])=O )c2C)c(N)n1; Cc1ccc(C[n+]2csc(CCO[P@@](O )(=O)O[P](O)([O-])=O)c2C)c(N)n1 |
1'-DEAZO-THIAMIN DIPHOSPHATE |
| 34137 | N1U | 1 | C18 H18 Br N O4 | InChI=1S/C18H18BrNO4/c1-1 0-6-12(19)8-13-16(10)20(1 8(22)17(13)21)9-11-4-5-14 (23-2)15(7-11)24-3/h4-8,1 7,21H,9H2,1-3H3/t17-/m0/s 1; QMCANAKFKPPQKX-KRWDZBQOSA-N |
COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O ; Cc1cc(cc2c1N(C(=O)[C@H]2O)Cc3ccc(c(c3) OC)OC)Br; COc1ccc(CN2C(=O)[CH](O)c3cc(Br )cc(C)c23)cc1OC; COc1ccc(CN2C(=O)[C@@H]( O)c3cc(Br)cc(C)c23)cc1OC; Cc1cc(cc2c1N(C (=O)C2O)Cc3ccc(c(c3)OC)OC)Br |
(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one |
| 34138 | N1V CHEMBL4461328 |
1 | C28 H35 N O3 S | InChI=1S/C28H35NO3S/c1-3- 4-5-8-17-24-20-25-26(32-3 3(29,30)31)18-19-28(25,21 (2)22-13-9-6-10-14-22)27( 24)23-15-11-7-12-16-23/h6 -7,9-16,25-26H,2-5,8,17-2 0H2,1H3,(H2,29,30,31)/t25 -,26-,28-/m0/s1; TUITYPXKFZGOFR-NSVAZKTRSA-N |
c1c(cccc1)C=3C2(C(C(OS(N)(=O)=O)CC2)CC=3 CCCCCC)\C(=C)c4ccccc4; CCCCCCC1=C(c2cccc c2)[C@@]3(CC[C@H](O[S](N)(=O)=O)[C@@H]3C 1)C(=C)c4ccccc4; CCCCCCC1=C(C2(CCC(C2C1) OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4; CCCC CCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)( =O)N)C(=C)c3ccccc3)c4ccccc4; CCCCCCC1=C( c2ccccc2)[C]3(CC[CH](O[S](N)(=O)=O)[CH]3 C1)C(=C)c4ccccc4 |
(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate |
| 34139 | N1W | 1 | C30 H41 N7 O7 | InChI=1S/C30H41N7O7/c1-17 (2)24(26(40)33-20(16-38)1 4-18-6-4-3-5-7-18)36-27(4 1)25(22-12-13-32-29(31)34 -22)37-30(44)35-23(28(42) 43)15-19-8-10-21(39)11-9- 19/h3-11,17,20,22-25,38-3 9H,12-16H2,1-2H3,(H,33,40 )(H,36,41)(H,42,43)(H3,31 ,32,34)(H2,35,37,44)/t20- ,22-,23+,24-,25-/m0/s1; JRKYEAYRXQTOFS-JRBASJLZSA-N |
CC(C)C(C(=O)NC(Cc1ccccc1)CO)NC(=O)C(C2CC N=C(N2)N)NC(=O)NC(Cc3ccc(cc3)O)C(=O)O; C C(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC( =O)[C@H]([C@@H]2CCN=C(N2)N)NC(=O)N[C@H]( Cc3ccc(cc3)O)C(=O)O; CC(C)[C@H](NC(=O)[C @@H](NC(=O)N[C@H](Cc1ccc(O)cc1)C(O)=O)[C @@H]2CCN=C(N)N2)C(=O)N[C@H](CO)Cc3ccccc3 ; CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1cc c(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH ](CO)Cc3ccccc3 |
(2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid |
| 34140 | N1X | 2 | C10 H14 O2 | InChI=1S/C10H14O2/c1-8-5- 6-10(12-8)9-4-2-3-7-11-9/ h5-6,9H,2-4,7H2,1H3/t9-/m 0/s1; LFPRQMKTEKLYDA-VIFPVBQESA-N |
Cc1oc(cc1)C1CCCCO1; Cc1ccc(o1)[C@@H]2CCC CO2; Cc1oc(cc1)[C@@H]2CCCCO2; Cc1ccc(o1) C2CCCCO2; Cc1oc(cc1)[CH]2CCCCO2 |
(2S)-2-(5-methylfuran-2-yl)oxane |
| 34141 | N1Y CHEMBL1391421 ZINC000012733297 |
20 | C10 H11 Cl N4 O2 | InChI=1S/C10H11ClN4O2/c11 -9-2-1-8(5-13-9)6-14-4-3- 12-10(14)7-15(16)17/h1-2, 5,7,12H,3-4,6H2/b10-7+; ALNDHUQPXHHNON-JXMROGBWSA-N |
[O-][N+](=O)C=C1NCCN1Cc2ccc(Cl)nc2; [O-] [N+](=O)/C=C1\NCCN1Cc2cnc(Cl)cc2; [O-][N +](=O)\C=C\1NCCN\1Cc2ccc(Cl)nc2; c1cc(nc c1CN\2CCN/C2=C\[N+](=O)[O-])Cl; c1cc(ncc 1CN2CCNC2=C[N+](=O)[O-])Cl |
2-chloro-5-{[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl}pyridine |
| 34142 | N1Z CHEMBL2338360 |
1 | C13 H26 N2 O7 P2 | InChI=1S/C13H26N2O7P2/c1- 2-3-4-5-6-7-8-14-9-10-15( 12-14)11-13(16,23(17,18)1 9)24(20,21)22/h9-10,12,16 H,2-8,11H2,1H3,(H3-,17,18 ,19,20,21,22); AZKPHAACXOXPFR-UHFFFAOYSA-N |
CCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O )(O)[O-]; [O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1 cc[n+](c1)CCCCCCCC; CCCCCCCC[n+]1ccn(c1) C[C@@](O)(P(=O)(O)O)P(=O)(O)[O-]; CCCCCC CC[n+]1ccn(C[C](O)([P](O)(O)=O)[P](O)([O -])=O)c1; CCCCCCCC[n+]1ccn(C[C@@](O)([P] (O)(O)=O)[P](O)([O-])=O)c1 |
hydrogen [(1S)-1-hydroxy-2-(3-octyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate |
| 34143 | N20 CHEMBL340813 DB08233 ZINC000020149015 |
2 | C18 H21 N5 O2 | InChI=1S/C18H21N5O2/c24-1 4-8-6-13(7-9-14)21-18-22- 16-15(19-11-20-16)17(23-1 8)25-10-12-4-2-1-3-5-12/h 6-9,11-12,24H,1-5,10H2,(H 2,19,20,21,22,23); RFSDQDHHBKYQOD-UHFFFAOYSA-N |
Oc1ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)cc1 ; n2c1c(ncn1)c(nc2Nc3ccc(O)cc3)OCC4CCCCC 4; c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[n H]3)O |
6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE |
| 34144 | N21 CHEMBL1928360 ZINC000073220732 |
1 | C22 H20 N2 O9 S2 | InChI=1S/C22H20N2O9S2/c25 -19(26)10-9-17(21(28)29)2 4-35(31,32)16-7-3-14(4-8- 16)12-33-15-5-1-13(2-6-15 )11-18-20(27)23-22(30)34- 18/h1-8,11,17,24H,9-10,12 H2,(H,25,26)(H,28,29)(H,2 3,27,30)/b18-11-/t17-/m1/ s1; BZCXCLVFYJNKLW-LVSMMTLPSA-N |
OC(=O)CC[CH](N[S](=O)(=O)c1ccc(COc2ccc(c c2)C=C3SC(=O)NC3=O)cc1)C(O)=O; OC(=O)CC[ C@@H](N[S](=O)(=O)c1ccc(COc2ccc(cc2)\C=C 3/SC(=O)NC3=O)cc1)C(O)=O; c1cc(ccc1COc2c cc(cc2)C=C3C(=O)NC(=O)S3)S(=O)(=O)NC(CCC (=O)O)C(=O)O; c1cc(ccc1COc2ccc(cc2)\C=C/ 3\C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O )C(=O)O |
(2R)-2-[[4-[[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]phenyl]sulfonylamino]pentanedioic acid |
| 34145 | N22 CHEMBL485961 DB08234 |
10 | C17 H20 N4 O2 | InChI=1S/C17H20N4O2/c1-4- 14-13(16(18)21-17(19)20-1 4)7-5-6-11-10-12(22-2)8-9 -15(11)23-3/h8-10H,4,6H2, 1-3H3,(H4,18,19,20,21); NNFDQABYXZBKRK-UHFFFAOYSA-N |
CCc1nc(N)nc(N)c1C#CCc2cc(OC)ccc2OC; n2c( c(C#CCc1cc(OC)ccc1OC)c(nc2N)N)CC; CCc1c( c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC |
5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine |
| 34146 | N23 CHEMBL1234574 DB08235 ZINC000000140471 |
2 | C16 H16 N2 O S | InChI=1S/C16H16N2OS/c1-11 -12(13-5-2-3-6-14(13)18-1 1)8-9-17-16(19)15-7-4-10- 20-15/h2-7,10,18H,8-9H2,1 H3,(H,17,19); ACAKNPKRLPMONU-UHFFFAOYSA-N |
Cc1c(c2ccccc2[nH]1)CCNC(=O)c3cccs3; O=C( NCCc2c1ccccc1nc2C)c3sccc3; Cc1[nH]c2cccc c2c1CCNC(=O)c3sccc3 |
N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-2-carboxamide |
| 34147 | N24 DB08236 ZINC000002949834 |
1 | C15 H11 Br Cl N O2 S | InChI=1S/C15H11BrClNO2S/c 16-10-3-1-2-9(6-10)15-18( 14(20)8-21-15)12-7-11(17) 4-5-13(12)19/h1-7,15,19H, 8H2/t15-/m0/s1; KEGQNJITMFBVAC-HNNXBMFYSA-N |
Oc1ccc(Cl)cc1N2[CH](SCC2=O)c3cccc(Br)c3; Oc1ccc(Cl)cc1N2[C@@H](SCC2=O)c3cccc(Br) c3; c1cc(cc(c1)Br)[C@H]2N(C(=O)CS2)c3cc( ccc3O)Cl; c1cc(cc(c1)Br)C2N(C(=O)CS2)c3c c(ccc3O)Cl; Clc3cc(N2C(=O)CSC2c1cc(Br)cc c1)c(O)cc3 |
(2S)-2-(3-bromophenyl)-3-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidin-4-one |
| 34148 | N25 CHEMBL115727 ZINC000003873570 |
1 | C21 H27 N3 O8 S2 | InChI=1S/C21H27N3O8S2/c1- 21(2)13-23(33(27,28)17-9- 5-15(31-3)6-10-17)20(19(2 5)22-26)24(14-21)34(29,30 )18-11-7-16(32-4)8-12-18/ h5-12,20,26H,13-14H2,1-4H 3,(H,22,25); MCSWSPNUKWMZHM-UHFFFAOYSA-N |
O=S(=O)(c1ccc(OC)cc1)N2C(N(CC(C)(C2)C)S( =O)(=O)c3ccc(OC)cc3)C(=O)NO; CC1(CN(C(N( C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(= O)c3ccc(cc3)OC)C; COc1ccc(cc1)[S](=O)(=O )N2CC(C)(C)CN(C2C(=O)NO)[S](=O)(=O)c3ccc (OC)cc3; CC1(C[N@](C([N@](C1)S(=O)(=O)c2 ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC )C |
1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE |
| 34149 | N26 CHEMBL4302816 |
4 | C10 H10 O8 P2 | InChI=1S/C10H10O8P2/c11-1 9(12,13)17-9-3-1-7-5-10(1 8-20(14,15)16)4-2-8(7)6-9 /h1-6H,(H2,11,12,13)(H2,1 4,15,16); WNOOOUFEMHHAIT-UHFFFAOYSA-N |
O[P](O)(=O)Oc1ccc2cc(O[P](O)(O)=O)ccc2c1 ; O(P(O)(O)=O)c2cc1ccc(cc1cc2)OP(O)(=O)O ; c1cc(cc2c1cc(cc2)OP(=O)(O)O)OP(=O)(O)O |
naphthalene-2,6-diyl bis[dihydrogen (phosphate)] |
| 34150 | N27 CHEMBL4559668 |
1 | C30 H37 N O | InChI=1S/C30H37NO/c1-4-5- 6-9-18-26-21-27-28(31-23( 3)32)19-20-30(27,22(2)24- 14-10-7-11-15-24)29(26)25 -16-12-8-13-17-25/h7-8,10 -17,27-28H,2,4-6,9,18-21H 2,1,3H3,(H,31,32)/t27-,28 -,30-/m0/s1; JPBGUPBXHQIWOB-XEVVZDEMSA-N |
CCCCCCC1=C(C2(CCC(C2C1)NC(=O)C)C(=C)c3cc ccc3)c4ccccc4; CCCCCCC1=C(c2ccccc2)[C]3( CC[CH](NC(C)=O)[CH]3C1)C(=C)c4ccccc4; C= C(\C21C(C(NC(C)=O)CC1)CC(CCCCCC)=C2c3ccc cc3)c4ccccc4; CCCCCCC1=C([C@@]2(CC[C@@H] ([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc 4; CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](NC (C)=O)[C@@H]3C1)C(=C)c4ccccc4 |
N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]acetamide |
| 34151 | N28 CHEMBL4777296 |
2 | C20 H26 N4 O4 | InChI=1S/C20H26N4O4/c21-1 3-15-5-9-18(10-6-15)22-20 (27)24(11-1-2-12-25)14-16 -3-7-17(8-4-16)19(26)23-2 8/h3-10,25,28H,1-2,11-14, 21H2,(H,22,27)(H,23,26); VTRGFHYHEAEHGS-UHFFFAOYSA-N |
NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO )cc1; c1cc(ccc1CN)NC(=O)N(CCCCO)Cc2ccc(c c2)C(=O)NO |
4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
| 34152 | N29 ZINC000005428039 |
3 | C7 H10 N2 O2 | InChI=1S/C7H10N2O2/c1-3-7 (10)8-6-4-5(2)11-9-6/h4H, 3H2,1-2H3,(H,8,9,10); VRJWVNPGPFJWQQ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(on1)C; CCC(=O)Nc1cc(C)on1 | ~{N}-(5-methyl-1,2-oxazol-3-yl)propanamide |
| 34153 | N2A CHEMBL1171504 ZINC000058548709 |
2 | C34 H33 Cl2 F N6 O3 | InChI=1S/C34H33Cl2FN6O3/c 1-40-30-10-6-25(35)18-31( 30)43(34(40)46)27-11-15-4 1(16-12-27)13-2-14-42-21- 38-20-28(33(42)45)23-5-9- 29(36)24(17-23)19-39-32(4 4)22-3-7-26(37)8-4-22/h3- 10,17-18,20-21,27H,2,11-1 6,19H2,1H3,(H,39,44); UUSUCXDJVSXCBL-UHFFFAOYSA-N |
Fc1ccc(cc1)C(=O)NCc2c(Cl)ccc(c2)C3=CN=CN (C3=O)CCCN6CCC(N5c4cc(Cl)ccc4N(C5=O)C)CC 6; CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=N C=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)C l)Cl; CN1C(=O)N(C2CCN(CCCN3C=NC=C(C3=O)c 4ccc(Cl)c(CNC(=O)c5ccc(F)cc5)c4)CC2)c6cc (Cl)ccc16 |
N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyrimidin-5-yl)benzyl]-4-fluorobenzamide |
| 34154 | N2B CHEMBL371561 |
0 | C8 H10 | InChI=1S/C8H10/c1-2-8-6-4 -3-5-7-8/h3-7H,2H2,1H3; YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
c1(ccccc1)CC; CCc1ccccc1 | ETHYLBENZENE |
| 34155 | N2C | 0 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-6-4 (3-9-2)5(7)8/h4,6H,3H2,1- 2H3,(H,7,8)/t4-/m0/s1; WQSNCKZPJSHACB-BYPYZUCNSA-N |
CNC(CSC)C(=O)O; CN[C@@H](CSC)C(O)=O; CN[ CH](CSC)C(O)=O; CN[C@@H](CSC)C(=O)O; O=C (O)C(NC)CSC |
N,S-DIMETHYLCYSTEINE |
| 34156 | N2D CHEMBL1171314 ZINC000058547796 |
2 | C34 H34 Cl2 N6 O3 | InChI=1S/C34H34Cl2N6O3/c1 -39-30-12-9-26(35)21-31(3 0)42(34(39)45)27-14-18-40 (19-15-27)16-5-17-41-32(4 3)13-11-29(38-41)24-8-10- 28(36)25(20-24)22-37-33(4 4)23-6-3-2-4-7-23/h2-4,6- 13,20-21,27H,5,14-19,22H2 ,1H3,(H,37,44); ZJXORVFCSQEKCZ-UHFFFAOYSA-N |
CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C =CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl ; CN1C(=O)N(C2CCN(CCCN3N=C(C=CC3=O)c4ccc (Cl)c(CNC(=O)c5ccccc5)c4)CC2)c6cc(Cl)ccc 16; Clc1ccc2c(c1)N(C(=O)N2C)C6CCN(CCCN3N =C(C=CC3=O)c4ccc(Cl)c(c4)CNC(=O)c5ccccc5 )CC6 |
N-[2-chloro-5-(1-{3-[4-(6-chloro-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propyl}-6-oxo-1,6-dihydropyridazin-3-yl)benzyl]benzamide |
| 34157 | N2E CHEMBL4748352 |
7 | C23 H18 F N7 O2 | InChI=1S/C23H18FN7O2/c1-1 2-5-4-8-25-19(12)15-10-26 -23-29-21(30-31(23)11-15) 17-9-16(6-7-18(17)24)28-2 2(32)20-13(2)27-14(3)33-2 0/h4-11H,1-3H3,(H,28,32); GNVVPYCWVLCWKV-UHFFFAOYSA-N |
Cc1cccnc1c2cnc3nc(nn3c2)c4cc(ccc4F)NC(=O )c5c(nc(o5)C)C; Cc1oc(c(C)n1)C(=O)Nc2ccc (F)c(c2)c3nn4cc(cnc4n3)c5ncccc5C |
~{N}-[4-fluoranyl-3-[6-(3-methylpyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide |
| 34158 | N2F CHEMBL1698008 ZINC000001860216 |
1 | C11 H9 N O5 S | InChI=1S/C11H9NO5S/c1-8-2 -4-9(5-3-8)18(15,16)11-7- 6-10(17-11)12(13)14/h2-7H ,1H3; GAUHIPWCDXOLCZ-UHFFFAOYSA-N |
Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O- ]; O=[N+]([O-])c1oc(cc1)S(=O)(=O)c2ccc(c c2)C; Cc1ccc(cc1)[S](=O)(=O)c2oc(cc2)[N+ ]([O-])=O |
2-[(4-methylphenyl)sulfonyl]-5-nitrofuran; NSC697923 |
| 34159 | N2G DB08237 ZINC000053683033 |
0 | C21 H22 N5 O7 P | InChI=1S/C21H22N5O7P/c27- 15-8-17(33-16(15)10-32-34 (29,30)31)26-11-23-18-19( 26)24-21(25-20(18)28)22-9 -13-6-3-5-12-4-1-2-7-14(1 2)13/h1-7,11,15-17,27H,8- 10H2,(H2,29,30,31)(H2,22, 24,25,28)/t15-,16+,17+/m0 /s1; COMPKRGNHXOXMN-GVDBMIGSSA-N |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c nc3C(=O)NC(=Nc23)NCc4cccc5ccccc45; c1ccc 2c(c1)cccc2CNC3=Nc4c(ncn4[C@H]5C[C@@H]([ C@H](O5)COP(=O)(O)O)O)C(=O)N3; c1ccc2c(c 1)cccc2CNC3=Nc4c(ncn4C5CC(C(O5)COP(=O)(O )O)O)C(=O)N3; O=C3c4ncn(c4N=C(NCc2c1cccc c1ccc2)N3)C5OC(C(O)C5)COP(=O)(O)O; O[CH] 1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC (=Nc23)NCc4cccc5ccccc45 |
2'-deoxy-N-(naphthalen-1-ylmethyl)guanosine 5'-(dihydrogen phosphate) |
| 34160 | N2H ZINC000584905780 |
12 | C5 H14 N2 O2 | InChI=1S/C5H14N2O2/c6-3-1 -2-4-7-5(8)9/h5,7-9H,1-4, 6H2; JXQFUOSMIWOVKO-UHFFFAOYSA-N |
NCCCCNC(O)O; C(CCNC(O)O)CN | (4-azanylbutylamino)methanediol; N-(dihydroxymethyl)putrescine |
| 34161 | N2I ZINC000095920624 |
2 | C11 H9 N | InChI=1S/C11H9N/c1-12-11- 7-6-9-4-2-3-5-10(9)8-11/h 2-8H,1H2; FGRABSHVUNBHIE-UHFFFAOYSA-N |
C=Nc1ccc2ccccc2c1; N(=C)\c2ccc1c(cccc1)c 2 |
N-(naphthalen-2-yl)methanimine |
| 34162 | N2J CHEMBL4440757 |
1 | C28 H36 N2 O2 S | InChI=1S/C28H36N2O2S/c1-3 -4-5-8-17-24-20-25-26(30- 33(29,31)32)18-19-28(25,2 1(2)22-13-9-6-10-14-22)27 (24)23-15-11-7-12-16-23/h 6-7,9-16,25-26,30H,2-5,8, 17-20H2,1H3,(H2,29,31,32) /t25-,26-,28-/m0/s1; COQCBADNBTZWQG-NSVAZKTRSA-N |
CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](N[S]( N)(=O)=O)[C@@H]3C1)C(=C)c4ccccc4; CCCCCC C1=C(C2(CCC(C2C1)NS(=O)(=O)N)C(=C)c3cccc c3)c4ccccc4; C3C1C(NS(N)(=O)=O)CCC1(\C(= C)c2ccccc2)C(=C3CCCCCC)c4ccccc4; CCCCCCC 1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O) N)C(=C)c3ccccc3)c4ccccc4; CCCCCCC1=C(c2c cccc2)[C]3(CC[CH](N[S](N)(=O)=O)[CH]3C1) C(=C)c4ccccc4 |
N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide |
| 34163 | N2K CHEMBL3087809 ZINC000103273841 |
2 | C14 H21 F3 N2 O2 S | InChI=1S/C14H21F3N2O2S/c1 -3-19(4-2)10-9-18-22(20,2 1)11-12-5-7-13(8-6-12)14( 15,16)17/h5-8,18H,3-4,9-1 1H2,1-2H3; UJMFKSSVUDLNIV-UHFFFAOYSA-N |
CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F; CCN(CC)CCN[S](=O)(=O)Cc1ccc(cc1)C(F)(F)F |
~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide |
| 34164 | N2L CHEMBL5555281 |
1 | C47 H53 N7 O7 S | InChI=1S/C47H53N7O7S/c55- 46(51-62(58,59)37-10-12-4 1(43(26-37)54(56)57)49-29 -31-14-22-60-23-15-31)40- 11-9-34(25-44(40)61-36-24 -33-13-18-48-45(33)50-30- 36)52-20-16-47(17-21-52)2 7-35(28-47)53-19-3-6-42(5 3)39-5-2-1-4-38(39)32-7-8 -32/h1-2,4-5,9-13,18,24-2 6,30-32,35,42,49H,3,6-8,1 4-17,19-23,27-29H2,(H,48, 50)(H,51,55)/t42-/m0/s1; IVXFXSGHRVGVIZ-WBCKFURZSA-N |
c1ccc(c(c1)C2CC2)C3CCCN3C4CC5(C4)CCN(CC5 )c6ccc(c(c6)Oc7cc8cc[nH]c8nc7)C(=O)NS(=O )(=O)c9ccc(c(c9)[N+](=O)[O-])NCC1CCOCC1; [O-][N+](=O)c1cc(ccc1NCC2CCOCC2)[S](=O) (=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]ccc5c4)N6C CC7(CC6)CC(C7)N8CCC[C@H]8c9ccccc9C%10CC% 10; c1ccc(c(c1)[C@@H]2CCCN2C3CC4(C3)CCN( CC4)c5ccc(c(c5)Oc6cc7cc[nH]c7nc6)C(=O)NS (=O)(=O)c8ccc(c(c8)[N+](=O)[O-])NCC9CCOC C9)C1CC1; [O-][N+](=O)c1cc(ccc1NCC2CCOCC 2)[S](=O)(=O)NC(=O)c3ccc(cc3Oc4cnc5[nH]c cc5c4)N6CCC7(CC6)CC(C7)N8CCC[CH]8c9ccccc 9C%10CC%10 |
4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide |
| 34165 | N2M CHEMBL1234578 DB08238 ZINC000001680645 |
2 | C10 H9 N O3 S | InChI=1S/C10H9NO3S/c11-10 -3-1-2-7-6-8(15(12,13)14) 4-5-9(7)10/h1-6H,11H2,(H, 12,13,14); UWPJYQYRSWYIGZ-UHFFFAOYSA-N |
Nc1cccc2cc(ccc12)[S](O)(=O)=O; O=S(=O)(O )c1ccc2c(c1)cccc2N; c1cc2cc(ccc2c(c1)N)S (=O)(=O)O |
5-AMINO-NAPHTALENE-2-MONOSULFONATE |
| 34166 | N2N | 2 | C26 H31 Cl2 N3 O8 Pt | InChI=1S/C26H31N3O8.2ClH. Pt/c1-33-19-5-12(6-20(34- 2)25(19)31)22-14-7-17-18( 37-11-36-17)8-15(14)24(16 -10-35-26(32)23(16)22)29- 21(30)4-3-13(28)9-27;;;/h 5-8,13,16,22-24,31H,3-4,9 -11,27-28H2,1-2H3,(H,29,3 0);2*1H;/q;;;+2/p-2/t13-, 16+,22-,23+,24+;;;/m1.../ s1; PTKKCRGGEZZAPV-BFZFYWOISA-L |
COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O) OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)O CO4; COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[ C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@ @H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4; COc1c c(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C @@H](NC(=O)CC[C@H]4N|[Pt](|NC4)(Cl)Cl)c5 cc6OCOc6cc25; COc1cc(cc(OC)c1O)[CH]2[CH] 3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|N C4)(Cl)Cl)c5cc6OCOc6cc25; COc6cc(C4c1c(c c2c(c1)OCO2)C(NC(CCC3N[Pt](Cl)(Cl)NC3)=O )C5COC(C45)=O)cc(c6O)OC |
dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum |
| 34167 | N2O CHEMBL1234579 DB06690 |
29 | N2 O | InChI=1S/N2O/c1-2-3; GQPLMRYTRLFLPF-UHFFFAOYSA-N |
[O-][N+]#N; N#[N+][O-] | NITROUS OXIDE; NITROGEN OXIDE |
| 34168 | N2P CHEMBL119296 DB03854 ZINC000001529253 |
31 | C5 H14 N2 | InChI=1S/C5H14N2/c6-4-2-1 -3-5-7/h1-7H2; VHRGRCVQAFMJIZ-UHFFFAOYSA-N |
NCCCCCN; C(CCN)CCN | PENTANE-1,5-DIAMINE |
| 34169 | N2Q ZINC000032501645 |
2 | C8 H8 N2 O | InChI=1S/C8H8N2O/c1-6-2-3 -8(11-6)7-4-5-9-10-7/h2-5 H,1H3,(H,9,10); ZIJASYNQNLPMPY-UHFFFAOYSA-N |
Cc1ccc(o1)c1[NH]ncc1; Cc1ccc(o1)c2ccn[nH ]2; Cc1oc(cc1)c2[nH]ncc2 |
(5P)-5-(5-methylfuran-2-yl)-1H-pyrazole |
| 34170 | N2R | 2 | C26 H31 Cl2 N3 O8 Pt | InChI=1S/C26H31N3O8.2ClH. Pt/c1-33-19-5-12(6-20(34- 2)25(19)31)22-14-7-17-18( 37-11-36-17)8-15(14)24(16 -10-35-26(32)23(16)22)29- 21(30)4-3-13(28)9-27;;;/h 5-8,13,16,22-24,31H,3-4,9 -11,27-28H2,1-2H3,(H,29,3 0);2*1H;/q;;;+2/p-2/t13-, 16-,22+,23-,24-;;;/m0.../ s1; PTKKCRGGEZZAPV-FTKFZVBUSA-L |
COc1cc(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O) OC5)NC(=O)CCC6C[NH2][Pt]([NH2]6)(Cl)Cl)O CO4; COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[ C@@H]([C@@H]5[C@@H]2C(=O)OC5)NC(=O)CC[C@ H]6C[NH2][Pt]([NH2]6)(Cl)Cl)OCO4; COc1cc (cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@ @H](NC(=O)CC[C@@H]4N|[Pt](|NC4)(Cl)Cl)c5 cc6OCOc6cc25; COc1cc(cc(OC)c1O)[CH]2[CH] 3[CH](COC3=O)[CH](NC(=O)CC[CH]4N|[Pt](|N C4)(Cl)Cl)c5cc6OCOc6cc25; Cl[Pt]6(Cl)NCC (CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O)C3C2CO C3=O)cc4OCOc4c5)=O)N6 |
dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum |
| 34171 | N2S | 2 | C26 H31 Cl N3 O8 Pt | InChI=1S/C26H31N3O8.ClH.P t/c1-33-19-5-12(6-20(34-2 )25(19)31)22-14-7-17-18(3 7-11-36-17)8-15(14)24(16- 10-35-26(32)23(16)22)29-2 1(30)4-3-13(28)9-27;;/h5- 8,13,16,22-24,31H,3-4,9-1 1,27-28H2,1-2H3,(H,29,30) ;1H;/q;;+1/p-1/t13-,16-,2 2+,23+,24+;;/m0../s1; UVMRTXMJNLJFNR-LCZKZCLKSA-M |
COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]( [C@@H]5[C@H]2C(=O)OC5)NC(=O)CC[C@H]6C[NH 2][Pt]([NH2]6)Cl)OCO4; COc1cc(cc(OC)c1O) [C@H]2[C@H]3[C@H](COC3=O)[C@H](NC(=O)CC[ C@@H]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25; Cl[ Pt]6NCC(CCC(NC2c5c(C(c1cc(OC)c(c(c1)OC)O )C3C2COC3=O)cc4OCOc4c5)=O)N6; COc1cc(cc( c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)NC(=O) CCC6C[NH2][Pt]([NH2]6)Cl)OCO4; COc1cc(cc (OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC(=O )CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25 |
chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum |
| 34172 | N2T CHEMBL205437 DB08239 ZINC000013982377 |
2 | C23 H25 F2 N3 O | InChI=1S/C23H25F2N3O/c1-2 7(19-9-11-26-12-10-19)23( 29)28-15-17(20-14-18(24)7 -8-21(20)25)13-22(28)16-5 -3-2-4-6-16/h2-8,13-14,19 ,22,26H,9-12,15H2,1H3/t22 -/m0/s1; NKLVBHMAIMEVEH-QFIPXVFZSA-N |
CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c 4cc(ccc4F)F; CN(C1CCNCC1)C(=O)N2CC(=C[C@ H]2c3ccccc3)c4cc(F)ccc4F; Fc1cc(c(F)cc1) C4=CC(c2ccccc2)N(C(=O)N(C)C3CCNCC3)C4; C N(C1CCNCC1)C(=O)N2CC(=C[CH]2c3ccccc3)c4c c(F)ccc4F; CN(C1CCNCC1)C(=O)N2CC(=CC2c3c cccc3)c4cc(ccc4F)F |
(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE |
| 34173 | N2U | 1 | C24 H30 N2 O6 | InChI=1S/C24H30N2O6/c1-7- 31-20(27)16-12-13-24(22(2 9)30-6,25-19(16)21(28)32- 23(2,3)4)18-14-15-10-8-9- 11-17(15)26(18)5/h8-12,14 ,19,25H,7,13H2,1-6H3/t19- ,24+/m0/s1; KITXNGADRUMEPM-YADARESESA-N |
CCOC(=O)C1=CC[C@@](N[C@@H]1C(=O)OC(C)(C) C)(c2cc3ccccc3n2C)C(=O)OC; CCOC(=O)C1=CC [C](N[CH]1C(=O)OC(C)(C)C)(C(=O)OC)c2cc3c cccc3n2C; CCOC(=O)C1=CC[C@](N[C@@H]1C(=O )OC(C)(C)C)(C(=O)OC)c2cc3ccccc3n2C; CCOC (=O)C1=CCC(NC1C(=O)OC(C)(C)C)(c2cc3ccccc 3n2C)C(=O)OC |
O2-tert-butyl O3-ethyl O6-methyl (2S,6R)-6-(1-methylindol-2-yl)-2,5-dihydro-1H-pyridine-2,3,6-tricarboxylate |
| 34174 | N2V CHEMBL3950796 |
1 | C50 H47 Cl2 N3 O6 | InChI=1S/C50H47Cl2N3O6/c1 -4-44(35-8-6-5-7-9-35)55- 27-38-26-47-46(60-29-48(6 1-47)36-15-17-39(18-16-36 )59-28-33-12-19-41(51)42( 52)22-33)25-37(38)24-45(5 5)49(56)54-43(50(57)58)23 -32-10-13-34(14-11-32)40- 20-21-53-31(3)30(40)2/h5- 22,25-26,43-45,48H,4,23-2 4,27-29H2,1-3H3,(H,54,56) (H,57,58)/t43-,44-,45-,48 +/m0/s1; DEDPYBWOUXWMOX-ZTAAISNPSA-N |
CCC(c1ccccc1)N2Cc3cc4c(cc3CC2C(=O)NC(Cc5 ccc(cc5)c6ccnc(c6C)C)C(=O)O)OCC(O4)c7ccc (cc7)OCc8ccc(c(c8)Cl)Cl; CC[CH](N1Cc2cc3 O[CH](COc3cc2C[CH]1C(=O)N[CH](Cc4ccc(cc4 )c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c( Cl)c7)cc6)c8ccccc8; CC[C@H](N1Cc2cc3O[C@ H](COc3cc2C[C@H]1C(=O)N[C@@H](Cc4ccc(cc4 )c5ccnc(C)c5C)C(O)=O)c6ccc(OCc7ccc(Cl)c( Cl)c7)cc6)c8ccccc8; CC[C@@H](c1ccccc1)N2 Cc3cc4c(cc3C[C@H]2C(=O)N[C@@H](Cc5ccc(cc 5)c6ccnc(c6C)C)C(=O)O)OC[C@@H](O4)c7ccc( cc7)OCc8ccc(c(c8)Cl)Cl; c2(ccc(OCc1cc(Cl )c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O) O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C( c8ccccc8)CC |
N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine |
| 34175 | N2W | 2 | C26 H31 Cl N3 O8 Pt | InChI=1S/C26H31N3O8.ClH.P t/c1-33-19-5-12(6-20(34-2 )25(19)31)22-14-7-17-18(3 7-11-36-17)8-15(14)24(16- 10-35-26(32)23(16)22)29-2 1(30)4-3-13(28)9-27;;/h5- 8,13,16,22-24,31H,3-4,9-1 1,27-28H2,1-2H3,(H,29,30) ;1H;/q;;+1/p-1/t13-,16+,2 2-,23-,24-;;/m1../s1; UVMRTXMJNLJFNR-JLXFAVSYSA-M |
COc1c(c(cc(c1)C2C6C(C(c4c2cc3c(OCO3)c4)N C(=O)CCC5CN[Pt](Cl)N5)COC6=O)OC)O; COc1c c(cc(c1O)OC)C2c3cc4c(cc3C(C5C2C(=O)OC5)N C(=O)CCC6C[NH2][Pt]([NH2]6)Cl)OCO4; COc1 cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@ H]5[C@H]2C(=O)OC5)NC(=O)CC[C@@H]6C[NH2][ Pt]([NH2]6)Cl)OCO4; COc1cc(cc(OC)c1O)[C@ H]2[C@H]3[C@H](COC3=O)[C@H](NC(=O)CC[C@H ]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25; COc1cc( cc(OC)c1O)[CH]2[CH]3[CH](COC3=O)[CH](NC( =O)CC[CH]4N|[Pt](|NC4)Cl)c5cc6OCOc6cc25 |
chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum |
| 34176 | N2X | 1 | C17 H16 Br N O3 | InChI=1S/C17H16BrNO3/c1-2 -22-15-6-4-3-5-11(15)10-1 9-14-8-7-12(18)9-13(14)16 (20)17(19)21/h3-9,16,20H, 2,10H2,1H3/t16-/m0/s1; DDTMARFKTVIEHP-INIZCTEOSA-N |
CCOc1ccccc1CN1c2ccc(Br)cc2C(O)C1=O; CCOc 1ccccc1CN2C(=O)[C@@H](O)c3cc(Br)ccc23; C COc1ccccc1CN2C(=O)[CH](O)c3cc(Br)ccc23; CCOc1ccccc1CN2c3ccc(cc3[C@@H](C2=O)O)Br; CCOc1ccccc1CN2c3ccc(cc3C(C2=O)O)Br |
(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one |
| 34177 | N2Y CHEMBL309804 ZINC000013474371 |
30 | C9 H11 Cl N4 | InChI=1S/C9H11ClN4/c10-8- 2-1-7(5-13-8)6-14-4-3-12- 9(14)11/h1-2,5H,3-4,6H2,( H2,11,12); UEQZFAGVRGWPDK-UHFFFAOYSA-N |
Clc1ccc(CN2CCNC2=N)cn1; [H]/N=C\1/NCCN1C c2ccc(nc2)Cl; Clc1ncc(cc1)CN2C(=[N@H])NC C2; c1cc(ncc1CN2CCNC2=N)Cl |
(2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine |
| 34178 | N2Z ZINC000004218608 |
1 | C8 H6 Cl N3 | InChI=1S/C8H6ClN3/c9-7-4- 2-1-3-6(7)8-10-5-11-12-8/ h1-5H,(H,10,11,12); HUJUBANPLITKPV-UHFFFAOYSA-N |
Clc1ccccc1c2[nH]cnn2; c1ccc(c(c1)c2[nH]c nn2)Cl |
3-(2-chlorophenyl)-4~{H}-1,2,4-triazole |
| 34179 | N30 CHEMBL474967 ZINC000044018455 |
0 | C17 H34 N4 O10 | InChI=1S/C17H34N4O10/c18- 2-6-10(24)13(27)17(28-6)3 1-15-9(23)4(19)1-5(20)14( 15)30-16-8(21)12(26)11(25 )7(3-22)29-16/h4-17,22-27 H,1-3,18-21H2/t4-,5+,6-,7 -,8-,9+,10-,11-,12-,13-,1 4-,15-,16-,17+/m1/s1; FNBQIDOUCINBIA-VVPCINPTSA-N |
O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O) C3OC(C(O)C3O)CN; NC[C@H]1O[C@@H](O[C@@H] 2[C@@H](O)[C@H](N)C[C@H](N)[C@H]2O[C@H]3 O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@H] (O)[C@@H]1O; NC[CH]1O[CH](O[CH]2[CH](O)[ CH](N)C[CH](N)[CH]2O[CH]3O[CH](CO)[CH](O )[CH](O)[CH]3N)[CH](O)[CH]1O; C1[C@H]([C @@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H] ([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[ C@@H]([C@@H]([C@H](O3)CN)O)O)O)N; C1C(C( C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C( O3)CN)O)O)O)N |
(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSIDE |
| 34180 | N32 CHEMBL1092943 ZINC000029050858 |
6 | C24 H27 N O6 | InChI=1S/C24H27NO6/c1-13- 12-24-9-5-14(13)11-17(24) 23(2,18(27)6-10-24)8-7-19 (28)25-20-16(26)4-3-15(21 (20)29)22(30)31/h3-4,6,10 ,14,17,26,29H,1,5,7-9,11- 12H2,2H3,(H,25,28)(H,30,3 1)/t14-,17-,23-,24+/m0/s1; DWUHGPPFFABTIY-RLWZQHMASA-N |
CC1(C2CC3CCC2(CC3=C)C=CC1=O)CCC(=O)Nc4c( ccc(c4O)C(=O)O)O; C[C]1(CCC(=O)Nc2c(O)cc c(C(O)=O)c2O)[CH]3C[CH]4CC[C]3(CC4=C)C=C C1=O; O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C (=O)C=CC42CCC(/C(=C)C2)CC34)C; C[C@]1(CC C(=O)Nc2c(O)ccc(C(O)=O)c2O)[C@@H]3C[C@@H ]4CC[C@]3(CC4=C)C=CC1=O; C[C@@]1([C@@H]2 C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4 c(ccc(c4O)C(=O)O)O |
2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid; Platencin |
| 34181 | N33 ZINC000064436308 |
0 | C19 H38 N4 O12 | InChI=1S/C19H38N4O12/c20- 5-1-6(21)15(14(29)11(5)26 )35-19-10(23)17(13(28)8(3 -25)34-19)32-4-31-16-9(22 )18(30)33-7(2-24)12(16)27 /h5-19,24-30H,1-4,20-23H2 /t5-,6+,7-,8-,9-,10-,11+, 12-,13-,14-,15-,16-,17-,1 8+,19-/m1/s1; BKAACSMFIQVWGC-LZHQQFSOSA-N |
O(C1C(O)C(O)C(N)CC1N)C3OC(C(O)C(OCOC2C(N )C(O)OC(CO)C2O)C3N)CO; C1C(C(C(C(C1N)OC2 C(C(C(C(O2)CO)O)OCOC3C(C(OC(C3O)CO)O)N)N )O)O)N; N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O [C@H](CO)[C@@H](O)[C@H](OCO[C@@H]3[C@@H] (N)[C@@H](O)O[C@H](CO)[C@H]3O)[C@H]2N)[C @H](O)[C@H]1O; N[CH]1C[CH](N)[CH](O[CH]2 O[CH](CO)[CH](O)[CH](OCO[CH]3[CH](N)[CH] (O)O[CH](CO)[CH]3O)[CH]2N)[CH](O)[CH]1O; C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C @@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O CO[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO) O)N)N)O)O)N |
|
| 34182 | N34 ZINC000059157901 |
2 | C21 H29 N5 O6 S2 | InChI=1S/C21H29N5O6S2/c1- 21(2,3)9-11-26-20(28)17(1 8(27)15-6-5-10-25(15)26)1 9-22-14-8-7-13(23-33(4,29 )30)12-16(14)34(31,32)24- 19/h7-8,12,15,23,27H,5-6, 9-11H2,1-4H3,(H,22,24)/t1 5-/m0/s1; OCQGEVFPTYSQCK-HNNXBMFYSA-N |
CC(C)(C)CCN1N2CCC[C@H]2C(=C(C1=O)C3=Nc4c cc(N[S](C)(=O)=O)cc4[S](=O)(=O)N3)O; O=S (=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4 N(N(C3=O)CCC(C)(C)C)CCC4)C; CC(C)(C)CCN1 C(=O)C(=C(C2N1CCC2)O)C3=Nc4ccc(cc4S(=O)( =O)N3)NS(=O)(=O)C; CC(C)(C)CCN1C(=O)C(=C ([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(= O)N3)NS(=O)(=O)C; CC(C)(C)CCN1N2CCC[CH]2 C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)cc4[S] (=O)(=O)N3)O |
N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro -1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide; N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1, 2,4-benzothiadiazin-7-yl}methanesulfonamide |
| 34183 | N35 CHEMBL515012 ZINC000040917273 |
2 | C21 H28 N6 O6 S2 | InChI=1S/C21H28N6O6S2/c1- 13(2)8-11-27-21(29)17(18( 28)20(23-27)26-9-4-5-10-2 6)19-22-15-7-6-14(24-34(3 ,30)31)12-16(15)35(32,33) 25-19/h6-7,12-13,24,28H,4 -5,8-11H2,1-3H3,(H,22,25); QUWPELVBLLLYGL-UHFFFAOYSA-N |
CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc 4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C; O=S(=O) (Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN( C3=O)CCC(C)C)N4CCCC4)C; CC(C)CCN1N=C(N2C CCC2)C(=C(C1=O)C3=Nc4ccc(N[S](C)(=O)=O)c c4[S](=O)(=O)N3)O |
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide; N-{3-[5-Hydroxy-2-(3-methyl-butyl)-3-oxo-6-pyrrolidin-1-yl-2,3-dihydro-pyridazin-4-yl]-1,1-dioxo-1,2-dihydro-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide |
| 34184 | N36 CHEMBL508676 ZINC000002567934 |
2 | C9 H10 O3 | InChI=1S/C9H10O3/c1-2-12- 9-5-7(6-10)3-4-8(9)11/h3- 6,11H,2H2,1H3; CBOQJANXLMLOSS-UHFFFAOYSA-N |
CCOc1cc(C=O)ccc1O; CCOc1cc(ccc1O)C=O | 3-ethoxy-4-hydroxybenzaldehyde; Ethyl vanillin |
| 34185 | N37 CHEMBL4591248 |
4 | C24 H27 N7 O6 | InChI=1S/C24H27N7O6/c25-1 5(24(35)36)7-6-13(5-4-12- 2-1-3-14(8-12)21(27)34)9- 16-18(32)19(33)23(37-16)3 1-11-30-17-20(26)28-10-29 -22(17)31/h1-3,8,10-11,13 ,15-16,18-19,23,32-33H,6- 7,9,25H2,(H2,27,34)(H,35, 36)(H2,26,28,29)/t13-,15- ,16+,18+,19+,23+/m0/s1; QRKSTGPKAQGBDD-GGPTZFPQSA-N |
N[CH](CC[CH](C[CH]1O[CH]([CH](O)[CH]1O)n 2cnc3c(N)ncnc23)C#Cc4cccc(c4)C(N)=O)C(O) =O; c1cc(cc(c1)C(=O)N)C#CC(CCC(C(=O)O)N) CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1cc(cc( c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[ C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc 4N)O)O; N[C@@H](CC[C@@H](C[C@H]1O[C@H]([ C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C#Cc4cc cc(c4)C(N)=O)C(O)=O; c12ncnc(c1ncn2C3OC( C(C3O)O)CC(C#Cc4cccc(c4)C(N)=O)CCC(N)C(O )=O)N |
9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine |
| 34186 | N38 ZINC000584905779 |
4 | C26 H41 N3 O7 S | InChI=1S/C26H41N3O7S/c1-3 5-22-8-10-23(11-9-22)36-1 4-5-15-37(33,34)29-24(16- 19-6-3-2-4-7-19)26(32)28- 21(18-30)17-20-12-13-27-2 5(20)31/h8-11,19-21,24,29 -30H,2-7,12-18H2,1H3,(H,2 7,31)(H,28,32)/t20-,21-,2 4-/m0/s1; JSFDYEDTWWEPLF-HFMPRLQTSA-N |
COc1ccc(cc1)OCCCS(=O)(=O)N[C@@H](CC2CCCC C2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)CO; COc1 ccc(OCCC[S](=O)(=O)N[CH](CC2CCCCC2)C(=O) N[CH](CO)C[CH]3CCNC3=O)cc1; COc1ccc(OCCC [S](=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H] (CO)C[C@@H]3CCNC3=O)cc1; COc3ccc(OCCCS(N C(CC1CCCCC1)C(NC(CO)CC2CCNC2=O)=O)(=O)=O )cc3; COc1ccc(cc1)OCCCS(=O)(=O)NC(CC2CCC CC2)C(=O)NC(CC3CCNC3=O)CO |
3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-L- alaninamide; 3-cyclohexyl-N~2~-{[3-(4-methoxyphenoxy)propyl]sulfonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alan inamide (bound form) |
| 34187 | N39 | 1 | C31 H36 N2 O8 S | InChI=1S/C31H36N2O8S/c1-8 -40-27(34)23-17-18-31(29( 36)39-7,25-19-21-11-9-10- 12-24(21)32(25)6)33(26(23 )28(35)41-30(3,4)5)42(37, 38)22-15-13-20(2)14-16-22 /h9-17,19,26H,8,18H2,1-7H 3/t26-,31+/m0/s1; FUSYRUNCXNWFDD-SUYBVONHSA-N |
CCOC(=O)C1=CC[C](N([CH]1C(=O)OC(C)(C)C)[ S](=O)(=O)c2ccc(C)cc2)(C(=O)OC)c3cc4cccc c4n3C; CCOC(=O)C1=CC[C@@](N([C@@H]1C(=O) OC(C)(C)C)S(=O)(=O)c2ccc(cc2)C)(c3cc4ccc cc4n3C)C(=O)OC; CCOC(=O)C1=CC[C@](N([C@@ H]1C(=O)OC(C)(C)C)[S](=O)(=O)c2ccc(C)cc2 )(C(=O)OC)c3cc4ccccc4n3C; CCOC(=O)C1=CCC (N(C1C(=O)OC(C)(C)C)S(=O)(=O)c2ccc(cc2)C )(c3cc4ccccc4n3C)C(=O)OC |
O1-tert-butyl O2-ethyl O5-methyl (E,5R)-5-(1-methylindol-2-yl)-5-[(4-methylphenyl)sulfonylamino]pent-2-ene-1,2,5-tricarboxylate; 3-formyl rifamycin SV |
| 34188 | N3A ZINC000058638808 |
1 | C24 H27 N O7 | InChI=1S/C24H27NO7/c1-12- 11-24-8-5-17(27)23(2,16(2 4)9-13(12)10-18(24)28)7-6 -19(29)25-20-15(26)4-3-14 (21(20)30)22(31)32/h3-5,8 ,13,16,18,26,28,30H,1,6-7 ,9-11H2,2H3,(H,25,29)(H,3 1,32)/t13-,16+,18-,23+,24 +/m1/s1; KCPPASJQWABQQM-XLJNEENLSA-N |
O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC4(C(=O)C= CC32C/C(=C)C(CC2O)CC34)C; CC1(C2CC3CC(C2 (CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(= O)O)O; C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@ ]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C (=O)O)O; C[C@]1(CCC(=O)Nc2c(O)ccc(C(O)=O )c2O)[C@@H]3C[C@@H]4C[C@@H](O)[C@]3(CC4= C)C=CC1=O; C[C]1(CCC(=O)Nc2c(O)ccc(C(O)= O)c2O)[CH]3C[CH]4C[CH](O)[C]3(CC4=C)C=CC 1=O |
2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonap hthalen-8-yl]propanoyl}amino)benzoic acid; Platencin A1 |
| 34189 | N3B CHEMBL371861 ZINC000028568875 |
1 | C27 H22 F N3 O5 S2 | InChI=1S/C27H22FN3O5S2/c2 8-22-12-10-20(11-13-22)19 -6-8-21(9-7-19)27(32)30-3 8(35,36)24-14-15-25(26(18 -24)31(33)34)29-16-17-37- 23-4-2-1-3-5-23/h1-15,18, 29H,16-17H2,(H,30,32); SWGIDRBGIJDBQO-UHFFFAOYSA-N |
c1ccc(cc1)SCCNc2ccc(cc2[N+](=O)[O-])S(=O )(=O)NC(=O)c3ccc(cc3)c4ccc(cc4)F; Fc1ccc (cc1)c2ccc(cc2)C(=O)NS(=O)(=O)c3ccc(c([N +]([O-])=O)c3)NCCSc4ccccc4; [O-][N+](=O) c1cc(ccc1NCCSc2ccccc2)[S](=O)(=O)NC(=O)c 3ccc(cc3)c4ccc(F)cc4 |
N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE |
| 34190 | N3C CHEMBL376408 DB17023 ZINC000094303099 |
9 | C42 H45 Cl N6 O5 S2 | InChI=1S/C42H45ClN6O5S2/c 1-46(2)23-22-35(30-55-37- 9-4-3-5-10-37)44-40-21-20 -38(28-41(40)49(51)52)56( 53,54)45-42(50)32-14-18-3 6(19-15-32)48-26-24-47(25 -27-48)29-33-8-6-7-11-39( 33)31-12-16-34(43)17-13-3 1/h3-21,28,35,44H,22-27,2 9-30H2,1-2H3,(H,45,50)/t3 5-/m1/s1; HPLNQCPCUACXLM-PGUFJCEWSA-N |
CN(C)CCC(CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O -])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc 5ccccc5c6ccc(cc6)Cl; CN(C)CC[C@H](CSc1cc ccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC( =O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc 6)Cl; CN(C)CC[CH](CSc1ccccc1)Nc2ccc(cc2[ N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N 4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6; CN(C)CC[ C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[ S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5c cccc5c6ccc(Cl)cc6; [O-][N+](=O)c2cc(ccc2 NC(CCN(C)C)CSc1ccccc1)S(=O)(=O)NC(=O)c6c cc(N5CCN(Cc4c(c3ccc(Cl)cc3)cccc4)CC5)cc6 |
4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE; ABT-737 |
| 34191 | N3D CHEMBL174165 ZINC000001586437 |
0 | C4 H12 N2 | InChI=1S/C4H12N2/c1-6-4-2 -3-5/h6H,2-5H2,1H3; QHJABUZHRJTCAR-UHFFFAOYSA-N |
NCCCNC; CNCCCN | N-methylpropane-1,3-diamine |
| 34192 | N3E CHEMBL469949 ZINC000024805486 |
2 | C15 H21 N3 O7 | InChI=1S/C15H21N3O7/c19-7 -9-11(17-4-1-8(2-5-17)14( 22)23)12(21)13(25-9)18-6- 3-10(20)16-15(18)24/h3,6, 8-9,11-13,19,21H,1-2,4-5, 7H2,(H,22,23)(H,16,20,24) /t9-,11-,12+,13-/m1/s1; IBEGWFLXVPJKRI-FOUMNBMASA-N |
C1CN(CCC1C(=O)O)C2C(OC(C2O)N3C=CC(=O)NC3 =O)CO; C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@ H]([C@H]2O)N3C=CC(=O)NC3=O)CO; OC[C@H]1O [C@H]([C@@H](O)[C@@H]1N2CC[C@H](CC2)C(O) =O)N3C=CC(=O)NC3=O; O=C(O)C3CCN(C2C(OC(N 1C(=O)NC(=O)C=C1)C2O)CO)CC3; OC[CH]1O[CH ]([CH](O)[CH]1N2CC[CH](CC2)C(O)=O)N3C=CC (=O)NC3=O |
1-[3-(4-CARBOXYPIPERIDIN-1-YL)-3-DEOXY-BETA-D-ARABINOFURANOSYL]PYRIMIDINE-2,4(1H,3H)-DIONE; 3-N-PIPERIDINE-4-CARBOXYL-3-DEOXY-ARA-URIDINE |
| 34193 | N3F CHEMBL152596 ZINC000000017685 |
1 | C19 H16 N2 O | InChI=1S/C19H16N2O/c20-17 -8-4-5-9-18(17)21-16-12-1 0-15(11-13-16)19(22)14-6- 2-1-3-7-14/h1-13,21H,20H2; RAWYMBACZSQNDD-UHFFFAOYSA-N |
Nc1ccccc1Nc2ccc(cc2)C(=O)c3ccccc3; c1ccc (cc1)C(=O)c2ccc(cc2)Nc3ccccc3N; O=C(c1cc ccc1)c2ccc(cc2)Nc3ccccc3N |
{4-[(2-aminophenyl)amino]phenyl}(phenyl)methanone |
| 34194 | N3G CHEMBL5612469 |
1 | C19 H29 N9 O4 S2 | InChI=1S/C19H29N9O4S2/c20 -17-16-18(22-10-21-17)28( 11-23-16)8-4-3-7-24-34(31 ,32)27-14(29)6-2-1-5-13-1 5-12(9-33-13)25-19(30)26- 15/h10-13,15,24H,1-9H2,(H ,27,29)(H2,20,21,22)(H2,2 5,26,30)/t12-,13-,15-/m0/ s1; WPCYKZJXLXIRGW-YDHLFZDLSA-N |
c2nc1c(N)ncnc1n2CCCCNS(NC(CCCCC4C3NC(=O) NC3CS4)=O)(=O)=O; Nc1ncnc2n(CCCCN[S](=O) (=O)NC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34) cnc12; Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)C CCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cnc12; c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)C CCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N; c1 nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)CCCC C3C4C(CS3)NC(=O)N4)N |
N-{[4-(6-amino-9H-purin-9-yl)butyl]sulfamoyl}-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
| 34195 | N3H CHEMBL401825 ZINC000029043133 |
2 | C21 H23 N5 O6 S3 | InChI=1S/C21H23N5O6S3/c1- 12(2)8-9-26-21(28)17(19(2 7)18(23-26)15-5-4-10-33-1 5)20-22-14-7-6-13(24-34(3 ,29)30)11-16(14)35(31,32) 25-20/h4-7,10-12,24,27H,8 -9H2,1-3H3,(H,22,25); UNKTYNIAIAATDF-UHFFFAOYSA-N |
CC(C)CCN1N=C(C(=C(C1=O)C2=Nc3ccc(N[S](C) (=O)=O)cc3[S](=O)(=O)N2)O)c4sccc4; CC(C) CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc( cc4S(=O)(=O)N3)NS(=O)(=O)C; O=S(=O)(Nc1c cc2N=C(NS(=O)(=O)c2c1)C3=C(O)C(=NN(C3=O) CCC(C)C)c4sccc4)C |
N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide; N-{3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-yl-2,3-dihydropyridazin-4-yl]-1,1-dioxo-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
| 34196 | N3I | 1 | C15 H15 Cl N2 O2 | InChI=1S/C15H15ClN2O2/c1- 10-3-4-17-9-14(10)18-15(1 9)7-11-5-12(16)8-13(6-11) 20-2/h3-6,8-9H,7H2,1-2H3, (H,18,19); WXCJKPMYIYFEDR-UHFFFAOYSA-N |
O=C(Nc1cnccc1C)Cc1cc(OC)cc(Cl)c1; Cc1ccn cc1NC(=O)Cc2cc(cc(c2)Cl)OC; COc1cc(Cl)cc (CC(=O)Nc2cnccc2C)c1 |
2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 34197 | N3L | 3 | C21 H25 N3 O | InChI=1S/C21H25N3O/c1-19( 2)16-11-21-8-5-9-24(21)12 -20(16,23-18(21)25)10-14- 13-6-3-4-7-15(13)22-17(14 )19/h3-4,6-7,16,22H,5,8-1 2H2,1-2H3,(H,23,25)/t16-, 20-,21+/m1/s1; LBTZXCFDJFHPMI-HBGVWJBISA-N |
CC1(C)[C@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[nH ]c6ccccc56)NC4=O; CC1(C)[CH]2C[C]34CCCN3 C[C]2(Cc5c1[nH]c6ccccc56)NC4=O; CC1(C)C2 CC34CCCN4CC2(NC3=O)Cc2c3ccccc3[NH]c21; C C1(c2c(c3ccccc3[nH]2)C[C@]45[C@@H]1C[C@@ ]6(CCCN6C4)C(=O)N5)C; CC1(c2c(c3ccccc3[n H]2)CC45C1CC6(CCCN6C4)C(=O)N5)C |
Penicimutamide E |
| 34198 | N3M CHEMBL1606123 ZINC000003874021 |
4 | C8 H10 N2 O | InChI=1S/C8H10N2O/c1-6(11 )10-8-4-2-3-7(9)5-8/h2-5H ,9H2,1H3,(H,10,11); PEMGGJDINLGTON-UHFFFAOYSA-N |
CC(=O)Nc1cccc(c1)N; O=C(Nc1cccc(c1)N)C; CC(=O)Nc1cccc(N)c1 |
N-(3-aminophenyl)acetamide |
| 34199 | N3O | 1 | C10 H11 N3 O2 | InChI=1S/C10H11N3O2/c1-3- 9(14)12-7-4-8-6(2)13-15-1 0(8)11-5-7/h4-5H,3H2,1-2H 3,(H,12,14); LSSGMABBUKKUJR-UHFFFAOYSA-N |
CCC(=O)Nc1cnc2onc(C)c2c1; CCC(=O)Nc1cc2c (noc2nc1)C |
~{N}-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)propanamide |
| 34200 | N3P CHEMBL1234585 DB08240 ZINC000002168663 |
4 | C17 H13 Cl N O5 P | InChI=1S/C17H13ClNO5P/c18 -13-5-7-14(8-6-13)19-17(2 0)15-9-11-3-1-2-4-12(11)1 0-16(15)24-25(21,22)23/h1 -10H,(H,19,20)(H2,21,22,2 3); RQAQWBFHPMSXKR-UHFFFAOYSA-N |
Clc3ccc(NC(=O)c2cc1ccccc1cc2OP(=O)(O)O)c c3; c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl) OP(=O)(O)O; O[P](O)(=O)Oc1cc2ccccc2cc1C( =O)Nc3ccc(Cl)cc3 |
N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-2-CARBOXAMIDE |