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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 30201 | N4F | 1 | C9 H12 N2 O S | InChI=1S/C9H12N2OS/c1-2-9 (12)11-4-3-7-8(5-11)13-6- 10-7/h6H,2-5H2,1H3; AIGPRWNLVUWLJG-UHFFFAOYSA-N |
CCC(=O)N1CCc2ncsc2C1; CCC(=O)N1CCc2c(scn 2)C1 |
1-(6,7-dihydro-4~{H}-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one |
| 30202 | N4I ZINC000098209204 |
2 | C26 H27 F3 N4 O4 S | InChI=1S/C26H27F3N4O4S/c2 7-26(28,29)20-8-4-17(5-9- 20)16-33(38(36,37)22-10-6 -19(7-11-22)25(30)35)24-1 5-31-14-23(24)32-13-18-2- 1-3-21(34)12-18/h1-12,23- 24,31-32,34H,13-16H2,(H2, 30,35)/t23-,24-/m0/s1; ZYWFLXMDPHUHGO-ZEQRLZLVSA-N |
NC(=O)c1ccc(cc1)[S](=O)(=O)N(Cc2ccc(cc2) C(F)(F)F)[C@H]3CNC[C@@H]3NCc4cccc(O)c4; c1cc(cc(c1)O)CN[C@H]2CNC[C@@H]2N(Cc3ccc( cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N; c1cc(cc(c1)O)CNC2CNCC2N(Cc3ccc(cc3)C(F)( F)F)S(=O)(=O)c4ccc(cc4)C(=O)N; NC(=O)c1c cc(cc1)[S](=O)(=O)N(Cc2ccc(cc2)C(F)(F)F) [CH]3CNC[CH]3NCc4cccc(O)c4; O=S(=O)(N(C2 C(NCc1cccc(O)c1)CNC2)Cc3ccc(cc3)C(F)(F)F )c4ccc(C(=O)N)cc4 |
4-({(3S,4S)-4-[(3-hydroxybenzyl)amino]pyrrolidin-3-yl}[4-(trifluoromethyl)benzyl]sulfamoyl)benzamide |
| 30203 | N4K CHEMBL4639413 |
2 | C27 H32 N4 O2 S | InChI=1S/C27H32N4O2S/c1-3 0-24-11-16-34-26(24)17-25 (30)27-29-23(19-3-2-4-19) 18-31(27)14-15-32-20-5-7- 21(8-6-20)33-22-9-12-28-1 3-10-22/h5-8,11,16-19,22, 28H,2-4,9-10,12-15H2,1H3; NQNCYOLLDZOUKP-UHFFFAOYSA-N |
Cn1c2ccsc2cc1c3nc(cn3CCOc4ccc(cc4)OC5CCN CC5)C6CCC6; Cn1c2ccsc2cc1c3nc(cn3CCOc4cc c(OC5CCNCC5)cc4)C6CCC6 |
5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole |
| 30204 | N4L | 1 | C20 H20 N2 O4 | InChI=1S/C20H20N2O4/c1-13 -6-5-7-15-19(13)14(12-18( 23)22-15)20(24)21-10-11-2 6-17-9-4-3-8-16(17)25-2/h 3-9,12H,10-11H2,1-2H3,(H, 21,24)(H,22,23); FVKXXNFROYGAEF-UHFFFAOYSA-N |
Cc1cccc2c1C(=CC(=O)N2)C(=O)NCCOc3ccccc3O C; COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(C )c23; COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccc c(C)c21 |
N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| 30205 | N4M ZINC000098209205 |
2 | C30 H45 N6 O16 P | InChI=1S/C30H45N6O16P/c1- 12(21-13(2)33-26-22(34-21 )27(44)36-30(31)35-26)32- 15-5-3-14(4-6-15)9-16(37) 23(41)17(38)10-49-29-25(4 3)24(42)19(51-29)11-50-53 (47,48)52-18(28(45)46)7-8 -20(39)40/h3-6,12-13,16-1 9,21,23-25,29,32,34,37-38 ,41-43H,7-11H2,1-2H3,(H,3 9,40)(H,45,46)(H,47,48)(H 4,31,33,35,36,44)/t12-,13 +,16+,17-,18-,19-,21+,23- ,24-,25-,29+/m1/s1; SCBIBGUJSMHIAI-FQVOATFZSA-N |
CC1C(NC2=C(N1)NC(=NC2=O)N)C(C)Nc3ccc(cc3 )CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O )O)C(=O)O)O)O)O)O)O; C[CH](Nc1ccc(C[CH]( O)[CH](O)[CH](O)CO[CH]2O[CH](CO[P](O)(=O )O[CH](CCC(O)=O)C(O)=O)[CH](O)[CH]2O)cc1 )[CH]3NC4=C(N[CH]3C)NC(=NC4=O)N; C[C@@H] (Nc1ccc(C[C@H](O)[C@@H](O)[C@H](O)CO[C@H ]2O[C@H](CO[P](O)(=O)O[C@H](CCC(O)=O)C(O )=O)[C@@H](O)[C@H]2O)cc1)[C@@H]3NC4=C(N[ C@H]3C)NC(=NC4=O)N; O=C2N=C(N)NC=1NC(C)C (NC=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC( C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C; C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H ](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C @@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[ C@H](CCC(=O)O)C(=O)O)O)O)O)O)O |
1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-xylitol; Tetrahydromethanopterin |
| 30206 | N4N CHEMBL4647986 ZINC000000088261 |
3 | C15 H11 N3 O2 S | InChI=1S/C15H11N3O2S/c19- 14(20)10-4-3-5-11(8-10)17 -15-18-13(9-21-15)12-6-1- 2-7-16-12/h1-9H,(H,17,18) (H,19,20); AHNQVGWWBKRTON-UHFFFAOYSA-N |
OC(=O)c1cccc(Nc2scc(n2)c3ccccn3)c1; c1cc nc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O |
3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid |
| 30207 | N4O ZINC000030729405 |
1 | C4 H9 O6 P | InChI=1S/C4H9O6P/c1-3(5)4 (6)2-10-11(7,8)9/h4,6H,2H 2,1H3,(H2,7,8,9)/t4-/m1/s 1; OKYHYXLCTGGOLM-SCSAIBSYSA-N |
CC(=O)C(COP(=O)(O)O)O; CC(=O)[C@H](O)CO[ P](O)(O)=O; CC(=O)[CH](O)CO[P](O)(O)=O; CC(=O)[C@@H](COP(=O)(O)O)O; O=P(O)(O)OCC (O)C(C)=O |
(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate |
| 30208 | N4P | 15 | C10 H26 N4 | InChI=1S/C10H26N4/c11-5-1 -2-8-14(9-3-6-12)10-4-7-1 3/h1-13H2; CAARYRKDWMNHCB-UHFFFAOYSA-N |
C(CCN(CCCN)CCCN)CN; NCCCCN(CCCN)CCCN | N,N-bis(3-aminopropyl)butane-1,4-diamine; N4-aminopropylspermidine |
| 30209 | N4Q CHEMBL4441577 |
1 | C22 H20 N2 O3 | InChI=1S/C22H20N2O3/c1-25 -18-7-4-15(5-8-18)21-14-2 4-13-16(6-9-22(24)23-21)1 7-10-19(26-2)12-20(11-17) 27-3/h4-14H,1-3H3; IHJONSSVOHRQHD-UHFFFAOYSA-N |
COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(cc(c4)OC )OC; COc1ccc(cc1)c2cn3cc(ccc3n2)c4cc(OC) cc(OC)c4 |
6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine |
| 30210 | N4R CHEMBL2179618 ZINC000095573398 |
5 | C19 H23 N3 O3 | InChI=1S/C19H23N3O3/c1-2- 3-13-22(19(24)20-17-7-5-4 -6-8-17)14-15-9-11-16(12- 10-15)18(23)21-25/h4-12,2 5H,2-3,13-14H2,1H3,(H,20, 24)(H,21,23); JZWXMCPARMXZQV-UHFFFAOYSA-N |
CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2 | NEXTURASTAT A |
| 30211 | N4S ZINC000098209206 |
0 | C19 H37 N6 O7 P | InChI=1S/C19H37N6O7P/c20- 6-3-9-21-7-1-2-8-22-10-4- 11-23-17-5-12-25(19(27)24 -17)18-13-15(26)16(32-18) 14-31-33(28,29)30/h5,12,1 5-16,18,21-22,26H,1-4,6-1 1,13-14,20H2,(H,23,24,27) (H2,28,29,30)/t15-,16+,18 +/m0/s1; BLNZPBQNKBWMDS-LZLYRXPVSA-N |
O=P(O)(O)OCC2OC(N1C(=O)N=C(NCCCNCCCCNCCC N)C=C1)CC2O; C1[C@@H]([C@H](O[C@H]1N2C=C C(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O; N CCCNCCCCNCCCNC1=NC(=O)N(C=C1)[C@H]2C[C@H ](O)[C@@H](CO[P](O)(O)=O)O2; C1C(C(OC1N2 C=CC(=NC2=O)NCCCNCCCCNCCCN)COP(=O)(O)O)O ; NCCCNCCCCNCCCNC1=NC(=O)N(C=C1)[CH]2C[C H](O)[CH](CO[P](O)(O)=O)O2 |
N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen phosphate) |
| 30212 | N4T CHEMBL204459 DB08244 ZINC000013982540 |
2 | C21 H20 F2 N2 O | InChI=1S/C21H20F2N2O/c22- 16-8-9-18(23)17(11-16)15- 10-19(13-4-2-1-3-5-13)25( 12-15)21(26)20(24)14-6-7- 14/h1-5,8-11,14,19-20H,6- 7,12,24H2/t19-,20-/m0/s1; VCOUEHUEFUDZIS-PMACEKPBSA-N |
N[CH](C1CC1)C(=O)N2CC(=C[CH]2c3ccccc3)c4 cc(F)ccc4F; O=C(N2CC(=CC2c1ccccc1)c3cc(F )ccc3F)C(N)C4CC4; N[C@@H](C1CC1)C(=O)N2C C(=C[C@H]2c3ccccc3)c4cc(F)ccc4F; c1ccc(c c1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc (ccc4F)F; c1ccc(cc1)C2C=C(CN2C(=O)C(C3CC 3)N)c4cc(ccc4F)F |
(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE |
| 30213 | N4U | 1 | C8 H11 N3 O | InChI=1S/C8H11N3O/c1-3-8( 12)11-7-4-9-6(2)10-5-7/h4 -5H,3H2,1-2H3,(H,11,12); FGDIXUKKWMCJCI-UHFFFAOYSA-N |
CCC(=O)Nc1cnc(C)nc1; CCC(=O)Nc1cnc(nc1)C | ~{N}-(2-methylpyrimidin-5-yl)propanamide |
| 30214 | N4W CHEMBL4531049 |
2 | C23 H20 Cl N5 O2 S | InChI=1S/C23H20ClN5O2S/c1 -32(30,31)18-9-10-19(21(1 5-18)29-23-26-12-5-13-27- 23)28-22(20-8-2-3-11-25-2 0)16-6-4-7-17(24)14-16/h2 -15,22,28H,1H3,(H,26,27,2 9)/t22-/m0/s1; JZZKDASEJHKEGM-QFIPXVFZSA-N |
C[S](=O)(=O)c1ccc(N[CH](c2cccc(Cl)c2)c3c cccn3)c(Nc4ncccn4)c1; CS(=O)(=O)c1ccc(c( c1)Nc2ncccn2)NC(c3cccc(c3)Cl)c4ccccn4; C S(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3 cccc(c3)Cl)c4ccccn4; C[S](=O)(=O)c1ccc(N [C@@H](c2cccc(Cl)c2)c3ccccn3)c(Nc4ncccn4 )c1 |
~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine |
| 30215 | N4X CHEMBL5280447 |
3 | C18 H21 N3 O | InChI=1S/C18H21N3O/c1-18( 2)13-20(17(19)22)15-10-6- 7-11-16(15)21(18)12-14-8- 4-3-5-9-14/h3-11H,12-13H2 ,1-2H3,(H2,19,22); FMYXSWJEOXUWRT-UHFFFAOYSA-N |
CC1(CN(c2ccccc2N1Cc3ccccc3)C(=O)N)C; CC1 (C)CN(C(N)=O)c2ccccc2N1Cc3ccccc3 |
3,3-dimethyl-4-(phenylmethyl)-2~{H}-quinoxaline-1-carboxamide |
| 30216 | N4Z CHEMBL4446126 |
2 | C28 H27 Cl F2 N8 O5 S | InChI=1S/C28H27ClF2N8O5S/ c1-42-27-37-25(36-26(38-2 7)39-13-11-32-12-14-39)35 -20-15-16(45(2,40)41)8-9- 19(20)34-22(23-18(29)6-4- 10-33-23)17-5-3-7-21-24(1 7)44-28(30,31)43-21/h3-10 ,15,22,32,34H,11-14H2,1-2 H3,(H,35,36,37,38)/t22-/m 0/s1; QJIMSJUUARCROQ-QFIPXVFZSA-N |
COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3NC(c4ccc c5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C; COc1nc(Nc2cc(ccc2N[CH](c3cccc4OC(F)(F)Oc 34)c5ncccc5Cl)[S](C)(=O)=O)nc(n1)N6CCNCC 6; COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@ H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O )(=O)C; COc1nc(Nc2cc(ccc2N[C@@H](c3cccc4 OC(F)(F)Oc34)c5ncccc5Cl)[S](C)(=O)=O)nc( n1)N6CCNCC6 |
~{N}1-[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]-~{N}2-(4-methoxy-6-piperazin-1-yl-1,3,5-triazin-2-yl)-4-methylsulfonyl-benzene-1,2-diamine |
| 30217 | N50 ZINC000095921341 |
2 | C11 H16 N2 O4 | InChI=1S/C11H16N2O4/c1-7- 9(4-8(5-14)6-15)12-11(17- 3)13-10(7)16-2/h4,14-15H, 5-6H2,1-3H3; YLFWDZOXQQHLDL-UHFFFAOYSA-N |
Cc1c(nc(nc1OC)OC)C=C(CO)CO; COc1nc(OC)c( C)c(C=C(CO)CO)n1; O(c1nc(\C=C(/CO)CO)c(c (OC)n1)C)C |
2-[(2,6-dimethoxy-5-methylpyrimidin-4-yl)methylidene]propane-1,3-diol |
| 30218 | N51 CHEMBL4446338 |
2 | C31 H29 N7 O2 | InChI=1S/C31H29N7O2/c1-38 (2)16-6-11-30(39)36-22-14 -12-21(13-15-22)31(40)37- 24-8-5-7-23(17-24)35-29-1 8-28(33-20-34-29)26-19-32 -27-10-4-3-9-25(26)27/h3- 15,17-20,32H,16H2,1-2H3,( H,36,39)(H,37,40)(H,33,34 ,35)/b11-6+; MJJJRRMQCUUKEO-IZZDOVSWSA-N |
CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc( c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5; N(C([C@H ]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc( ncn2)c4cnc3c4cccc3)ccc5; CN(C)CC=CC(=O)N c1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c [nH]c5c4cccc5; CN(C)C\C=C\C(=O)Nc1ccc(cc 1)C(=O)Nc2cccc(Nc3cc(ncn3)c4c[nH]c5ccccc 45)c2; CN(C)CC=CC(=O)Nc1ccc(cc1)C(=O)Nc2 cccc(Nc3cc(ncn3)c4c[nH]c5ccccc45)c2 |
4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide |
| 30219 | N52 | 1 | C5 H11 O8 P | InChI=1S/C5H11O8P/c1-3(6) 5(9,4(7)8)2-13-14(10,11)1 2/h4,7-9H,2H2,1H3,(H2,10, 11,12)/t5-/m0/s1; IYNPDRWOJYWTNN-YFKPBYRVSA-N |
CC(=O)[C@@](O)(CO[P](O)(O)=O)C(O)O; O=P( O)(O)OCC(O)(C(O)O)C(C)=O; CC(=O)C(COP(=O )(O)O)(C(O)O)O; CC(=O)[C](O)(CO[P](O)(O) =O)C(O)O |
(2R)-2-(dihydroxymethyl)-2-hydroxy-3-oxobutyl dihydrogen phosphate |
| 30220 | N53 CHEMBL2064557 ZINC000084757268 |
1 | C33 H36 N6 O3 | InChI=1S/C33H36N6O3/c1-33 (2)29-28(22-39(33)32(41)3 8-18-17-37(3)21-25(38)19- 23-11-6-4-7-12-23)30(36-3 5-29)34-31(40)24-13-10-16 -27(20-24)42-26-14-8-5-9- 15-26/h4-16,20,25H,17-19, 21-22H2,1-3H3,(H2,34,35,3 6,40)/t25-/m0/s1; VGRHRLOVUZTBHT-VWLOTQADSA-N |
CN1CCN([CH](C1)Cc2ccccc2)C(=O)N3Cc4c([nH ]nc4C3(C)C)NC(=O)c5cccc(Oc6ccccc6)c5; CN 1CCN([C@H](C1)Cc2ccccc2)C(=O)N3Cc4c([nH] nc4C3(C)C)NC(=O)c5cccc(Oc6ccccc6)c5; CC1 (c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4) CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C; CC1 (c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4) CN1C(=O)N5CCN(CC5Cc6ccccc6)C)C; O=C(c2cc cc(Oc1ccccc1)c2)Nc3c6c(nn3)C(N(C(=O)N5C( Cc4ccccc4)CN(C)CC5)C6)(C)C |
N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide |
| 30221 | N55 | 1 | C18 H15 Cl N2 O | InChI=1S/C18H15ClN2O/c1-2 -17(21-10-9-20-12-21)14-5 -3-13(4-6-14)15-7-8-18(22 )16(19)11-15/h2-12,17,22H ,1H2/t17-/m1/s1; BOCKNSHTLMSFKF-QGZVFWFLSA-N |
C=CC(c1ccc(cc1)c2ccc(c(c2)Cl)O)n3ccnc3; Oc1ccc(cc1Cl)c2ccc(cc2)[CH](C=C)n3ccnc3; Oc1ccc(cc1Cl)c2ccc(cc2)[C@@H](C=C)n3ccn c3; C=C[C@H](c1ccc(cc1)c2ccc(c(c2)Cl)O)n 3ccnc3 |
2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol |
| 30222 | N56 CHEMBL3953659 ZINC000584905777 |
1 | C18 H18 Cl3 N5 | InChI=1S/C18H18Cl3N5/c19- 12-6-11(7-13(20)8-12)9-22 -14-2-1-5-26(10-14)18-23- 15-3-4-16(21)24-17(15)25- 18/h3-4,6-8,14,22H,1-2,5, 9-10H2,(H,23,24,25)/t14-/ m0/s1; ALKJREGOUJGYEK-AWEZNQCLSA-N |
c1cc(nc2c1[nH]c(n2)N3CCC[C@@H](C3)NCc4cc (cc(c4)Cl)Cl)Cl; Clc1cc(Cl)cc(c1)CNC2CCC N(C2)c3nc4c(n3)nc(cc4)Cl; Clc1cc(Cl)cc(C N[C@H]2CCCN(C2)c3[nH]c4ccc(Cl)nc4n3)c1; c1cc(nc2c1[nH]c(n2)N3CCCC(C3)NCc4cc(cc(c 4)Cl)Cl)Cl; Clc1cc(Cl)cc(CN[CH]2CCCN(C2) c3[nH]c4ccc(Cl)nc4n3)c1 |
(3S)-1-(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-N-[(3,5-dichlorophenyl)methyl]piperidin-3-amine |
| 30223 | N57 | 2 | C24 H49 N O8 | InChI=1S/C24H49NO8/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-18(27)20(28)17(25)16-3 2-24-23(31)22(30)21(29)19 (15-26)33-24/h17-24,26-31 H,2-16,25H2,1H3/t17-,18+, 19+,20-,21-,22-,23+,24-/m 0/s1; CBKONJDETAETLR-MKQNOXKVSA-N |
CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](N)CO[CH ]1O[CH](CO)[CH](O)[CH](O)[CH]1O; CCCCCCC CCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO[C@H ]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O; CCC CCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O )N)O)O; CCCCCCCCCCCCCC[C@H]([C@H]([C@H]( CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO) O)O)O)N)O)O; CCCCCCCCCCCCCCC(C(O)C(COC1O C(CO)C(O)C(C1O)O)N)O |
(2S,3S,4R)-2-amino-3,4-dihydroxyoctadecyl alpha-D-galactopyranoside |
| 30224 | N58 CHEMBL41723 ZINC000013442545 |
1 | C20 H23 N5 O S | InChI=1S/C20H23N5OS/c1-20 (2,3)17-13-18(25(4)24-17) 23-19(26)22-14-5-7-15(8-6 -14)27-16-9-11-21-12-10-1 6/h5-13H,1-4H3,(H2,22,23, 26); FDHKHZIFBOZGKU-UHFFFAOYSA-N |
O=C(Nc1cc(nn1C)C(C)(C)C)Nc3ccc(Sc2ccncc2 )cc3; Cn1nc(cc1NC(=O)Nc2ccc(Sc3ccncc3)cc 2)C(C)(C)C; CC(C)(C)c1cc(n(n1)C)NC(=O)Nc 2ccc(cc2)Sc3ccncc3 |
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-ylsulfanyl)phenyl]urea |
| 30225 | N59 ZINC000032961714 |
1 | C23 H21 Cl F N3 O4 S | InChI=1S/C23H21ClFN3O4S/c 24-17-3-1-5-19(14-17)27-9 -11-28(12-10-27)22-8-7-16 (23(29)30)13-21(22)26-33( 31,32)20-6-2-4-18(25)15-2 0/h1-8,13-15,26H,9-12H2,( H,29,30); FMGVTNRFSIQSCI-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)N2CCN(CC2)c3ccc(cc3NS(=O)( =O)c4cccc(c4)F)C(=O)O; OC(=O)c1ccc(N2CCN (CC2)c3cccc(Cl)c3)c(N[S](=O)(=O)c4cccc(F )c4)c1 |
4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorophenyl)sulfonylamino]benzoic acid |
| 30226 | N5A CHEMBL129903 ZINC000012405551 |
3 | C12 H17 N7 O4 | InChI=1S/C12H17N7O4/c13-1 -2-15-11(22)8-6(20)7(21)1 2(23-8)19-4-18-5-9(14)16- 3-17-10(5)19/h3-4,6-8,12, 20-21H,1-2,13H2,(H,15,22) (H2,14,16,17)/t6-,7+,8-,1 2+/m0/s1; XZUQLQNOMFGRFJ-FLNNQWSLSA-N |
NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n 2cnc3c(N)ncnc23; O=C(NCCN)C3OC(n2cnc1c(n cnc12)N)C(O)C3O; c1nc(c2c(n1)n(cn2)[C@H] 3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N; NCCNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc 3c(N)ncnc23; c1nc(c2c(n1)n(cn2)C3C(C(C(O 3)C(=O)NCCN)O)O)N |
5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE; (2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE |
| 30227 | N5B CHEMBL324942 DB02647 |
1 | C13 H13 N3 O | InChI=1S/C13H13N3O/c17-13 (10-4-2-1-3-5-10)14-12-8- 11(15-16-12)9-6-7-9/h1-5, 8-9H,6-7H2,(H2,14,15,16,1 7); LUCORKWTQSQFFU-UHFFFAOYSA-N |
O=C(Nc1cc(nn1)C2CC2)c3ccccc3; c1ccc(cc1) C(=O)Nc2cc(n[nH]2)C3CC3; O=C(Nc1[nH]nc(c 1)C2CC2)c3ccccc3 |
N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE |
| 30228 | N5C CHEMBL609725 ZINC000044220689 |
1 | C9 H15 N4 O16 P3 | InChI=1S/C9H15N4O16P3/c10 -7-3(13(17)18)1-12(9(16)1 1-7)8-6(15)5(14)4(27-8)2- 26-31(22,23)29-32(24,25)2 8-30(19,20)21/h1,4-6,8,14 -15H,2H2,(H,22,23)(H,24,2 5)(H2,10,11,16)(H2,19,20, 21)/t4-,5-,6-,8-/m1/s1; FDSJHYVWUMETJX-UAKXSSHOSA-N |
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O )N=C(N)C([N+]([O-])=O)=C1)C(O)C2O; NC1=N C(=O)N(C=C1[N+]([O-])=O)[C@@H]2O[C@H](CO [P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@ @H](O)[C@H]2O; C1=C(C(=NC(=O)N1[C@H]2[C@ @H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@]( =O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[O-]; NC1 =NC(=O)N(C=C1[N+]([O-])=O)[CH]2O[CH](CO[ P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O) [CH]2O; C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(= O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)[N+](=O)[ O-] |
5-nitrocytidine 5'-(tetrahydrogen triphosphate) |
| 30229 | N5D ZINC000056342610 |
1 | C13 H16 N6 O3 | InChI=1S/C13H16N6O3/c1-8- 4-11(18-22-8)17-13(21)16- 10-5-14-19(6-10)7-12(20)1 5-9-2-3-9/h4-6,9H,2-3,7H2 ,1H3,(H,15,20)(H2,16,17,1 8,21); FKXAIMDAHQONDI-UHFFFAOYSA-N |
Cc1cc(no1)NC(=O)Nc2cnn(c2)CC(=O)NC3CC3; N(c1cn(nc1)CC(NC2CC2)=O)C(Nc3cc(C)on3)=O ; Cc1onc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 |
N-cyclopropyl-2-(4-{[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}-1H-pyrazol-1-yl)acetamide |
| 30230 | N5F ZINC000058650927 |
2 | C14 H21 N2 O9 P | InChI=1S/C14H21N2O9P/c1-8 -13(19)10(9(5-15-8)7-25-2 6(22,23)24)6-16-11(14(20) 21)3-2-4-12(17)18/h5,11,1 6,19H,2-4,6-7H2,1H3,(H,17 ,18)(H,20,21)(H2,22,23,24 )/t11-/m0/s1; VAICOQQXLDOKQG-NSHDSACASA-N |
O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC (=O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H] (CCCC(=O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O )(O)O)CNC(CCCC(=O)O)C(=O)O)O; Cc1ncc(CO[ P](O)(O)=O)c(CN[C@@H](CCCC(O)=O)C(O)=O)c 1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCC(O )=O)C(O)=O)c1O |
(2S)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]hexanedioic acid |
| 30231 | N5G | 1 | C20 H38 N7 O10 P | InChI=1S/C20H38N7O10P/c21 -20-25-16-15(18(31)26-20) 27(9-37-38(34,35)36)12(8- 23-16)7-22-11-3-1-10(2-4- 11)17(30)24-13(19(32)33)5 -6-14(28)29/h10-13,15-16, 18,20,22-23,25-26,31H,1-9 ,21H2,(H,24,30)(H,28,29)( H,32,33)(H2,34,35,36)/t10 -,11-,12-,13-,15-,16-,18+ ,20+/m0/s1; YEQBTMZGNSUQID-NLSVEUOSSA-N |
C1CC(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC [C@H]2CN[C@@H]3[C@H]([N@@]2COP(=O)(O)O)[ C@H](N[C@@H](N3)N)O; O=C(O)C(NC(=O)C3CCC (NCC1N(C2C(NC1)NC(NC2O)N)COP(=O)(O)O)CC3 )CCC(=O)O; C1CC(CCC1C(=O)NC(CCC(=O)O)C(= O)O)NCC2CNC3C(N2COP(=O)(O)O)C(NC(N3)N)O; N[CH]1N[CH](O)[CH]2[CH](NC[CH](CN[CH]3C C[CH](CC3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2C O[P](O)(O)=O)N1; N[C@H]1N[C@H](O)[C@@H]2 [C@@H](NC[C@H](CN[C@@H]3CC[C@H](CC3)C(=O )N[C@@H](CCC(O)=O)C(O)=O)N2CO[P](O)(O)=O )N1 |
N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid |
| 30232 | N5H | 8 | C30 H48 N2 O7 | InChI=1S/C30H48N2O7/c1-20 (14-22(3)15-23(4)17-28(35 )36)12-10-8-7-9-11-13-21( 2)16-26(33)18-27(34)19-32 -29(37)24(5)25(6)39-30(31 )38/h7-9,11,17,21-22,24-2 5,27,34H,1,10,12-16,18-19 H2,2-6H3,(H2,31,38)(H,32, 37)(H,35,36)/b8-7+,11-9+, 23-17+/t21-,22+,24+,25+,2 7+/m0/s1; GENAAYFYLGYPIQ-YPMJEBJESA-N |
C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)= O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC( N)=O; C[C@@H](C/C=C/C=C/CCC(=C)C[C@@H](C )C\C(C)=C\C(O)=O)CC(=O)C[C@@H](O)CNC(=O) [C@H](C)[C@@H](C)OC(N)=O; C[C@@H](C/C=C/ C=C/CCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC (=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O )N)O; CC(CC=CC=CCCC(=C)CC(C)CC(=CC(=O)O) C)CC(=O)CC(CNC(=O)C(C)C(C)OC(=O)N)O |
(2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid |
| 30233 | N5I DB08245 ZINC000053683036 |
0 | C13 H15 N2 O8 P | InChI=1S/C13H15N2O8P/c16- 11-6-13(23-12(11)7-22-24( 19,20)21)14-4-3-8-5-9(15( 17)18)1-2-10(8)14/h1-5,11 -13,16H,6-7H2,(H2,19,20,2 1)/t11-,12+,13+/m0/s1; FQCJFJRLZCIFHB-YNEHKIRRSA-N |
c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)O)O)cc1[N +](=O)[O-]; O[C@H]1C[C@@H](O[C@@H]1CO[P] (O)(O)=O)n2ccc3cc(ccc23)[N+]([O-])=O; [O -][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3)COP (=O)(O)O; c1cc2c(ccn2[C@H]3C[C@@H]([C@H] (O3)COP(=O)(O)O)O)cc1[N+](=O)[O-]; O[CH] 1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc3cc(ccc2 3)[N+]([O-])=O |
1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE; 5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-MONOPHOSPHATE |
| 30234 | N5J CHEMBL3770256 ZINC000020981109 |
5 | C7 H5 N3 O | InChI=1S/C7H5N3O/c11-7-5- 1-2-8-3-6(5)9-4-10-7/h1-4 H,(H,9,10,11); QMOPAFMMLWUTKI-UHFFFAOYSA-N |
c1cncc2c1C(=O)NC=N2; O=C1NC=Nc2cnccc12 | 3H-pyrido[3,4-d]pyrimidin-4-one |
| 30235 | N5K CHEMBL4435508 |
2 | C23 H19 Cl F2 N8 O5 S | InChI=1S/C23H19ClF2N8O5S/ c1-37-22-33-20(27)32-21(3 4-22)31-15-10-11(40(28,35 )36)7-8-14(15)30-17(18-13 (24)5-3-9-29-18)12-4-2-6- 16-19(12)39-23(25,26)38-1 6/h2-10,17,30H,1H3,(H2,28 ,35,36)(H3,27,31,32,33,34 )/t17-/m0/s1; BAQOPDGRUNKWLM-KRWDZBQOSA-N |
COc1nc(N)nc(Nc2cc(ccc2N[CH](c3cccc4OC(F) (F)Oc34)c5ncccc5Cl)[S](N)(=O)=O)n1; COc1 nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O 4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N; COc1nc (N)nc(Nc2cc(ccc2N[C@@H](c3cccc4OC(F)(F)O c34)c5ncccc5Cl)[S](N)(=O)=O)n1; COc1nc(n c(n1)Nc2cc(ccc2NC(c3cccc4c3OC(O4)(F)F)c5 c(cccn5)Cl)S(=O)(=O)N)N |
3-[(4-azanyl-6-methoxy-1,3,5-triazin-2-yl)amino]-4-[[(~{S})-[2,2-bis(fluoranyl)-1,3-benzodioxol-4-yl]-(3-chloranylpyridin-2-yl)methyl]amino]benzenesulfonamide |
| 30236 | N5L | 1 | C14 H14 Cl N3 O | InChI=1S/C14H14ClN3O/c1-9 -12(16)7-17-8-13(9)18-14( 19)6-10-3-2-4-11(15)5-10/ h2-5,7-8H,6,16H2,1H3,(H,1 8,19); YFDTZFVQPPSTPK-UHFFFAOYSA-N |
Cc1c(N)cncc1NC(=O)Cc2cccc(Cl)c2; Cc1c(cn cc1NC(=O)Cc2cccc(c2)Cl)N; O=C(Nc1cncc(N) c1C)Cc1cccc(Cl)c1 |
N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide |
| 30237 | N5M ZINC000058650618 |
0 | C9 H13 N4 O10 P | InChI=1S/C9H13N4O10P/c10- 7-3(13(17)18)1-12(9(16)11 -7)8-6(15)5(14)4(23-8)2-2 2-24(19,20)21/h1,4-6,8,14 -15H,2H2,(H2,10,11,16)(H2 ,19,20,21)/t4-,5-,6-,8-/m 1/s1; QPCLJXMRTPOKPG-UAKXSSHOSA-N |
[O-][N+](=O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C 2O)COP(=O)(O)O)N; NC1=NC(=O)N(C=C1[N+]([ O-])=O)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[ CH]2O; C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@ H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O -]; C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O )O)O)O)N)[N+](=O)[O-]; NC1=NC(=O)N(C=C1[ N+]([O-])=O)[C@@H]2O[C@H](CO[P](O)(O)=O) [C@@H](O)[C@H]2O |
5-nitrocytidine 5'-(dihydrogen phosphate) |
| 30238 | N5N CHEMBL325166 |
1 | C26 H34 N6 O6 S | InChI=1S/C26H34N6O6S/c27- 26(28)31-11-3-4-17(15-31) 14-29-23(33)13-22(25(36)3 2(16-24(34)35)20-8-9-20)3 0-39(37,38)21-10-7-18-5-1 -2-6-19(18)12-21/h1-2,5-7 ,10,12,17,20,22,30H,3-4,8 -9,11,13-16H2,(H3,27,28)( H,29,33)(H,34,35)/t17-,22 -/m0/s1; BYDKEYCXCIVOOV-JTSKRJEESA-N |
NC(=N)N1CCC[CH](CNC(=O)C[CH](N[S](=O)(=O )c2ccc3ccccc3c2)C(=O)N(CC(O)=O)C4CC4)C1; NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](N[S](=O )(=O)c2ccc3ccccc3c2)C(=O)N(CC(O)=O)C4CC4 )C1; [H]/N=C(/N)\N1CCC[C@H](C1)CNC(=O)C[ C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3c cc4ccccc4c3; c1ccc2cc(ccc2c1)S(=O)(=O)NC (CC(=O)NCC3CCCN(C3)C(=N)N)C(=O)N(CC(=O)O )C4CC4; O=C(O)CN(C(=O)C(NS(=O)(=O)c2cc1c cccc1cc2)CC(=O)NCC3CCCN(C(=[N@H])N)C3)C4 CC4 |
2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid; NAPSAGATRAN; Ro-46-6240 |
| 30239 | N5O CHEMBL1234591 |
4 | C12 H16 N6 O5 | InChI=1S/C12H16N6O5/c13-9 -5-10(16-3-15-9)18(4-17-5 )12-7(21)6(20)8(23-12)11( 22)14-1-2-19/h3-4,6-8,12, 19-21H,1-2H2,(H,14,22)(H2 ,13,15,16)/t6-,7+,8-,12+/ m0/s1; YLPQAZPIFSHMAY-FLNNQWSLSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C(=O)NCCO)O )O)N; O=C(NCCO)C3OC(n2cnc1c(ncnc12)N)C(O )C3O; Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O) [CH]3O)C(=O)NCCO; Nc1ncnc2n(cnc12)[C@@H] 3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCCO; c1n c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H] (O3)C(=O)NCCO)O)O)N |
5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE; (2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-N-(2-HYDROXYETHYL)TETRAHYDROFURAN-2-CARBOXAMIDE |
| 30240 | N5P ZINC000059142887 |
6 | C13 H17 N2 O14 P3 | InChI=1S/C13H17N2O14P3/c1 6-11-6-13(14-4-3-8-5-9(15 (17)18)1-2-10(8)14)27-12( 11)7-26-31(22,23)29-32(24 ,25)28-30(19,20)21/h1-5,1 1-13,16H,6-7H2,(H,22,23)( H,24,25)(H2,19,20,21)/t11 -,12+,13+/m0/s1; JJJBDAFRCKSXDR-YNEHKIRRSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O )O[P](O)(O)=O)n2ccc3cc(ccc23)[N+]([O-])= O; c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O) (O)OP(=O)(O)O)O)cc1[N+](=O)[O-]; O[C@H]1 C[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(=O)O [P](O)(O)=O)n2ccc3cc(ccc23)[N+]([O-])=O; [O-][N+](=O)c2cc1ccn(c1cc2)C3OC(C(O)C3) COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE; 5-NITRO-1-INDOLYL-2'-DEOXYRIBOSIDE-5'-TRIPHOSPHATE |
| 30241 | N5Q CHEMBL4520531 ZINC000004711783 |
4 | C20 H14 N2 O3 S | InChI=1S/C20H14N2O3S/c23- 18-10-15(7-8-16(18)19(24) 25)21-20-22-17(11-26-20)1 4-6-5-12-3-1-2-4-13(12)9- 14/h1-11,23H,(H,21,22)(H, 24,25); HUECFCSRZKSRJF-UHFFFAOYSA-N |
c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C (=O)O; OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc 4c3)cc1O |
4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid |
| 30242 | N5R | 2 | C16 H12 Cl N O3 S | InChI=1S/C16H12ClNO3S/c17 -12-7-9-13(10-8-12)18-14- 5-1-3-11-4-2-6-15(16(11)1 4)22(19,20)21/h1-10,18H,( H,19,20,21); OAMDGZUFHLTUKV-UHFFFAOYSA-N |
c1cc2cccc(c2c(c1)Nc3ccc(cc3)Cl)S(=O)(=O) O; O[S](=O)(=O)c1cccc2cccc(Nc3ccc(Cl)cc3 )c12; Clc1ccc(Nc2cccc3cccc(c23)S(=O)(=O) O)cc1 |
8-(4-chloroanilino)naphthalene-1-sulfonic acid |
| 30243 | N5S ZINC000042758304 |
1 | C14 H16 F3 N3 O4 | InChI=1S/C14H16F3N3O4/c1- 8-3-4-10(23-8)13(22,14(15 ,16)17)5-6-18-12(21)19-11 -7-9(2)24-20-11/h3-4,7,22 H,5-6H2,1-2H3,(H2,18,19,2 0,21)/t13-/m0/s1; SFFCNDTYNHNJBV-ZDUSSCGKSA-N |
Cc1ccc(o1)[C@@](CCNC(=O)Nc2cc(on2)C)(C(F )(F)F)O; Cc1ccc(o1)C(CCNC(=O)Nc2cc(on2)C )(C(F)(F)F)O; Cc1onc(NC(=O)NCC[C](O)(c2o c(C)cc2)C(F)(F)F)c1; Cc1onc(NC(=O)NCC[C@ ](O)(c2oc(C)cc2)C(F)(F)F)c1; N(C(NCCC(c1 oc(C)cc1)(O)C(F)(F)F)=O)c2cc(C)on2 |
N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea |
| 30244 | N5T CHEMBL380955 DB08246 ZINC000028572638 |
2 | C19 H18 F2 N2 O | InChI=1S/C19H18F2N2O/c1-2 2(2)19(24)23-12-14(16-11- 15(20)8-9-17(16)21)10-18( 23)13-6-4-3-5-7-13/h3-11, 18H,12H2,1-2H3/t18-/m0/s1; WFFMEXQHWXEKBV-SFHVURJKSA-N |
CN(C)C(=O)N1CC(=CC1c2ccccc2)c3cc(ccc3F)F ; CN(C)C(=O)N1CC(=C[CH]1c2ccccc2)c3cc(F) ccc3F; O=C(N(C)C)N2CC(=CC2c1ccccc1)c3cc( F)ccc3F; CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2 )c3cc(F)ccc3F; CN(C)C(=O)N1CC(=C[C@H]1c2 ccccc2)c3cc(ccc3F)F |
(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE |
| 30245 | N5U | 1 | C12 H19 N3 O | InChI=1S/C12H19N3O/c1-3-1 2(16)15-7-5-4-6-10(15)11- 8-13-9-14(11)2/h8-10H,3-7 H2,1-2H3/t10-/m1/s1; ZRIHLDNGAGNVRX-SNVBAGLBSA-N |
CCC(=O)N1CCCCC1c2cncn2C; CCC(=O)N1CCCC[C @@H]1c2cncn2C; CCC(=O)N1CCCC[CH]1c2cncn2 C |
1-[(2~{R})-2-(3-methylimidazol-4-yl)piperidin-1-yl]propan-1-one |
| 30246 | N5V CHEMBL4074241 ZINC000003265765 |
1 | C6 H9 N3 O S | InChI=1S/C6H9N3OS/c1-2-7- 5(10)9-6-8-3-4-11-6/h3-4H ,2H2,1H3,(H2,7,8,9,10); QJLXNWDDALWJDF-UHFFFAOYSA-N |
CCNC(=O)Nc1nccs1; CCNC(=O)Nc1sccn1; N(C( NCC)=O)c1nccs1 |
N-ethyl-N'-1,3-thiazol-2-ylurea |
| 30247 | N5W CHEMBL504098 ZINC000040829165 |
2 | C17 H13 F3 N2 | InChI=1S/C17H13F3N2/c18-1 7(19,20)16-7-5-15(6-8-16) 14-3-1-13(2-4-14)11-22-10 -9-21-12-22/h1-10,12H,11H 2; ZGVRGKQQDLAUKP-UHFFFAOYSA-N |
FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2; c1 cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F |
1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole |
| 30248 | N5X ZINC000032946661 |
1 | C26 H26 Cl N3 O3 | InChI=1S/C26H26ClN3O3/c1- 17-3-4-18(2)24(15-17)30-1 3-11-29(12-14-30)23-10-7- 20(26(32)33)16-22(23)28-2 5(31)19-5-8-21(27)9-6-19/ h3-10,15-16H,11-14H2,1-2H 3,(H,28,31)(H,32,33); BQXRGKXBCYCKLD-UHFFFAOYSA-N |
Cc1ccc(C)c(c1)N2CCN(CC2)c3ccc(cc3NC(=O)c 4ccc(Cl)cc4)C(O)=O; Cc1ccc(c(c1)N2CCN(CC 2)c3ccc(cc3NC(=O)c4ccc(cc4)Cl)C(=O)O)C |
3-[(4-chlorophenyl)carbonylamino]-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid |
| 30249 | N5Y | 4 | C19 H18 N4 O3 | InChI=1S/C19H18N4O3/c1-22 (18(25)14-10-6-3-7-11-14) 15-16(20)23(19(26)21-17(1 5)24)12-13-8-4-2-5-9-13/h 2-11H,12,20H2,1H3,(H,21,2 4,26); SVEXWTOZCLVIEL-UHFFFAOYSA-N |
CN(C(=O)c1ccccc1)C2=C(N)N(Cc3ccccc3)C(=O )NC2=O; O=C(c1ccccc1)N(C2=C(N)N(C(=O)NC2 =O)Cc3ccccc3)C; CN(C1=C(N(C(=O)NC1=O)Cc2 ccccc2)N)C(=O)c3ccccc3 |
N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide |
| 30250 | N5Z | 1 | C18 H15 F N2 | InChI=1S/C18H15FN2/c19-18 -9-7-17(8-10-18)16-5-3-15 (4-6-16)2-1-12-21-13-11-2 0-14-21/h1-11,13-14H,12H2 /b2-1+; RYROXALRVYKQQD-OWOJBTEDSA-N |
Fc1ccc(cc1)c2ccc(\C=C\Cn3ccnc3)cc2; c1cc (ccc1/C=C/Cn2ccnc2)c3ccc(cc3)F; Fc1ccc(c c1)c2ccc(C=CCn3ccnc3)cc2; c1cc(ccc1C=CCn 2ccnc2)c3ccc(cc3)F |
1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole |
| 30251 | N60 | 1 | C22 H20 F5 N3 O3 | InChI=1S/C22H20F5N3O3/c1- 20(2,18(32)28-11-21(23,24 )22(25,26)27)19(33)30-16- 14-9-4-3-7-12(14)13-8-5-6 -10-15(13)29-17(16)31/h3- 10,16H,11H2,1-2H3,(H,28,3 2)(H,29,31)(H,30,33)/t16- /m0/s1; OJPLJFIFUQPSJR-INIZCTEOSA-N |
CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H] 1c2ccccc2-c3ccccc3NC1=O; CC(C)(C(=O)NCC( F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc 2c3ccccc13; CC(C)(C(=O)NCC(F)(F)C(F)(F)F )C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13; CC( C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)NC1c2cccc c2-c3ccccc3NC1=O |
2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide; RO4929097; KK8645V7LE |
| 30252 | N61 CHEMBL472620 ZINC000040407443 |
1 | C20 H23 N5 O2 | InChI=1S/C20H23N5O2/c1-20 (2,3)17-13-18(25(4)24-17) 23-19(26)22-14-5-7-15(8-6 -14)27-16-9-11-21-12-10-1 6/h5-13H,1-4H3,(H2,22,23, 26); MHSLDASSAFCCDO-UHFFFAOYSA-N |
Cn1nc(cc1NC(=O)Nc2ccc(Oc3ccncc3)cc2)C(C) (C)C; CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(c c2)Oc3ccncc3; O=C(Nc1cc(nn1C)C(C)(C)C)Nc 3ccc(Oc2ccncc2)cc3 |
1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea |
| 30253 | N62 | 1 | C28 H24 F3 N O8 | InChI=1S/C28H24F3NO8/c29- 18-6-5-16(14-3-1-2-4-15(1 4)18)27(36)32-10-21-24(34 )26(25(35)22(11-33)39-21) 38-12-13-9-17-20(40-28(13 )37)8-7-19(30)23(17)31/h1 -9,21-22,24-26,33-35H,10- 12H2,(H,32,36)/t21-,22+,2 4-,25-,26+/m0/s1; MUJDRCJRZOWOHC-ZEZYLZLISA-N |
c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([ C@H]([C@H]([C@H](O3)CO)O)OCC4=Cc5c(ccc(c 5F)F)OC4=O)O; OC[C@H]1O[C@@H](CNC(=O)c2c cc(F)c3ccccc23)[C@H](O)[C@@H](OCC4=Cc5c( F)c(F)ccc5OC4=O)[C@H]1O; c1ccc2c(c1)c(cc c2F)C(=O)NCC3C(C(C(C(O3)CO)O)OCC4=Cc5c(c cc(c5F)F)OC4=O)O; OC[CH]1O[CH](CNC(=O)c2 ccc(F)c3ccccc23)[CH](O)[CH](OCC4=Cc5c(F) c(F)ccc5OC4=O)[CH]1O |
~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide |
| 30254 | N63 CHEMBL5316145 |
1 | C22 H30 F3 N3 O8 S | InChI=1S/C22H30F3N3O8S/c1 -12(2)8-16(28-21(32)36-11 -13-4-3-5-15(9-13)22(23,2 4)25)19(30)27-17(20(31)37 (33,34)35)10-14-6-7-26-18 (14)29/h3-5,9,12,14,16-17 ,20,31H,6-8,10-11H2,1-2H3 ,(H,26,29)(H,27,30)(H,28, 32)(H,33,34,35)/t14-,16-, 17-,20?/m0/s1; SOKKEQHRVRNCKI-YQASGENESA-N |
FC(F)(F)c1cccc(c1)COC(=O)NC(CC(C)C)C(=O) NC(CC1CCNC1=O)C(O)S(=O)(=O)O; CC(C)C[C@H ](NC(=O)OCc1cccc(c1)C(F)(F)F)C(=O)N[C@@H ](C[C@@H]2CCNC2=O)[C@@H](O)[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1 =O)[C@H](O)S(=O)(=O)O)NC(=O)OCc2cccc(c2) C(F)(F)F; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O )S(=O)(=O)O)NC(=O)OCc2cccc(c2)C(F)(F)F; CC(C)C[CH](NC(=O)OCc1cccc(c1)C(F)(F)F)C( =O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)(=O) =O |
(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid |
| 30255 | N64 ZINC000048229664 |
1 | C18 H25 N5 O2 | InChI=1S/C18H25N5O2/c1-15 -14-17(21-25-15)20-18(24) 19-8-5-9-22-10-12-23(13-1 1-22)16-6-3-2-4-7-16/h2-4 ,6-7,14H,5,8-13H2,1H3,(H2 ,19,20,21,24); SQDJJFWPLCTNDD-UHFFFAOYSA-N |
N(CCCN2CCN(c1ccccc1)CC2)C(Nc3cc(C)on3)=O ; Cc1cc(no1)NC(=O)NCCCN2CCN(CC2)c3ccccc3 ; Cc1onc(NC(=O)NCCCN2CCN(CC2)c3ccccc3)c1 |
N-(5-methyl-1,2-oxazol-3-yl)-N'-[3-(4-phenylpiperazin-1-yl)propyl]urea |
| 30256 | N65 | 0 | C11 H22 N2 O2 | InChI=1S/C11H22N2O2/c1-3- 6-9(2)13-8-5-4-7-10(12)11 (14)15/h10H,3-8,12H2,1-2H 3,(H,14,15)/b13-9+/t10-/m 0/s1; OPJYFGJKMVLUDU-YWEFTTLKSA-N |
CCCC(C)=NCCCC[CH](N)C(O)=O; CCCC(C)=NCCC C[C@H](N)C(O)=O; CCCC(=NCCCCC(C(=O)O)N)C ; CCC/C(=N/CCCC[C@@H](C(=O)O)N)/C |
(2~{S})-2-azanyl-6-[(~{E})-pentan-2-ylideneamino]hexanal |
| 30257 | N66 CHEMBL4449557 |
1 | C33 H39 N7 O2 | InChI=1S/C33H39N7O2/c1-5- 22-8-7-9-23(6-2)30(22)36- 32(41)26-14-15-40-28(26)1 3-10-24-21-34-33(37-31(24 )40)35-27-12-11-25(20-29( 27)42-4)39-18-16-38(3)17- 19-39/h7-9,11-12,14-15,20 -21H,5-6,10,13,16-19H2,1- 4H3,(H,36,41)(H,34,35,37); HGEIUFJVGHMGRR-UHFFFAOYSA-N |
CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)N c5ccc(cc5OC)N6CCN(CC6)C)CC; CCc1cccc(CC) c1NC(=O)c2ccn3c2CCc4cnc(Nc5ccc(cc5OC)N6C CN(C)CC6)nc34 |
~{N}-(2,6-diethylphenyl)-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide |
| 30258 | N67 CHEMBL3456175 ZINC000048340294 |
1 | C11 H14 N4 O4 S2 | InChI=1S/C11H14N4O4S2/c1- 7-5-9(15-19-7)14-11(16)13 -6-8-3-4-10(20-8)21(17,18 )12-2/h3-5,12H,6H2,1-2H3, (H2,13,14,15,16); PHSRIBPDBMYXMN-UHFFFAOYSA-N |
N(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O ; Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC ; CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)c c1 |
N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide |
| 30259 | N68 | 0 | C6 H16 N O4 P | InChI=1S/C6H16NO4P/c7-5-3 -1-2-4-6-11-12(8,9)10/h1- 7H2,(H2,8,9,10); XYVLZAYJHCECPN-UHFFFAOYSA-N |
O=P(OCCCCCCN)(O)O; NCCCCCCO[P](O)(O)=O; C(CCCOP(=O)(O)O)CCN |
6-aminohexyl dihydrogen phosphate |
| 30260 | N69 CHEMBL1234593 DB08247 ZINC000016051612 |
1 | C15 H23 N5 O | InChI=1S/C15H23N5O/c1-9(2 )12-17-11-13(18-12)19-15( 16)20-14(11)21-8-10-6-4-3 -5-7-10/h9-10H,3-8H2,1-2H 3,(H3,16,17,18,19,20); JABXNQUXGJTKRO-UHFFFAOYSA-N |
CC(C)c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3; CC(C)c1[nH]c2nc(N)nc(OCC3CCCCC3)c2n1; n2 c(OCC1CCCCC1)c3nc(nc3nc2N)C(C)C |
6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE; INHIBITOR OF CDK2 |
| 30261 | N6A CHEMBL5083837 ZINC000095921415 |
4 | C18 H18 N4 O4 S | InChI=1S/C18H18N4O4S/c1-2 1(27(25,26)14-10-6-3-7-11 -14)15-16(19)22(18(24)20- 17(15)23)12-13-8-4-2-5-9- 13/h2-11H,12,19H2,1H3,(H, 20,23,24); NTXAKLDOOQBMCR-UHFFFAOYSA-N |
CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(= O)c3ccccc3; CN(C1=C(N)N(Cc2ccccc2)C(=O)N C1=O)[S](=O)(=O)c3ccccc3; O=S(=O)(c1cccc c1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C |
N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
| 30262 | N6B | 1 | C26 H22 F4 N4 O5 | InChI=1S/C26H22F4N4O5/c27 -16-6-5-15(13-3-1-2-4-14( 13)16)26(38)31-9-20-24(36 )23(25(37)21(11-35)39-20) 34-10-19(32-33-34)12-7-17 (28)22(30)18(29)8-12/h1-8 ,10,20-21,23-25,35-37H,9, 11H2,(H,31,38)/t20-,21+,2 3+,24-,25-/m0/s1; UVZZHSXMYYDTDY-LKWPAVRVSA-N |
c1ccc2c(c1)c(ccc2F)C(=O)NC[C@H]3[C@@H]([ C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cc(c (c(c5)F)F)F)O; OC[CH]1O[CH](CNC(=O)c2ccc (F)c3ccccc23)[CH](O)[CH]([CH]1O)n4cc(nn4 )c5cc(F)c(F)c(F)c5; c1ccc2c(c1)c(ccc2F)C (=O)NCC3C(C(C(C(O3)CO)O)n4cc(nn4)c5cc(c( c(c5)F)F)F)O; OC[C@H]1O[C@@H](CNC(=O)c2c cc(F)c3ccccc23)[C@H](O)[C@H]([C@H]1O)n4c c(nn4)c5cc(F)c(F)c(F)c5 |
4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide |
| 30263 | N6C CHEMBL1234594 ZINC000002031533 |
8 | C6 H13 N O2 | InChI=1S/C6H13NO2/c1-2-3- 4-5-6-7(8)9/h2-6H2,1H3; FEYJIFXFOHFGCC-UHFFFAOYSA-N |
[O-][N+](=O)CCCCCC; CCCCCC[N+](=O)[O-]; CCCCCC[N+]([O-])=O |
1-nitrohexane |
| 30264 | N6D ZINC000024741535 |
1 | C13 H15 N3 O3 | InChI=1S/C13H15N3O3/c1-9- 6-12(16-19-9)15-13(17)14- 11-5-3-4-10(7-11)8-18-2/h 3-7H,8H2,1-2H3,(H2,14,15, 16,17); YVOJGWYXMJROLU-UHFFFAOYSA-N |
COCc1cccc(NC(=O)Nc2cc(C)on2)c1; N(C(Nc1c ccc(COC)c1)=O)c2cc(C)on2; Cc1cc(no1)NC(= O)Nc2cccc(c2)COC |
N-[3-(methoxymethyl)phenyl]-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| 30265 | N6E CHEMBL1199042 ZINC000049774268 |
0 | C11 H18 N5 O13 P3 | InChI=1S/C11H18N5O13P3/c1 -12-9-6-10(14-3-13-9)16(4 -15-6)11-8(18)7(17)5(27-1 1)2-26-31(22,23)29-32(24, 25)28-30(19,20)21/h3-5,7- 8,11,17-18H,2H2,1H3,(H,22 ,23)(H,24,25)(H,12,13,14) (H2,19,20,21)/t5-,7-,8-,1 1-/m1/s1; LCQWKKZWHQFOAH-IOSLPCCCSA-N |
CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O) OP(=O)(O)OP(=O)(O)O)O)O; CNc1c2c(ncn1)n( cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O) (O)OP(=O)(O)OP(=O)(O)O)O)O; CNc1ncnc2n(c nc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O [P](O)(O)=O)[CH](O)[CH]3O; CNc1ncnc2n(cn c12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O )O[P](O)(O)=O)[C@@H](O)[C@H]3O |
N6-Methyladenosine 5'-triphosphate |
| 30266 | N6F | 1 | C16 H16 Cl N3 O2 | InChI=1S/C16H16ClN3O2/c1- 10(12-4-3-5-13(17)8-12)16 (22)20-15-9-18-7-6-14(15) 19-11(2)21/h3-10H,1-2H3,( H,20,22)(H,18,19,21)/t10- /m0/s1; YRFAWMIACMUIGK-JTQLQIEISA-N |
O=C(Nc1cnccc1NC(C)=O)C(C)c1cccc(Cl)c1; C [C@@H](c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O) C; CC(c1cccc(c1)Cl)C(=O)Nc2cnccc2NC(=O)C ; C[CH](C(=O)Nc1cnccc1NC(C)=O)c2cccc(Cl) c2; C[C@H](C(=O)Nc1cnccc1NC(C)=O)c2cccc( Cl)c2 |
(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide |
| 30267 | N6G CHEMBL1234595 |
0 | C10 H15 N6 O7 P | InChI=1S/C10H15N6O7P/c11- 7-4-8(15-10(12)14-7)16(2- 13-4)9-6(18)5(17)3(23-9)1 -22-24(19,20)21/h2-3,5-6, 9,17-18H,1H2,(H2,19,20,21 )(H4,11,12,14,15)/t3-,5-, 6-,9-/m1/s1; KQJMOJABMFAPCE-UUOKFMHZSA-N |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(O)O)O)O)N)N; Nc1nc(N)c2ncn([ CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2 n1; O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)N)N) C(O)C3O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(= O)(O)O)O)O)N)N; Nc1nc(N)c2ncn([C@@H]3O[C @H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O)c2n1 |
((2R,3S,4R,5S)-5-(2,6-DIAMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE |
| 30268 | N6H CHEMBL4740641 |
2 | C22 H24 Cl N3 O4 | InChI=1S/C22H24ClN3O4/c1- 22(2)13-26(7-8-29-22)20(2 7)15-10-17-19(18(11-15)28 -3)30-21(25-17)24-12-14-5 -4-6-16(23)9-14/h4-6,9-11 H,7-8,12-13H2,1-3H3,(H,24 ,25); UZHJACGATLINFM-UHFFFAOYSA-N |
COc1cc(cc2nc(NCc3cccc(Cl)c3)oc12)C(=O)N4 CCOC(C)(C)C4; CC1(CN(CCO1)C(=O)c2cc3c(c( c2)OC)oc(n3)NCc4cccc(c4)Cl)C |
[2-[(3-chlorophenyl)methylamino]-7-methoxy-1,3-benzoxazol-5-yl]-(2,2-dimethylmorpholin-4-yl)methanone |
| 30269 | N6I CHEMBL401930 ZINC000006718468 |
12 | C25 H26 Cl N5 O3 | InChI=1S/C25H26ClN5O3/c1- 15-11-18(31-7-9-34-10-8-3 1)13-20-23(15)30-24(29-20 )22-19(5-6-27-25(22)33)28 -14-21(32)16-3-2-4-17(26) 12-16/h2-6,11-13,21,32H,7 -10,14H2,1H3,(H,29,30)(H2 ,27,28,33)/t21-/m1/s1; ZWVZORIKUNOTCS-OAQYLSRUSA-N |
Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O)NCC(c4 cccc(c4)Cl)O)N5CCOCC5; Clc1cccc(c1)C(O)C NC=1C=CNC(=O)C=1c1nc2c(cc(cc2C)N2CCOCC2) [NH]1; Cc1cc(cc2c1nc([nH]2)C3=C(C=CNC3=O )NC[C@H](c4cccc(c4)Cl)O)N5CCOCC5; Cc1cc( cc2[nH]c(nc12)C3=C(NC[CH](O)c4cccc(Cl)c4 )C=CNC3=O)N5CCOCC5; Cc1cc(cc2[nH]c(nc12) C3=C(NC[C@@H](O)c4cccc(Cl)c4)C=CNC3=O)N5 CCOCC5 |
(3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one |
| 30270 | N6J ZINC000058202764 |
1 | C16 H15 N7 O2 | InChI=1S/C16H15N7O2/c1-11 -6-14(21-25-11)20-16(24)1 9-12-7-17-23(9-12)10-13-8 -22-5-3-2-4-15(22)18-13/h 2-9H,10H2,1H3,(H2,19,20,2 1,24); BKMWCTDITJZRHD-UHFFFAOYSA-N |
Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3cn4ccccc4n3 ; N(c3cnn(Cc2cn1ccccc1n2)c3)C(Nc4cc(C)on 4)=O; Cc1onc(NC(=O)Nc2cnn(Cc3cn4ccccc4n3 )c2)c1 |
N-{1-[(imidazo[1,2-a]pyridin-2-yl)methyl]-1H-pyrazol-4-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| 30271 | N6K | 1 | C10 H13 N3 O2 S | InChI=1S/C10H13N3O2S/c1-2 -16(14,15)12-6-8-3-4-10-9 (5-8)7-11-13-10/h3-5,7,12 H,2,6H2,1H3,(H,11,13); DECVSTKTZAVTKM-UHFFFAOYSA-N |
CCS(=O)(=O)NCc1ccc2c(c1)cn[nH]2; CC[S](= O)(=O)NCc1ccc2[nH]ncc2c1 |
~{N}-(1~{H}-indazol-5-ylmethyl)ethanesulfonamide; N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor) |
| 30272 | N6L CHEMBL2152433 ZINC000095577194 |
1 | C21 H23 Cl2 N3 O2 | InChI=1S/C21H23Cl2N3O2/c2 2-16-8-9-17(23)15(12-16)1 3-25-20(27)19-7-4-10-26(1 9)21(28)18(24)11-14-5-2-1 -3-6-14/h1-3,5-6,8-9,12,1 8-19H,4,7,10-11,13,24H2,( H,25,27)/t18-,19+/m1/s1; XSOBNETYEYXSCD-MOPGFXCFSA-N |
c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCc3cc(ccc 3Cl)Cl)N; N[C@H](Cc1ccccc1)C(=O)N2CCC[C@ H]2C(=O)NCc3cc(Cl)ccc3Cl; O=C(NCc1cc(Cl) ccc1Cl)C3N(C(=O)C(N)Cc2ccccc2)CCC3; c1cc c(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc (ccc3Cl)Cl)N; N[CH](Cc1ccccc1)C(=O)N2CCC [CH]2C(=O)NCc3cc(Cl)ccc3Cl |
D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide |
| 30273 | N6M CHEMBL1738843 ZINC000000391197 |
4 | C6 H7 N5 | InChI=1S/C6H7N5/c1-7-5-4- 6(10-2-8-4)11-3-9-5/h2-3H ,1H3,(H2,7,8,9,10,11); CKOMXBHMKXXTNW-UHFFFAOYSA-N |
CNc1ncnc2[nH]cnc12; n2c1c(ncn1)c(nc2)NC; CNc1c2c([nH]cn2)ncn1 |
N-METHYL-9H-PURIN-6-AMINE; N6-METHYL ADENINE |
| 30274 | N6N CHEMBL1334768 ZINC000017946037 |
1 | C8 H6 Br N3 S | InChI=1S/C8H6BrN3S/c9-6-3 -1-2-5(4-6)7-10-8(13)12-1 1-7/h1-4H,(H2,10,11,12,13 ); ALETZOQAGIEADS-UHFFFAOYSA-N |
Brc1cccc(c1)C2=NNC(=S)N2; c1cc(cc(c1)Br) C2=NNC(=S)N2 |
3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione |
| 30275 | N6O | 2 | C19 H16 Cl F N4 O2 | InChI=1S/C19H16ClFN4O2/c2 0-12-5-3-4-11(8-12)16(9-1 7(22)26)24-19(27)14-10-23 -25-18(14)13-6-1-2-7-15(1 3)21/h1-8,10,16H,9H2,(H2, 22,26)(H,23,25)(H,24,27)/ t16-/m0/s1; IURDZXWYYGBBOU-INIZCTEOSA-N |
Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1 ccccc1F; c1ccc(c(c1)c2c(c[nH]n2)C(=O)NC( CC(=O)N)c3cccc(c3)Cl)F; c1ccc(c(c1)c2c(c [nH]n2)C(=O)N[C@@H](CC(=O)N)c3cccc(c3)Cl )F; NC(=O)C[CH](NC(=O)c1c[nH]nc1c2ccccc2 F)c3cccc(Cl)c3; NC(=O)C[C@H](NC(=O)c1c[n H]nc1c2ccccc2F)c3cccc(Cl)c3 |
(3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide |
| 30276 | N6P CHEMBL3331362 ZINC000098209210 |
4 | C20 H19 N4 O7 P | InChI=1S/C20H19N4O7P/c25- 17-14(8-30-32(27,28)29)31 -20(18(17)26)24-10-23-16- 15(21-9-22-19(16)24)13-6- 5-11-3-1-2-4-12(11)7-13/h 1-7,9-10,14,17-18,20,25-2 6H,8H2,(H2,27,28,29)/t14- ,17-,18-,20-/m1/s1; LQGRESLLVHYRLI-VXXKDZQQSA-N |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)( O)=O)n2cnc3c2ncnc3c4ccc5ccccc5c4; O=P(O) (O)OCC5OC(n2cnc1c(ncnc12)c4cc3ccccc3cc4) C(O)C5O; c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn 4)C5C(C(C(O5)COP(=O)(O)O)O)O; O[CH]1[CH] (O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c2ncnc 3c4ccc5ccccc5c4; c1ccc2cc(ccc2c1)c3c4c(n cn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)C OP(=O)(O)O)O)O |
6-(naphthalen-2-yl)-9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine; 6-Naphthylpurine riboside 5'-monophosphate |
| 30277 | N6Q | 11 | C10 H18 | InChI=1S/C10H18/c1-5-10(4 )8-6-7-9(2)3/h5,9H,1,4,6- 8H2,2-3H3; CIGQIEANONTNMS-UHFFFAOYSA-N |
CC(C)CCCC(=C)C=C | 7-methyl-3-methylidene-oct-1-ene |
| 30278 | N6R ZINC000058638785 |
1 | C19 H22 N5 O6 P | InChI=1S/C19H22N5O6P/c1-1 1(7-12-5-3-2-4-6-12)23-17 -14-18(21-9-20-17)24(10-2 2-14)19-15(25)16-13(29-19 )8-28-31(26,27)30-16/h2-6 ,9-11,13,15-16,19,25H,7-8 H2,1H3,(H,26,27)(H,20,21, 23)/t11-,13+,15-,16+,19-/ m1/s1; MKYZONTUKKUGCB-OCXLHJLWSA-N |
CC(Cc1ccccc1)Nc2c3c(ncn2)n(cn3)C4C(C5C(O 4)COP(=O)(O5)O)O; C[CH](Cc1ccccc1)Nc2ncn c3n(cnc23)[CH]4O[CH]5CO[P](O)(=O)O[CH]5[ CH]4O; C[C@H](Cc1ccccc1)Nc2ncnc3n(cnc23) [C@@H]4O[C@H]5CO[P@](O)(=O)O[C@@H]5[C@H] 4O; C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[ C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)( O5)O)O; O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccc cc1)c3nc2)C(O)C5O4)O |
(2R)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate; (2R,4aS,6R,7R,7aR)-6-(6-{[(1R)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
| 30279 | N6S ZINC000058660393 |
2 | C19 H22 N5 O6 P | InChI=1S/C19H22N5O6P/c1-1 1(7-12-5-3-2-4-6-12)23-17 -14-18(21-9-20-17)24(10-2 2-14)19-15(25)16-13(29-19 )8-28-31(26,27)30-16/h2-6 ,9-11,13,15-16,19,25H,7-8 H2,1H3,(H,26,27)(H,20,21, 23)/t11-,13-,15+,16-,19+/ m0/s1; MKYZONTUKKUGCB-IQAYWSRLSA-N |
CC(Cc1ccccc1)Nc2c3c(ncn2)n(cn3)C4C(C5C(O 4)COP(=O)(O5)O)O; C[CH](Cc1ccccc1)Nc2ncn c3n(cnc23)[CH]4O[CH]5CO[P](O)(=O)O[CH]5[ CH]4O; C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(c n3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@] (=O)(O5)O)O; C[C@@H](Cc1ccccc1)Nc2ncnc3n (cnc23)[C@@H]4O[C@H]5CO[P@@](O)(=O)O[C@@ H]5[C@H]4O; O=P4(OCC5OC(n2c3ncnc(NC(C)Cc 1ccccc1)c3nc2)C(O)C5O4)O |
(2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate; (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi nine-2,7-diol 2-oxide |
| 30280 | N6T ZINC000301054533 |
1 | C11 H20 N3 O12 P3 | InChI=1S/C11H20N3O12P3/c1 -6-3-14(11(17)12-10(6)16) 9-2-7(15)8(26-9)4-25-28(2 0,21)5-27(18,19)13-29(22, 23)24/h3,7-9,15H,2,4-5H2, 1H3,(H,20,21)(H,12,16,17) (H4,13,18,19,22,23,24)/t7 -,8+,9+/m0/s1; FTYKINXQGSFHAF-DJLDLDEBSA-N |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(CP(= O)(NP(=O)(O)O)O)O)O; O=P(O)(O)NP(=O)(O)C P(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O ; CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)( =O)C[P](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O ; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]( O2)COP(=O)(CP(=O)(NP(=O)(O)O)O)O)O; CC1= CN([CH]2C[CH](O)[CH](CO[P](O)(=O)C[P](O) (=O)N[P](O)(O)=O)O2)C(=O)NC1=O |
2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine |
| 30281 | N6U | 1 | C9 H11 N3 O2 S | InChI=1S/C9H11N3O2S/c1-2- 15(13,14)12-8-4-6-11-9-7( 8)3-5-10-9/h3-6H,2H2,1H3, (H2,10,11,12); KBQTUGASKMRCFK-UHFFFAOYSA-N |
CC[S](=O)(=O)Nc1ccnc2[nH]ccc12; CCS(=O)( =O)Nc1ccnc2c1cc[nH]2 |
~{N}-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)ethanesulfonamide |
| 30282 | N6V ZINC000058310059 |
1 | C19 H25 N5 O2 | InChI=1S/C19H25N5O2/c1-4- 23(5-2)10-11-24-9-8-15-13 -16(6-7-17(15)24)20-19(25 )21-18-12-14(3)26-22-18/h 6-9,12-13H,4-5,10-11H2,1- 3H3,(H2,20,21,22,25); ORYDIOADGVZPNI-UHFFFAOYSA-N |
CCN(CC)CCn1ccc2c1ccc(c2)NC(=O)Nc3cc(on3) C; CCN(CC)CCn1ccc2cc(NC(=O)Nc3cc(C)on3)c cc12; n1(CCN(CC)CC)ccc2c1ccc(c2)NC(Nc3cc (C)on3)=O |
N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| 30283 | N6W CHEMBL108 DB00564 ZINC000000004785 |
3 | C15 H12 N2 O | InChI=1S/C15H12N2O/c16-15 (18)17-13-7-3-1-5-11(13)9 -10-12-6-2-4-8-14(12)17/h 1-10H,(H2,16,18); FFGPTBGBLSHEPO-UHFFFAOYSA-N |
NC(=O)N1c2ccccc2C=Cc3ccccc13; c1ccc2c(c1 )C=Cc3ccccc3N2C(=O)N |
benzo[b][1]benzazepine-11-carboxamide |
| 30284 | N6X | 1 | C15 H14 N4 O | InChI=1S/C15H14N4O/c1-10- 13(17)8-18-9-14(10)19-15( 20)6-11-3-2-4-12(5-11)7-1 6/h2-5,8-9H,6,17H2,1H3,(H ,19,20); MDGSUONMRGWOAQ-UHFFFAOYSA-N |
Cc1c(cncc1NC(=O)Cc2cccc(c2)C#N)N; Cc1c(N )cncc1NC(=O)Cc2cccc(c2)C#N; O=C(Nc1cncc( N)c1C)Cc1cccc(C#N)c1 |
N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide |
| 30285 | N6Y CHEMBL1778131 ZINC000004271684 |
2 | C11 H10 N2 | InChI=1S/C11H10N2/c12-11- 5-1-3-9(7-11)10-4-2-6-13- 8-10/h1-8H,12H2; YTJQJGKMRLQBJP-UHFFFAOYSA-N |
Nc1cccc(c1)c2cccnc2; c1cc(cc(c1)N)c2cccn c2; c1cncc(c1)c2cc(N)ccc2 |
3-(pyridin-3-yl)aniline |
| 30286 | N6Z CHEMBL4468719 |
5 | C27 H29 F2 N5 O3 | InChI=1S/C27H29F2N5O3/c1- 4-23(35)34(3)9-10-37-25-2 4(31-14-32-26(25)30)20-12 -18(28)13-22(15(20)2)33-2 7(36)19-8-7-17(11-21(19)2 9)16-5-6-16/h7-8,11-14,16 H,4-6,9-10H2,1-3H3,(H,33, 36)(H2,30,31,32); CTBIYDHGUMTQNM-UHFFFAOYSA-N |
CCC(=O)N(C)CCOc1c(ncnc1N)c2cc(cc(c2C)NC( =O)c3ccc(cc3F)C4CC4)F; CCC(=O)N(C)CCOc1c (N)ncnc1c2cc(F)cc(NC(=O)c3ccc(cc3F)C4CC4 )c2C |
~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide |
| 30287 | N70 CHEMBL522599 ZINC000001607983 |
1 | C17 H16 N4 O2 | InChI=1S/C17H16N4O2/c1-11 -10-16(19-12-2-6-14(22)7- 3-12)21-17(18-11)20-13-4- 8-15(23)9-5-13/h2-10,22-2 3H,1H3,(H2,18,19,20,21); ZGISWAPMFGULSM-UHFFFAOYSA-N |
Cc1cc(Nc2ccc(O)cc2)nc(Nc3ccc(O)cc3)n1; C c1cc(nc(n1)Nc2ccc(cc2)O)Nc3ccc(cc3)O |
4-[[2-[(4-hydroxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]phenol |
| 30288 | N71 ZINC000056328503 |
1 | C13 H15 N3 O4 S | InChI=1S/C13H15N3O4S/c1-1 0-9-12(16-20-10)15-13(17) 14-7-8-21(18,19)11-5-3-2- 4-6-11/h2-6,9H,7-8H2,1H3, (H2,14,15,16,17); XVQVTCYUFZRWGM-UHFFFAOYSA-N |
Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2; Cc 1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1; N( CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O |
N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea |
| 30289 | N72 | 8 | C11 H19 N O9 | InChI=1S/C11H19NO9/c13-4- 7(15)10(19)9(18)6(14)3-12 -5(11(20)21)1-2-8(16)17/h 5,7,9-10,12-13,15,18-19H, 1-4H2,(H,16,17)(H,20,21)/ t5-,7+,9+,10-/m1/s1; PUFNBARRTADWAC-XWPZMVOTSA-N |
OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O )=O)C(O)=O; C(CC(=O)O)C(C(=O)O)NCC(=O)C( C(C(CO)O)O)O; C(CC(=O)O)[C@H](C(=O)O)NCC (=O)[C@@H]([C@@H]([C@H](CO)O)O)O; OC[C@H ](O)[C@@H](O)[C@@H](O)C(=O)CN[C@H](CCC(O )=O)C(O)=O |
(2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid |
| 30290 | N73 | 1 | C20 H24 N2 O5 S | InChI=1S/C20H24N2O5S/c1-1 4(2)19(20(23)21-24)22(27- 15(3)4)28(25,26)18-12-10- 17(11-13-18)16-8-6-5-7-9- 16/h5-15,19H,1-4H3/t19-/m 1/s1; JYURKDGMICGTJM-LJQANCHMSA-N |
CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1 ccc(cc1)c2ccccc2; CC(C)ON([C@H](C(C)C)C( =O)N=O)[S](=O)(=O)c1ccc(cc1)c2ccccc2; CC (C)ON([CH](C(C)C)C(=O)N=O)[S](=O)(=O)c1c cc(cc1)c2ccccc2; CC(C)C(C(=O)N=O)N(OC(C) C)S(=O)(=O)c1ccc(cc1)c2ccccc2 |
(2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide |
| 30291 | N74 ZINC000056343335 |
1 | C15 H15 N5 O2 | InChI=1S/C15H15N5O2/c1-11 -7-14(19-22-11)18-15(21)1 7-13-8-16-20(10-13)9-12-5 -3-2-4-6-12/h2-8,10H,9H2, 1H3,(H2,17,18,19,21); HPOHLKVNAQMNHB-UHFFFAOYSA-N |
Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3; Cc1 onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1; N(c2cn n(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O |
N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| 30292 | N75 CHEMBL2396719 ZINC000096272267 |
2 | C28 H20 Cl N O6 | InChI=1S/C28H20ClNO6/c29- 18-3-1-2-16(12-18)4-11-21 -22-13-23(28(33)34)24(31) 14-25(22)36-27(21)17-5-9- 20(10-6-17)35-15-26(32)30 -19-7-8-19/h1-3,5-6,9-10, 12-14,19,31H,7-8,15H2,(H, 30,32)(H,33,34); IIURSEJMCKFEQG-UHFFFAOYSA-N |
O=C(O)c5cc2c(oc(c2C#Cc1cccc(Cl)c1)c4ccc( OCC(=O)NC3CC3)cc4)cc5O; c1cc(cc(c1)Cl)C# Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5) O)C(=O)O; OC(=O)c1cc2c(oc(c3ccc(OCC(=O)N C4CC4)cc3)c2C#Cc5cccc(Cl)c5)cc1O |
3-[(3-chlorophenyl)ethynyl]-2-{4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl}-6-hydroxy-1-benzofuran-5-carboxylic acid |
| 30293 | N76 CHEMBL123368 DB08248 ZINC000020149014 |
2 | C18 H22 N6 O3 S | InChI=1S/C18H22N6O3S/c19- 28(25,26)14-8-4-7-13(9-14 )22-18-23-16-15(20-11-21- 16)17(24-18)27-10-12-5-2- 1-3-6-12/h4,7-9,11-12H,1- 3,5-6,10H2,(H2,19,25,26)( H2,20,21,22,23,24); BKDUVKJYBJDZQW-UHFFFAOYSA-N |
O=S(=O)(N)c1cccc(c1)Nc3nc2c(ncn2)c(n3)OC C4CCCCC4; c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c( c(n2)OCC4CCCCC4)nc[nH]3; N[S](=O)(=O)c1c ccc(Nc2nc3[nH]cnc3c(OCC4CCCCC4)n2)c1 |
3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE |
| 30294 | N77 ZINC000263620453 |
2 | C15 H11 F3 N4 O3 S | InChI=1S/C15H11F3N4O3S/c1 6-15(17,18)9-4-10(21-24)1 2-11(5-9)22(25)14(26-12)1 3(23)20-7-8-2-1-3-19-6-8/ h1-6,21,24H,7H2,(H,20,23); GENRUIYZXCGKPM-UHFFFAOYSA-N |
c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO) C(F)(F)F)[O-]; ONc1cc(cc2c1sc(C(=O)NCc3c ccnc3)[n+]2[O-])C(F)(F)F; FC(F)(F)c3cc1c (sc([n+]1[O-])C(=O)NCc2cccnc2)c(c3)NO |
7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide |
| 30295 | N78 | 2 | C32 H28 N6 O5 | InChI=1S/C32H28N6O5/c1-2- 27(40)37-25-15-20(9-12-26 (25)43-14-13-39)24-16-33- 29-28(24)30(35-18-34-29)3 6-21-10-7-19(8-11-21)17-3 8-31(41)22-5-3-4-6-23(22) 32(38)42/h3-12,15-16,18,3 9H,2,13-14,17H2,1H3,(H,37 ,40)(H2,33,34,35,36); ZTEPVLSNULOZJI-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3c2c(ncn3) Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O; CCC(=O) Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4ccc(CN5C (=O)c6ccccc6C5=O)cc4)c23 |
~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide |
| 30296 | N79 ZINC000263621201 |
0 | C17 H18 B N5 O8 P | InChI=1S/C17H18BN5O8P/c19 -15-12-16(21-7-20-15)23(8 -22-12)17-14-13(11(29-17) 6-28-32(24,25)26)30-18(31 -14)10-4-2-1-3-9(10)5-27- 18/h1-4,7-8,11,13-14,17H, 5-6H2,(H2,19,20,21)(H2,24 ,25,26)/q-1/t11-,13-,14-, 17-,18+/m1/s1; WVTCQRMVQMUXKS-LBTDBDNISA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O )[CH]4O[B-]5(OCc6ccccc56)O[CH]34; Nc1ncn c2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C @H]4O[B-]5(OCc6ccccc56)O[C@@H]34; [B-]12 (c3ccccc3CO1)O[C@@H]4[C@H](O[C@H]([C@@H] 4O2)n5cnc6c5ncnc6N)COP(=O)(O)O; [B-]12(c 3ccccc3CO1)OC4C(OC(C4O2)n5cnc6c5ncnc6N)C OP(=O)(O)O |
[(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
| 30297 | N7A | 4 | C11 H17 N3 O4 S | InChI=1S/C11H17N3O4S/c12- 19(17,18)10-5-3-9(4-6-10) 14-11(16)13-7-1-2-8-15/h3 -6,15H,1-2,7-8H2,(H2,12,1 7,18)(H2,13,14,16); ZYHIIICNASUCRW-UHFFFAOYSA-N |
c1cc(ccc1NC(=O)NCCCCO)S(=O)(=O)N; N[S](= O)(=O)c1ccc(NC(=O)NCCCCO)cc1; c1cc(S(=O) (=O)N)ccc1NC(=O)NCCCCO |
4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| 30298 | N7B | 2 | C31 H29 N7 O3 | InChI=1S/C31H29N7O3/c1-2- 28(40)37-25-15-21(8-11-27 (25)41-13-12-39)24-17-32- 30-29(24)31(34-19-33-30)3 6-23-9-10-26-22(14-23)16- 35-38(26)18-20-6-4-3-5-7- 20/h3-11,14-17,19,39H,2,1 2-13,18H2,1H3,(H,37,40)(H 2,32,33,34,36); JWMTXHVHBHZXTN-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4c cc5n(Cc6ccccc6)ncc5c4)c23; CCC(=O)Nc1cc( ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)c nn5Cc6ccccc6 |
~{N}-[2-(2-hydroxyethyloxy)-5-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
| 30299 | N7C | 1 | C11 H11 N3 O | InChI=1S/C11H11N3O/c1-3-1 0(15)13-8-5-4-6-9-11(8)12 -7-14(9)2/h3-7H,1H2,2H3,( H,13,15); SJPYQEXWGCASRI-UHFFFAOYSA-N |
Cn1cnc2c(NC(=O)C=C)cccc12; Cn1cnc2c1cccc 2NC(=O)C=C |
~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide |
| 30300 | N7D | 4 | C11 H17 N3 O4 S | InChI=1S/C11H17N3O4S/c12- 19(17,18)10-5-3-4-9(8-10) 14-11(16)13-6-1-2-7-15/h3 -5,8,15H,1-2,6-7H2,(H2,12 ,17,18)(H2,13,14,16); VHNLDERZDZTERH-UHFFFAOYSA-N |
OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O; N[S](= O)(=O)c1cccc(NC(=O)NCCCCO)c1; c1cc(cc(c1 )S(=O)(=O)N)NC(=O)NCCCCO |
3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| 30301 | N7E ZINC000584905778 |
9 | C15 H31 N2 O8 P | InChI=1S/C15H31N2O8P/c1-1 5(2,11-25-26(21,22)23)13( 19)14(20)17-9-7-12(18)16- 8-5-4-6-10-24-3/h13,19H,4 -11H2,1-3H3,(H,16,18)(H,1 7,20)(H2,21,22,23)/t13-/m 0/s1; FOBYDOXAQNKICH-ZDUSSCGKSA-N |
COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P] (O)(O)=O; OP(O)(=O)OCC(C(O)C(=O)NCCC(=O) NCCCCCOC)(C)C; CC(C)(COP(=O)(O)O)C(C(=O) NCCC(=O)NCCCCCOC)O; COCCCCCNC(=O)CCNC(=O )[C@H](O)C(C)(C)CO[P](O)(O)=O; CC(C)(COP (=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O |
N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide |
| 30302 | N7F CHEMBL1951424 ZINC000073278897 |
2 | C29 H27 N7 O | InChI=1S/C29H27N7O/c30-15 -24-26-27(29(37)35(19-33- 26)17-21-12-13-32-25-11-5 -4-10-23(21)25)36(16-20-7 -2-1-3-8-20)28(24)34-14-6 -9-22(31)18-34/h1-5,7-8,1 0-13,19,22H,6,9,14,16-18, 31H2/t22-/m0/s1; WRJSBPQWADEDBH-QFIPXVFZSA-N |
N[C@H]1CCCN(C1)c2n(Cc3ccccc3)c4C(=O)N(Cc 5ccnc6ccccc56)C=Nc4c2C#N; c1ccc(cc1)Cn2c 3c(c(c2N4CCCC(C4)N)C#N)N=CN(C3=O)Cc5ccnc 6c5cccc6; N[CH]1CCCN(C1)c2n(Cc3ccccc3)c4 C(=O)N(Cc5ccnc6ccccc56)C=Nc4c2C#N; N#Cc2 c1N=CN(C(=O)c1n(c2N3CCCC(N)C3)Cc4ccccc4) Cc5c6ccccc6ncc5; c1ccc(cc1)Cn2c3c(c(c2N4 CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5c ccc6 |
6-[(3S)-3-AMINOPIPERIDIN-1-YL]-5-BENZYL-4-OXO-3-(QUINOLIN-4-YLMETHYL)-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDINE-7-CARBONITRILE |
| 30303 | N7G | 16 | C15 H30 N2 O4 | InChI=1S/C15H30N2O4/c1-15 (2,3)13(19)14(20)17-10-8- 12(18)16-9-6-5-7-11-21-4/ h13,19H,5-11H2,1-4H3,(H,1 6,18)(H,17,20)/t13-/m0/s1; NABPYAZEODOCAF-ZDUSSCGKSA-N |
COCCCCCNC(=O)CCNC(=O)[CH](O)C(C)(C)C; CC (C)(C)C(C(=O)NCCC(=O)NCCCCCOC)O; CC(C)(C )[C@H](C(=O)NCCC(=O)NCCCCCOC)O; CC(C)(C) C(O)C(NCCC(NCCCCCOC)=O)=O; COCCCCCNC(=O) CCNC(=O)[C@H](O)C(C)(C)C |
(2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide |
| 30304 | N7H | 2 | C34 H29 Fe N5 O6 | InChI=1S/C34H33N5O6.Fe/c1 -7-20-16(3)24-14-27-21(8- 2)18(5)32(37-27)34(39(44) 45)33-19(6)23(10-12-31(42 )43)29(38-33)15-28-22(9-1 1-30(40)41)17(4)25(36-28) 13-26(20)35-24;/h7-8,13-1 5H,1-2,9-12H2,3-6H3,(H4,3 5,36,37,38,40,41,42,43);/ q;+4/p-4/b24-14-,25-13-,2 6-13-,27-14-,28-15-,29-15 -,34-32+,34-33+;; KYBKYUQKNYQUQX-GYHFSKQYSA-J |
Cc1c2cc3[n+]4c(c(c5c(c(c6n5[Fe]47n2c(c1C =C)cc8[n+]7c(c6)C(=C8C)CCC(=O)[O-])CCC(= O)[O-])C)N(=O)=O)C(=C3C=C)C; [O-]C(=O)CC C1=C(C=7[N+]3=C1C=C5C(=C(C6=C(N(=O)=O)C8 =[N+]4C(=Cc2c(c(c(n2[Fe]34N56)C=7)\C=C)C )C(\C=C)=C8C)C)CCC([O-])=O)C; CC1=C(CCC( [O-])=O)C2=[N@+]3C1=Cc4n5c(C=C6C(=C(C)C7 =[N@+]6[Fe@]35[N@@]8C(=C2)C(=C(C)C8=C7[N ](=O)=O)CCC([O-])=O)C=C)c(C)c4C=C; CC1=C (CCC([O-])=O)C2=[N+]3C1=Cc4n5c(C=C6C(=C( C)C7=[N+]6[Fe]35[N]8C(=C2)C(=C(C)C8=C7[N ](=O)=O)CCC([O-])=O)C=C)c(C)c4C=C |
DELTA-MESO NITROHEME |
| 30305 | N7I CHEMBL501870 ZINC000012359045 |
12 | C10 H12 O3 | InChI=1S/C10H12O3/c1-13-1 0-7-8(3-2-6-11)4-5-9(10)1 2/h2-5,7,11-12H,6H2,1H3/b 3-2+; JMFRWRFFLBVWSI-NSCUHMNNSA-N |
COc1cc(C=CCO)ccc1O; COc1cc(\C=C\CO)ccc1O ; COc1cc(ccc1O)C=CCO; Oc1ccc(cc1OC)/C=C/ CO; COc1cc(ccc1O)/C=C/CO |
4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol; Coniferyl alcohol |
| 30306 | N7J | 3 | C7 H7 N3 O4 S | InChI=1S/C7H7N3O4S/c8-15( 12,13)4-1-2-6-5(3-4)9-7(1 0-11)14-6/h1-3,11H,(H,9,1 0)(H2,8,12,13); LFVGWDIBDCWZBB-UHFFFAOYSA-N |
c1cc2c(cc1S(=O)(=O)N)NC(=NO)O2; c1c(ccc2 c1N/C(O2)=N/O)S(=O)(=O)N; N[S](=O)(=O)c1 ccc2OC(Nc2c1)=NO; N[S](=O)(=O)c1ccc2OC(\ Nc2c1)=N/O |
(2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
| 30307 | N7K | 2 | C29 H25 N7 O | InChI=1S/C29H25N7O/c1-2-2 6(37)34-22-10-6-9-20(13-2 2)24-16-30-28-27(24)29(32 -18-31-28)35-23-11-12-25- 21(14-23)15-33-36(25)17-1 9-7-4-3-5-8-19/h3-16,18H, 2,17H2,1H3,(H,34,37)(H2,3 0,31,32,35); OAEKXBTZBOTUIT-UHFFFAOYSA-N |
CCC(=O)Nc1cccc(c1)c2c[nH]c3ncnc(Nc4ccc5n (Cc6ccccc6)ncc5c4)c23; CCC(=O)Nc1cccc(c1 )c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6cc ccc6 |
~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
| 30308 | N7L | 1 | C11 H13 F N2 O | InChI=1S/C11H13FN2O/c1-7- 2-3-13-6-10(7)14-11(15)9- 4-8(9)5-12/h2-3,6,8-9H,4- 5H2,1H3,(H,14,15)/t8-,9+/ m0/s1; TYFFVSFZMUBUOV-DTWKUNHWSA-N |
Cc1ccncc1NC(=O)[CH]2C[CH]2CF; Cc1ccncc1N C(=O)C2CC2CF; Cc1ccncc1NC(=O)[C@@H]2C[C@ H]2CF; O=C(Nc1cnccc1C)C1CC1CF |
(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide |
| 30309 | N7M | 4 | C9 H13 N3 O4 S | InChI=1S/C9H13N3O4S/c10-1 7(15,16)8-3-1-7(2-4-8)12- 9(14)11-5-6-13/h1-4,13H,5 -6H2,(H2,10,15,16)(H2,11, 12,14); BDPLJVICBWZNIK-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(NC(=O)NCCO)cc1; c1cc(c cc1NC(=O)NCCO)S(=O)(=O)N; c1cc(S(=O)(=O) N)ccc1NC(=O)NCCO |
4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide |
| 30310 | N7N | 2 | C25 H30 N4 O6 | InChI=1S/C25H30N4O6/c30-1 4-16(13-21(31)32)27-23(33 )20-10-9-17-6-2-4-8-19(25 (35)29(17)20)28-24(34)22- 18-7-3-1-5-15(18)11-12-26 -22/h1,3,5,7,11-12,16-17, 19-20,30H,2,4,6,8-10,13-1 4H2,(H,27,33)(H,28,34)(H, 31,32)/t16-,17-,19-,20-/m 0/s1; AVBDMGZDLMBHDP-ZULIPRJHSA-N |
c1ccc2c(c1)ccnc2C(=O)NC3CCCCC4CCC(N4C3=O )C(=O)NC(CC(=O)O)CO; OC[CH](CC(O)=O)NC(= O)[CH]1CC[CH]2CCCC[CH](NC(=O)c3nccc4cccc c34)C(=O)N12; c1ccc2c(c1)ccnc2C(=O)N[C@H ]3CCCC[C@H]4CC[C@H](N4C3=O)C(=O)N[C@@H]( CC(=O)O)CO; OC[C@H](CC(O)=O)NC(=O)[C@@H] 1CC[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34 )C(=O)N12 |
(3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid |
| 30311 | N7O ZINC000013982784 |
1 | C19 H15 Cl F2 N O3 P S | InChI=1S/C19H15ClF2NO3PS/ c1-27(25,26)18(14-10-28-1 7-5-3-12(20)9-13(14)17)19 (24)23-7-6-11-2-4-15(21)1 6(22)8-11/h2-10,18H,1H3,( H,23,24)(H,25,26)/b7-6+/t 18-/m0/s1; SEXLHAASDZPHOM-DKFQHHCZSA-N |
C[P](O)(=O)[CH](C(=O)NC=Cc1ccc(F)c(F)c1) c2csc3ccc(Cl)cc23; CP(=O)(C(c1csc2c1cc(c c2)Cl)C(=O)NC=Cc3ccc(c(c3)F)F)O; C[P](O) (=O)[C@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c2cs c3ccc(Cl)cc23; Fc1ccc(cc1F)\C=C\NC(=O)C( c2c3cc(Cl)ccc3sc2)P(=O)(O)C; C[P@@](=O)( [C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3cc c(c(c3)F)F)O |
(S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid |
| 30312 | N7P CHEMBL1234599 DB03360 ZINC000000119664 |
7 | C7 H11 N O3 | InChI=1S/C7H11NO3/c1-5(9) 8-4-2-3-6(8)7(10)11/h6H,2 -4H2,1H3,(H,10,11)/t6-/m0 /s1; GNMSLDIYJOSUSW-LURJTMIESA-N |
CC(=O)N1CCC[CH]1C(O)=O; CC(=O)N1CCC[C@H] 1C(O)=O; OC(=O)C1N(C(=O)C)CCC1; CC(=O)N1 CCC[C@H]1C(=O)O; CC(=O)N1CCCC1C(=O)O |
1-ACETYL-L-PROLINE; N-ACETYLPROLINE |
| 30313 | N7Q | 2 | C29 H27 Cl N6 O4 | InChI=1S/C29H27ClN6O4/c1- 2-26(38)36-23-13-18(6-8-2 5(23)39-12-11-37)21-15-32 -28-27(21)29(34-17-33-28) 35-19-7-9-24(22(30)14-19) 40-16-20-5-3-4-10-31-20/h 3-10,13-15,17,37H,2,11-12 ,16H2,1H3,(H,36,38)(H2,32 ,33,34,35); ITNSBESGJFQCLA-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCO)c2c[nH]c3ncnc(Nc4c cc(OCc5ccccn5)c(Cl)c4)c23; CCC(=O)Nc1cc( ccc1OCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4)C l)OCc5ccccn5 |
~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide |
| 30314 | N7R CHEMBL236593 DB12228 ZINC000028827350 |
2 | C26 H27 F5 N6 O3 | InChI=1S/C26H27F5N6O3/c27 -18-4-1-3-17(21(18)28)15- 6-7-19(23(38)36(13-15)14- 26(29,30)31)33-24(39)35-1 1-8-16(9-12-35)37-20-5-2- 10-32-22(20)34-25(37)40/h 1-5,10,15-16,19H,6-9,11-1 4H2,(H,33,39)(H,32,34,40) /t15-,19-/m1/s1; CGDZXLJGHVKVIE-DNVCBOLYSA-N |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CC[C@@H] (CC3)N4C(=O)Nc5ncccc45)C(=O)N(C2)CC(F)(F )F)c1F; c1cc(c(c(c1)F)F)C2CCC(C(=O)N(C2) CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccnc5NC4= O; Fc1cccc([CH]2CC[CH](NC(=O)N3CC[CH](CC 3)N4C(=O)Nc5ncccc45)C(=O)N(C2)CC(F)(F)F) c1F; c1cc(c(c(c1)F)F)[C@@H]2CC[C@H](C(=O )N(C2)CC(F)(F)F)NC(=O)N3CCC(CC3)N4c5cccn c5NC4=O; O=C(NC2C(=O)N(CC(F)(F)F)CC(c1cc cc(F)c1F)CC2)N5CCC(N4c3cccnc3NC4=O)CC5 |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide |
| 30315 | N7S | 4 | C11 H17 N3 O5 S | InChI=1S/C11H17N3O5S/c12- 20(18,19)8-3-4-10(16)9(7- 8)14-11(17)13-5-1-2-6-15/ h3-4,7,15-16H,1-2,5-6H2,( H2,12,18,19)(H2,13,14,17); YIESVFNRTQHBOZ-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCCCO)c1; c 1cc(cc(c1O)NC(NCCCCO)=O)S(N)(=O)=O; c1cc (c(cc1S(=O)(=O)N)NC(=O)NCCCCO)O |
4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide |
| 30316 | N7T ZINC000079036671 |
6 | C11 H19 N O9 | InChI=1S/C11H19NO9/c13-4- 7(15)10(19)9(18)6(14)3-12 -5(11(20)21)1-2-8(16)17/h 5,7,9-10,12-13,15,18-19H, 1-4H2,(H,16,17)(H,20,21)/ t5-,7+,9+,10+/m0/s1; PUFNBARRTADWAC-AJGMQJJTSA-N |
OC[CH](O)[CH](O)[CH](O)C(=O)CN[CH](CCC(O )=O)C(O)=O; OC[C@@H](O)[C@@H](O)[C@H](O) C(=O)CN[C@@H](CCC(O)=O)C(O)=O; C(CC(=O)O )C(C(=O)O)NCC(=O)C(C(C(CO)O)O)O; C(CC(=O )O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@ @H](CO)O)O)O |
(2~{S})-2-[[(3~{S},4~{R},5~{R})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid |
| 30317 | N7U | 4 | C19 H16 N3 O3 P | InChI=1S/C19H16N3O3P/c23- 26(24,25)16-11-9-15(10-12 -16)20-19-18(14-6-2-1-3-7 -14)21-17-8-4-5-13-22(17) 19/h1-13,20H,(H2,23,24,25 ); PVOVQXFFCUTLSZ-UHFFFAOYSA-N |
c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O )(O)O; O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4 ccccc4)cc1; O=P(O)(O)c1ccc(cc1)Nc1c(nc2c cccn12)c1ccccc1 |
(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid |
| 30318 | N7V | 1 | C15 H13 N3 O6 S | InChI=1S/C15H13N3O6S/c1-9 (10-2-4-11(5-3-10)18(20)2 1)17-13-8-12(25(16,22)23) 6-7-14(13)24-15(17)19/h2- 9H,1H3,(H2,16,22,23)/t9-/ m0/s1; VUWITMBBSGBZNQ-VIFPVBQESA-N |
c12c(ccc(c1)S(=O)(=O)N)OC(N2C(c3ccc(cc3) [N+]([O-])=O)C)=O; CC(c1ccc(cc1)[N+](=O) [O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N; C[CH]( N1C(=O)Oc2ccc(cc12)[S](N)(=O)=O)c3ccc(cc 3)[N+]([O-])=O; C[C@@H](c1ccc(cc1)[N+](= O)[O-])N2c3cc(ccc3OC2=O)S(=O)(=O)N; C[C@ H](N1C(=O)Oc2ccc(cc12)[S](N)(=O)=O)c3ccc (cc3)[N+]([O-])=O |
3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
| 30319 | N7W | 2 | C31 H32 Cl N7 O3 | InChI=1S/C31H32ClN7O3/c1- 4-28(40)38-25-15-20(8-10- 27(25)41-14-13-39(2)3)23- 17-34-30-29(23)31(36-19-3 5-30)37-21-9-11-26(24(32) 16-21)42-18-22-7-5-6-12-3 3-22/h5-12,15-17,19H,4,13 -14,18H2,1-3H3,(H,38,40)( H2,34,35,36,37); WZMIGEKETGVQLI-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(n cn3)Nc4ccc(c(c4)Cl)OCc5ccccn5; CCC(=O)Nc 1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4ccc(OC c5ccccn5)c(Cl)c4)c23 |
~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
| 30320 | N7X | 0 | C13 H22 N3 O8 P S | InChI=1S/C13H22N3O8PS/c1- 7-5-16(13(18)15-11(7)14)1 2-10(22-4-3-21-2)9(17)8(2 4-12)6-23-25(19,20)26/h5, 8-10,12,17H,3-4,6H2,1-2H3 ,(H2,14,15,18)(H2,19,20,2 6)/t8-,9-,10-,12-/m1/s1; UINDLFLAAYRFRN-DNRKLUKYSA-N |
CC1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)O )O)OCCOC; COCCO[CH]1[CH](O)[CH](CO[P](O) (O)=S)O[CH]1N2C=C(C)C(=NC2=O)N; C(COC)OC 1C(OC(C1O)COP(O)(O)=S)N2C(N=C(C(C)=C2)N) =O; COCCO[C@@H]1[C@H](O)[C@@H](CO[P](O)( O)=S)O[C@H]1N2C=C(C)C(=NC2=O)N; CC1=CN(C (=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)C OP(=S)(O)O)O)OCCOC |
5'-O-[(R)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-O-(2-methoxyethyl)-5-methylcytidine |
| 30321 | N7Y | 2 | C10 H17 N5 O16 P4 | InChI=1S/C10H17N5O16P4/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-6(16)7(29-35(25,26) 31-33(20,21)22)4(28-10)1- 27-34(23,24)30-32(17,18)1 9/h2-4,6-7,10,16H,1H2,(H, 23,24)(H,25,26)(H2,11,12, 13)(H2,17,18,19)(H2,20,21 ,22)/t4-,6-,7-,10-/m1/s1; DWZMGWMGGHNJLF-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O [P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O )[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C O[P](O)(=O)O[P](O)(O)=O)[C@@H](O[P](O)(= O)O[P](O)(O)=O)[C@H]3O; c1nc(c2c(n1)n(cn 2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O )OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N; c1n c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(= O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N; O(P(=O)( O)O)P(O)(OC1C(C(OC1COP(=O)(O)OP(=O)(O)O) n2cnc3c(ncnc23)N)O)=O |
adenosine 3',5'-bis(trihydrogen diphosphate) |
| 30322 | N7Z | 2 | C30 H29 Cl N6 O4 | InChI=1S/C30H29ClN6O4/c1- 2-27(39)37-24-14-19(7-9-2 6(24)40-13-5-12-38)22-16- 33-29-28(22)30(35-18-34-2 9)36-20-8-10-25(23(31)15- 20)41-17-21-6-3-4-11-32-2 1/h3-4,6-11,14-16,18,38H, 2,5,12-13,17H2,1H3,(H,37, 39)(H2,33,34,35,36); FIXWLDLWQJFGNR-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCCO)c2c[nH]c3ncnc(Nc4 ccc(OCc5ccccn5)c(Cl)c4)c23; CCC(=O)Nc1cc (ccc1OCCCO)c2c[nH]c3c2c(ncn3)Nc4ccc(c(c4 )Cl)OCc5ccccn5 |
~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide |
| 30323 | N80 | 0 | C7 H11 N O2 | InChI=1S/C7H11NO2/c1-2-8- 5-3-4-6(8)7(9)10/h2,6H,1, 3-5H2,(H,9,10)/t6-/m0/s1; XOTIFFOSEYHBBR-LURJTMIESA-N |
C=CN1CCCC1C(=O)O; C=CN1CCC[C@H]1C(=O)O; OC(=O)[CH]1CCCN1C=C; OC(=O)[C@@H]1CCCN1C =C; O=C(O)C1N(\C=C)CCC1 |
1-ethenyl-L-proline |
| 30324 | N81 DB01727 ZINC000000895175 |
2 | C6 H8 O7 | InChI=1S/C6H8O7/c7-3(8)1- 2(5(10)11)4(9)6(12)13/h2, 4,9H,1H2,(H,7,8)(H,10,11) (H,12,13)/t2-,4-/m0/s1; ODBLHEXUDAPZAU-OKKQSCSOSA-N |
C([C@@H]([C@@H](C(=O)O)O)C(=O)O)C(=O)O; OC(C(CC(O)=O)C(O)=O)C(O)=O; O[C@@H]([C@H ](CC(O)=O)C(O)=O)C(O)=O; C(C(C(C(=O)O)O) C(=O)O)C(=O)O; O[CH]([CH](CC(O)=O)C(O)=O )C(O)=O |
3-carboxy-2,3-dideoxy-D-erythro-pentaric acid |
| 30325 | N82 | 2 | C34 H33 N7 O4 | InChI=1S/C34H33N7O4/c1-4- 29(42)39-27-17-22(11-14-2 8(27)45-16-15-40(2)3)26-1 8-35-31-30(26)32(37-20-36 -31)38-23-12-9-21(10-13-2 3)19-41-33(43)24-7-5-6-8- 25(24)34(41)44/h5-14,17-1 8,20H,4,15-16,19H2,1-3H3, (H,39,42)(H2,35,36,37,38); AAWACOFFDRTXNP-UHFFFAOYSA-N |
CCC(=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3c2c(n cn3)Nc4ccc(cc4)CN5C(=O)c6ccccc6C5=O; CCC (=O)Nc1cc(ccc1OCCN(C)C)c2c[nH]c3ncnc(Nc4 ccc(CN5C(=O)c6ccccc6C5=O)cc4)c23 |
~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide |
| 30326 | N83 CHEMBL3309327 ZINC000035092516 |
1 | C8 H8 N2 O | InChI=1S/C8H8N2O/c1-2-8(1 1)10-7-4-3-5-9-6-7/h2-6H, 1H2,(H,10,11); RMJWTHQXDHWUKO-UHFFFAOYSA-N |
C=CC(=O)Nc1cccnc1 | ~{N}-pyridin-3-ylprop-2-enamide |
| 30327 | N84 | 4 | C13 H14 N4 O4 S | InChI=1S/C13H14N4O4S/c14- 22(20,21)10-1-2-12(18)11( 7-10)17-13(19)16-8-9-3-5- 15-6-4-9/h1-7,18H,8H2,(H2 ,14,20,21)(H2,16,17,19); QHMKXYXSZRKDAT-UHFFFAOYSA-N |
c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O; c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O ; N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2 )c1 |
4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide |
| 30328 | N85 CHEMBL2030479 ZINC000084668998 |
2 | C16 H19 N3 O7 | InChI=1S/C16H19N3O7/c20-6 -10-11(21)12(22)13(23)15( 26-10)19-16(25)18-14(24)9 -5-7-3-1-2-4-8(7)17-9/h1- 5,10-13,15,17,20-23H,6H2, (H2,18,19,24,25)/t10-,11- ,12+,13-,15-/m1/s1; KAFZFGVMCHNQST-ZHZXCYKASA-N |
OC[C@H]1O[C@@H](NC(=O)NC(=O)c2[nH]c3cccc c3c2)[C@H](O)[C@@H](O)[C@@H]1O; c1ccc2c( c1)cc([nH]2)C(=O)NC(=O)NC3C(C(C(C(O3)CO) O)O)O; c1ccc2c(c1)cc([nH]2)C(=O)NC(=O)N[ C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O )O; O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c3cc2 ccccc2n3; OC[CH]1O[CH](NC(=O)NC(=O)c2[nH ]c3ccccc3c2)[CH](O)[CH](O)[CH]1O |
N-[(1H-indol-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine |
| 30329 | N86 | 1 | C12 H10 N2 O | InChI=1S/C12H10N2O/c1-2-1 2(15)14-10-6-5-9-4-3-7-13 -11(9)8-10/h2-8H,1H2,(H,1 4,15); HUCVNAKJPDEIAX-UHFFFAOYSA-N |
C=CC(=O)Nc1ccc2cccnc2c1 | ~{N}-quinolin-7-ylprop-2-enamide |
| 30330 | N87 ZINC000066157181 |
34 | C20 H18 O6 | InChI=1S/C20H18O6/c21-16- 11-20(26,19(24)25)10-15(1 8(16)23)13-7-4-8-14(9-13) 17(22)12-5-2-1-3-6-12/h1- 10,16,18,21,23,26H,11H2,( H,24,25)/t16-,18-,20+/m1/ s1; XHOCFTKQBAZROZ-POAQFYNOSA-N |
c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H] ([C@@H]3O)O)(C(=O)O)O; O[C@@H]1C[C@@](O) (C=C([C@H]1O)c2cccc(c2)C(=O)c3ccccc3)C(O )=O; O=C(O)C3(O)C=C(c2cccc(C(=O)c1ccccc1 )c2)C(O)C(O)C3; c1ccc(cc1)C(=O)c2cccc(c2 )C3=CC(CC(C3O)O)(C(=O)O)O; O[CH]1C[C](O) (C=C([CH]1O)c2cccc(c2)C(=O)c3ccccc3)C(O) =O |
(1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid |
| 30331 | N88 ZINC000066157184 |
14 | C12 H19 N O6 | InChI=1S/C12H19NO6/c1-11( 2,3)13-9(16)6-4-12(19,10( 17)18)5-7(14)8(6)15/h4,7- 8,14-15,19H,5H2,1-3H3,(H, 13,16)(H,17,18)/t7-,8-,12 +/m1/s1; BDNCEUNKGWSSTP-RWYTXXIDSA-N |
CC(C)(C)NC(=O)C1=C[C@](O)(C[C@@H](O)[C@@ H]1O)C(O)=O; CC(C)(C)NC(=O)C1=C[C@](C[C@ H]([C@@H]1O)O)(C(=O)O)O; CC(C)(C)NC(=O)C 1=C[C](O)(C[CH](O)[CH]1O)C(O)=O; O=C(O)C 1(O)C=C(C(=O)NC(C)(C)C)C(O)C(O)C1; CC(C) (C)NC(=O)C1=CC(CC(C1O)O)(C(=O)O)O |
(1R,4R,5R)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid |
| 30332 | N8A | 4 | C14 H16 N4 O4 S | InChI=1S/C14H16N4O4S/c15- 23(21,22)11-4-5-13(19)12( 9-11)18-14(20)17-8-6-10-3 -1-2-7-16-10/h1-5,7,9,19H ,6,8H2,(H2,15,21,22)(H2,1 7,18,20); BTQJGTGBPQIYNN-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2) c1; c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N) =O; c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)( =O)N |
4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide |
| 30333 | N8C ZINC000001666938 |
4 | C8 H17 N O2 | InChI=1S/C8H17NO2/c1-2-3- 4-5-6-7-8-9(10)11/h2-8H2, 1H3; KLGHUFNKRIWCDQ-UHFFFAOYSA-N |
[O-][N+](=O)CCCCCCCC; CCCCCCCC[N+]([O-]) =O; CCCCCCCC[N+](=O)[O-] |
1-nitrooctane |
| 30334 | N8E DB08249 ZINC000016051619 |
0 | C18 H38 O6 | InChI=1S/C18H38O6/c1-2-3- 4-5-6-7-9-20-11-13-22-15- 17-24-18-16-23-14-12-21-1 0-8-19/h19H,2-18H2,1H3; MJELOWOAIAAUJT-UHFFFAOYSA-N |
CCCCCCCCOCCOCCOCCOCCOCCO; O(CCO)CCOCCOCC OCCOCCCCCCCC |
3,6,9,12,15-PENTAOXATRICOSAN-1-OL; N-OCTYLPENTAOXYETHYLENE; PENTAETHYLENE GLYCOL MONOOCTYL ETHER; OCTYLPENTAGLYCOL N-OCTYLPENTAOXYETHYLENE |
| 30335 | N8F | 2 | C12 H13 N O4 S | InChI=1S/C12H13NO4S/c14-1 1-7-6-9(12(15)13-11)8-18( 16,17)10-4-2-1-3-5-10/h1- 5,9H,6-8H2,(H,13,14,15)/t 9-/m1/s1; JPOLQZHTTNLNIA-SECBINFHSA-N |
c1ccc(cc1)S(=O)(=O)C[C@H]2CCC(=O)NC2=O; O=C1CC[C@H](C[S](=O)(=O)c2ccccc2)C(=O)N1 ; O=C1CC[CH](C[S](=O)(=O)c2ccccc2)C(=O)N 1; c1ccc(cc1)S(=O)(=O)CC2CCC(=O)NC2=O |
(3~{S})-3-(phenylsulfonylmethyl)piperidine-2,6-dione |
| 30336 | N8G CHEMBL192771 ZINC000013642543 |
2 | C8 H13 F N3 O12 P3 S | InChI=1S/C8H13FN3O12P3S/c 9-4-1-12(8(13)11-7(4)10)5 -3-28-6(22-5)2-21-26(17,1 8)24-27(19,20)23-25(14,15 )16/h1,5-6H,2-3H2,(H,17,1 8)(H,19,20)(H2,10,11,13)( H2,14,15,16)/t5-,6+/m1/s1; WIEOLFZNMKSGEX-RITPCOANSA-N |
NC1=NC(=O)N(C=C1F)[CH]2CS[CH](CO[P](O)(= O)O[P](O)(=O)O[P](O)(O)=O)O2; NC1=NC(=O) N(C=C1F)[C@H]2CS[C@@H](CO[P](O)(=O)O[P]( O)(=O)O[P](O)(O)=O)O2; C1C(OC(S1)COP(=O) (O)OP(=O)(O)OP(=O)(O)O)N2C=C(C(=NC2=O)N) F; C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)( O)OP(=O)(O)O)N2C=C(C(=NC2=O)N)F |
[[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 30337 | N8I | 2 | C26 H22 N3 O3 P | InChI=1S/C26H22N3O3P/c30- 33(31,32)18-19-11-13-23(1 4-12-19)27-26-25(21-9-5-2 -6-10-21)28-24-17-22(15-1 6-29(24)26)20-7-3-1-4-8-2 0/h1-17,27H,18H2,(H2,30,3 1,32); ORMINEGKRFWUKK-UHFFFAOYSA-N |
O[P](O)(=O)Cc1ccc(Nc2n3ccc(cc3nc2c4ccccc 4)c5ccccc5)cc1; c1ccc(cc1)c2ccn3c(c2)nc( c3Nc4ccc(cc4)CP(=O)(O)O)c5ccccc5; O=P(O) (O)Cc1ccc(cc1)Nc1c(nc2cc(ccn12)c1ccccc1) c1ccccc1 |
[(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid |
| 30338 | N8J CHEMBL5183445 |
1 | C27 H26 Cl2 N2 O4 S | InChI=1S/C27H26Cl2N2O4S/c 28-21-10-11-22(23(29)14-2 1)26-16-31(15-18-7-4-8-18 )24-13-20(9-12-25(24)35-2 6)27(32)30-36(33,34)17-19 -5-2-1-3-6-19/h1-3,5-6,9- 14,18,26H,4,7-8,15-17H2,( H,30,32)/t26-/m1/s1; HEKXNQLQQLOBSI-AREMUKBSSA-N |
c1ccc(cc1)CS(=O)(=O)NC(=O)c2ccc3c(c2)N(C C(O3)c4ccc(cc4Cl)Cl)CC5CCC5; Clc1ccc([CH ]2CN(CC3CCC3)c4cc(ccc4O2)C(=O)N[S](=O)(= O)Cc5ccccc5)c(Cl)c1; Clc1ccc([C@H]2CN(CC 3CCC3)c4cc(ccc4O2)C(=O)N[S](=O)(=O)Cc5cc ccc5)c(Cl)c1; c1ccc(cc1)CS(=O)(=O)NC(=O) c2ccc3c(c2)N(C[C@@H](O3)c4ccc(cc4Cl)Cl)C C5CCC5; N2(CC1CCC1)CC(Oc3c2cc(cc3)C(NS(C c4ccccc4)(=O)=O)=O)c5ccc(Cl)cc5Cl |
(2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| 30339 | N8K CHEMBL4633637 |
4 | C25 H23 F N6 O2 | InChI=1S/C25H23FN6O2/c1-2 -34-18-10-11-20(28-15-18) 24-31-30-23(32(24)22-9-4- 3-7-19(22)26)16-13-17(14- 16)29-25(33)21-8-5-6-12-2 7-21/h3-12,15-17H,2,13-14 H2,1H3,(H,29,33)/t16-,17-; ZBRBBDJXHBEGHX-QAQDUYKDSA-N |
CCOc1ccc(nc1)c2nnc(n2c3ccccc3F)C4CC(C4)N C(=O)c5ccccn5; CCOc1ccc(nc1)c2nnc([CH]3C [CH](C3)NC(=O)c4ccccn4)n2c5ccccc5F; CCOc 1ccc(nc1)c2nnc([C@H]3C[C@@H](C3)NC(=O)c4 ccccn4)n2c5ccccc5F |
~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide |
| 30340 | N8L | 1 | C16 H20 N4 O | InChI=1S/C16H20N4O/c1-3-1 4(21)20-10-4-5-13(20)15-1 1(2)18-19-16(15)12-6-8-17 -9-7-12/h6-9,13H,3-5,10H2 ,1-2H3,(H,18,19)/t13-/m0/ s1; RISJZZLPUZQNDI-ZDUSSCGKSA-N |
CCC(=O)N1CCC[C@H]1c2c([nH]nc2c3ccncc3)C; CCC(=O)N1CCCC1c2c([nH]nc2c3ccncc3)C; CC C(=O)N1CCC[C@H]1c2c(C)[nH]nc2c3ccncc3; C CC(=O)N1CCC[CH]1c2c(C)[nH]nc2c3ccncc3 |
1-[(2~{S})-2-(5-methyl-3-pyridin-4-yl-1~{H}-pyrazol-4-yl)pyrrolidin-1-yl]propan-1-one |
| 30341 | N8M CHEMBL516214 ZINC000040406101 |
2 | C13 H20 N6 O3 | InChI=1S/C13H20N6O3/c1-6- 17-8-11(14)15-5-16-12(8)1 9(6)13-10(21)9(20)7(22-13 )4-18(2)3/h5,7,9-10,13,20 -21H,4H2,1-3H3,(H2,14,15, 16)/t7-,9-,10-,13-/m1/s1; BDRUNDKEQQVJJG-QYVSTXNMSA-N |
CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c( C)nc3c(N)ncnc23; Cc1nc2c(ncnc2n1C3C(C(C( O3)CN(C)C)O)O)N; Cc1nc2c(ncnc2n1[C@H]3[C @@H]([C@@H]([C@H](O3)CN(C)C)O)O)N; CN(C) C[CH]1O[CH]([CH](O)[CH]1O)n2c(C)nc3c(N)n cnc23; n2c1c(ncnc1n(c2C)C3OC(C(O)C3O)CN( C)C)N |
5'-deoxy-5'-(dimethylamino)-8-methyladenosine |
| 30342 | N8N ZINC000000431391 |
1 | C14 H11 Cl N2 O S | InChI=1S/C14H11ClN2OS/c15 -10-4-3-5-11(8-10)17-13(1 8)9-19-14(17)12-6-1-2-7-1 6-12/h1-8,14H,9H2/t14-/m0 /s1; XBARGMZJUZLYLI-AWEZNQCLSA-N |
Clc1cccc(c1)N2[CH](SCC2=O)c3ccccn3; O=C2 N(c1cc(Cl)ccc1)C(SC2)c3ncccc3; Clc1cccc( c1)N2[C@@H](SCC2=O)c3ccccn3; c1ccnc(c1)[ C@H]2N(C(=O)CS2)c3cccc(c3)Cl; c1ccnc(c1) C2N(C(=O)CS2)c3cccc(c3)Cl |
(2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one |
| 30343 | N8O | 1 | C12 H15 N5 O | InChI=1S/C12H15N5O/c1-5-1 1(18)14-9-7-12(16(3)4)17- 10(13-9)6-8(2)15-17/h5-7H ,1H2,2-4H3,(H,13,14,18); WVEPRWKIGLLCKS-UHFFFAOYSA-N |
CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12; Cc1cc2 nc(cc(n2n1)N(C)C)NC(=O)C=C |
~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide |
| 30344 | N8P CHEMBL3137742 ZINC000000119667 |
5 | C7 H11 N O3 | InChI=1S/C7H11NO3/c1-5(9) 8-4-2-3-6(8)7(10)11/h6H,2 -4H2,1H3,(H,10,11)/t6-/m1 /s1; GNMSLDIYJOSUSW-ZCFIWIBFSA-N |
CC(=O)N1CCC[CH]1C(O)=O; O=C(N1C(C(=O)O)C CC1)C; CC(=O)N1CCC[C@@H]1C(=O)O; CC(=O)N 1CCC[C@@H]1C(O)=O; CC(=O)N1CCCC1C(=O)O |
N-ACETYL-D-PROLINE |
| 30345 | N8Q ZINC000006926613 |
2 | C12 H14 N4 O S | InChI=1S/C12H14N4OS/c18-1 2-15-14-11(9-3-1-5-13-7-9 )16(12)8-10-4-2-6-17-10/h 1,3,5,7,10H,2,4,6,8H2,(H, 15,18)/t10-/m0/s1; UPESTZWCQNGAJI-JTQLQIEISA-N |
S=C1NN=C(N1C[C@@H]2CCCO2)c3cccnc3; c1cc( cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3; S=C1NN=C (N1C[CH]2CCCO2)c3cccnc3; c1cc(cnc1)C2=NN C(=S)N2CC3CCCO3 |
4-[[(2~{S})-oxolan-2-yl]methyl]-3-pyridin-3-yl-1~{H}-1,2,4-triazole-5-thione |
| 30346 | N8R CHEMBL1201217 DB00645 ZINC000001530940 |
8 | C18 H27 N O2 | InChI=1S/C18H27NO2/c1-2-3 -15-21-17-9-7-16(8-10-17) 18(20)11-14-19-12-5-4-6-1 3-19/h7-10H,2-6,11-15H2,1 H3; BZEWSEKUUPWQDQ-UHFFFAOYSA-N |
CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2; CCCCOc1c cc(cc1)C(=O)CCN1CCCCC1 |
Dyclonine; 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one |
| 30347 | N8S CHEMBL4752754 |
1 | C26 H20 Cl F2 N7 O3 S | InChI=1S/C26H20ClF2N7O3S/ c1-13-17(11-36(2)34-13)14 -9-15-23(31-12-32-25(15)3 0)16(10-14)26(37)33-24-18 (27)7-8-20(22(24)29)35-40 (38,39)21-6-4-3-5-19(21)2 8/h3-12,35H,1-2H3,(H,33,3 7)(H2,30,31,32); SLZQHMNLJFHHQH-UHFFFAOYSA-N |
Cn1cc(c(C)n1)c2cc3c(N)ncnc3c(c2)C(=O)Nc4 c(Cl)ccc(N[S](=O)(=O)c5ccccc5F)c4F; Cc1c (cn(n1)C)c2cc3c(c(c2)C(=O)Nc4c(ccc(c4F)N S(=O)(=O)c5ccccc5F)Cl)ncnc3N; c5c(c2cc1c (ncnc1c(c2)C(Nc3c(Cl)ccc(c3F)NS(c4c(cccc 4)F)(=O)=O)=O)N)c(C)nn5C |
4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide |
| 30348 | N8T CHEMBL129108 ZINC000013492741 |
1 | C34 H41 N3 S | InChI=1S/C34H41N3S/c1(3-1 3-23-35-33-25-15-5-9-19-2 9(25)36-30-20-10-6-16-26( 30)33)2-4-14-24-38-34-27- 17-7-11-21-31(27)37-32-22 -12-8-18-28(32)34/h5,7,9, 11,15,17,19,21H,1-4,6,8,1 0,12-14,16,18,20,22-24H2, (H,35,36); COEYCPFFRLYNSC-UHFFFAOYSA-N |
n2c1c(cccc1)c(c3c2CCCC3)NCCCCCCCCSc4c6c( nc5c4CCCC5)cccc6; C(CCCCSc1c2CCCCc2nc3cc ccc13)CCCNc4c5CCCCc5nc6ccccc46; c1ccc2c( c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc 6c4CCCC6 |
N-[8-(1,2,3,4-TETRAHYDROACRIDIN-9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-9-AMINE; N-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)-8-[(1,2,3,4-TETRAHYDROACRIDIN-9-YL)THIO]-O CTAN-1-AMINE |
| 30349 | N8U | 1 | C9 H11 N3 O2 S | InChI=1S/C9H11N3O2S/c1-2- 15(13,14)12-8-3-4-9-7(5-8 )6-10-11-9/h3-6,12H,2H2,1 H3,(H,10,11); RCLHSLDLIZMGRM-UHFFFAOYSA-N |
CC[S](=O)(=O)Nc1ccc2[nH]ncc2c1; CCS(=O)( =O)Nc1ccc2c(c1)cn[nH]2 |
~{N}-(1~{H}-indazol-5-yl)ethanesulfonamide |
| 30350 | N8V CHEMBL1922581 |
13 | C15 H29 N O4 | InChI=1S/C15H29NO4/c1-2-3 -4-5-6-7-8-16-12-9-11(10- 17)13(18)15(20)14(12)19/h 9,12-20H,2-8,10H2,1H3/t12 -,13+,14+,15+/m1/s1; UPZUHYMBTUUPML-QPSCCSFWSA-N |
CCCCCCCCN[CH]1C=C(CO)[CH](O)[CH](O)[CH]1 O; OC1C(NCCCCCCCC)C=C(C(O)C1O)CO; CCCCCC CCN[C@@H]1C=C([C@@H]([C@@H]([C@H]1O)O)O) CO; CCCCCCCCNC1C=C(C(C(C1O)O)O)CO; CCCCC CCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1 O |
(1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol |
| 30351 | N8W | 0 | C9 H14 N2 O5 | InChI=1S/C9H14N2O5/c1-4(1 2)10-5-2-11-6(3-16-9(11)1 5)8(14)7(5)13/h5-8,13-14H ,2-3H2,1H3,(H,10,12)/t5-, 6+,7+,8-/m0/s1; MKTHKMZBVDELIA-OSMVPFSASA-N |
CC(=O)N[CH]1CN2[CH](COC2=O)[CH](O)[CH]1O ; CC(=O)N[C@H]1CN2[C@H](COC2=O)[C@@H]([C @@H]1O)O; CC(=O)N[C@H]1CN2[C@H](COC2=O)[ C@H](O)[C@@H]1O; CC(=O)NC1CN2C(COC2=O)C( C1O)O |
~{N}-[(6~{S},7~{R},8~{S},8~{a}~{R})-7,8-bis(oxidanyl)-3-oxidanylidene-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyridin-6-yl]ethanamide |
| 30352 | N8X | 1 | C13 H16 N4 O | InChI=1S/C13H16N4O/c1-9-4 -10(2)6-11(5-9)7-12(18)15 -13-16-14-8-17(13)3/h4-6, 8H,7H2,1-3H3,(H,15,16,18); UDMVRKGFUBDAMY-UHFFFAOYSA-N |
Cc1cc(cc(c1)CC(=O)Nc2nncn2C)C; O=C(Nc1nn cn1C)Cc1cc(C)cc(C)c1; Cn1cnnc1NC(=O)Cc2c c(C)cc(C)c2 |
2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide |
| 30353 | N8Y ZINC000071618102 |
3 | C9 H9 N3 O | InChI=1S/C9H9N3O/c1-13-6- 2-3-8-7(4-6)9(10)12-5-11- 8/h2-5H,1H3,(H2,10,11,12); QVBPHARYACNVKM-UHFFFAOYSA-N |
COc1ccc2c(c1)c(ncn2)N; COc1ccc2ncnc(N)c2 c1 |
6-methoxyquinazolin-4-amine |
| 30354 | N8Z CHEMBL1560494 ZINC000006519993 |
2 | C9 H12 Cl N5 S | InChI=1S/C9H12ClN5S/c1-4- 15-8(11-12-9(15)16)7-6(10 )5(2)14(3)13-7/h4H2,1-3H3 ,(H,12,16); JETJARLUFXKWGL-UHFFFAOYSA-N |
CCn1c(S)nnc1c2nn(C)c(C)c2Cl; CCn1c(nnc1S )c2c(c(n(n2)C)C)Cl |
5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol |
| 30355 | N90 CHEMBL43064 DB00568 ZINC000019632891 |
1 | C26 H28 N2 | InChI=1S/C26H28N2/c1-4-11 -23(12-5-1)13-10-18-27-19 -21-28(22-20-27)26(24-14- 6-2-7-15-24)25-16-8-3-9-1 7-25/h1-17,26H,18-22H2/b1 3-10+; DERZBLKQOCDDDZ-JLHYYAGUSA-N |
C1CN(CCN1CC=Cc2ccccc2)C(c3ccccc3)c4ccccc 4; C1CN(CCN1C/C=C/c2ccccc2)C(c3ccccc3)c4 ccccc4; c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3cc ccc3)c4ccccc4; c1ccc(cc1)C=CCN2CCN(CC2)C (c3ccccc3)c4ccccc4; c1ccccc1C(c1ccccc1)N 1CCN(CC1)C/C=C/c1ccccc1 |
1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine; Cinnarizine |
| 30356 | N91 CHEMBL1300388 ZINC000000577551 |
1 | C10 H11 N3 O | InChI=1S/C10H11N3O/c1-7(1 4)12-8-3-4-10-9(5-8)11-6- 13(10)2/h3-6H,1-2H3,(H,12 ,14); KAWIUNXJBSAKNK-UHFFFAOYSA-N |
CC(=O)Nc1ccc2c(c1)ncn2C; Cn1cnc2cc(NC(C) =O)ccc12 |
N-(1-METHYLBENZIMIDAZOL-5-YL)ACETAMIDE |
| 30357 | N92 CHEMBL4635554 ZINC000002859320 |
1 | C16 H11 Cl N2 O3 S | InChI=1S/C16H11ClN2O3S/c1 7-10-3-1-9(2-4-10)13-8-23 -16(19-13)18-11-5-6-12(15 (21)22)14(20)7-11/h1-8,20 H,(H,18,19)(H,21,22); NSPLXNBEHSXYHJ-UHFFFAOYSA-N |
OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O; c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O) Cl |
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid |
| 30358 | N93 ZINC000584905782 |
1 | C16 H16 Cl3 N5 | InChI=1S/C16H16Cl3N5/c1-2 4(16-21-13-2-3-14(19)22-1 5(13)23-16)5-4-20-9-10-6- 11(17)8-12(18)7-10/h2-3,6 -8,20H,4-5,9H2,1H3,(H,21, 22,23); RQBUPIVTKWJGSG-UHFFFAOYSA-N |
CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n 2)Cl; CN(CCNCc1cc(Cl)cc(Cl)c1)c2[nH]c3cc c(Cl)nc3n2; Clc1ccc2c(n1)nc(n2)N(C)CCNCc 3cc(cc(c3)Cl)Cl |
5-chloro-N-(2-{[(3,5-dichlorophenyl)methyl]amino}ethyl)-N-methyl-3H-imidazo[4,5-b]pyridin-2-amine |
| 30359 | N94 CHEMBL4780489 |
1 | C19 H18 Cl F N6 O3 S | InChI=1S/C19H18ClFN6O3S/c 20-13-6-7-14(26-31(29,30) 27-8-1-2-9-27)15(21)17(13 )25-19(28)12-5-3-4-11-16( 12)23-10-24-18(11)22/h3-7 ,10,26H,1-2,8-9H2,(H,25,2 8)(H2,22,23,24); SKKINZODGXHKJJ-UHFFFAOYSA-N |
c1cc2c(c(c1)C(=O)Nc3c(ccc(c3F)NS(=O)(=O) N4CCCC4)Cl)ncnc2N; Nc1ncnc2c1cccc2C(=O)N c3c(Cl)ccc(N[S](=O)(=O)N4CCCC4)c3F; c3(c cc(Cl)c(NC(=O)c1cccc2c1ncnc2N)c3F)NS(=O) (=O)N4CCCC4 |
4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide |
| 30360 | N95 CHEMBL5274236 ZINC000169903823 |
3 | C7 H6 B Cl N4 O2 | InChI=1S/C7H6BClN4O2/c9-6 -1-7(11-4-10-6)13-3-5(2-1 2-13)8(14)15/h1-4,14-15H; FINXKFQNFLSJBL-UHFFFAOYSA-N |
B(c1cnn(c1)c2cc(ncn2)Cl)(O)O; Clc1ncnc(c 1)n2ncc(c2)B(O)O; OB(O)c1cnn(c1)c2cc(Cl) ncn2 |
[1-(6-chloropyrimidin-4-yl)-1H-pyrazol-4-yl]boronic acid |
| 30361 | N96 CHEMBL4522739 ZINC000075442912 |
2 | C9 H12 N2 O2 S | InChI=1S/C9H12N2O2S/c1-2- 8(12)11-9-10-6-3-4-13-5-7 (6)14-9/h2-5H2,1H3,(H,10, 11,12); BNOABFVSOWBPLZ-UHFFFAOYSA-N |
CCC(=O)Nc1sc2COCCc2n1; CCC(=O)Nc1nc2c(s1 )COCC2 |
~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide |
| 30362 | N97 CHEMBL4786638 |
2 | C25 H22 Cl F3 N6 O3 S2 | InChI=1S/C25H22ClF3N6O3S2 /c26-16-6-8-18(35-40(37,3 8)19-9-12(27)1-7-17(19)28 )20(29)22(16)34-25(36)15- 10-39-23-21(15)31-11-32-2 4(23)33-14-4-2-13(30)3-5- 14/h1,6-11,13-14,35H,2-5, 30H2,(H,34,36)(H,31,32,33 )/t13-,14-; NALUYXQOXMHJMM-HDJSIYSDSA-N |
N[CH]1CC[CH](CC1)Nc2ncnc3c2scc3C(=O)Nc4c (F)c(N[S](=O)(=O)c5cc(F)ccc5F)ccc4Cl; c1 cc(c(cc1F)S(=O)(=O)Nc2ccc(c(c2F)NC(=O)c3 csc4c3ncnc4NC5CCC(CC5)N)Cl)F; N[C@@H]1CC [C@H](CC1)Nc2ncnc3c2scc3C(=O)Nc4c(F)c(N[ S](=O)(=O)c5cc(F)ccc5F)ccc4Cl; c1(cc(ccc 1F)F)S(Nc2c(c(c(cc2)Cl)NC(=O)c3csc4c3ncn c4NC5CCC(CC5)N)F)(=O)=O |
4-[(trans-4-aminocyclohexyl)amino]-N-(6-chloro-3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)thieno[3,2-d]pyrimidine-7-carboxamide |
| 30363 | N98 ZINC000020606903 |
4 | C21 H15 N3 O4 | InChI=1S/C21H15N3O4/c1-26 -21(25)17-10-15(14-7-8-18 -19(9-14)28-12-27-18)22-2 0-11-16(23-24(17)20)13-5- 3-2-4-6-13/h2-11H,12H2,1H 3; DCSWTUKGGUNNLU-UHFFFAOYSA-N |
COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OC Oc5c4; COC(=O)c1cc(nc2n1nc(c2)c3ccccc3)c 4ccc5c(c4)OCO5 |
methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate |
| 30364 | N99 | 1 | C10 H9 N3 O | InChI=1S/C10H9N3O/c1-2-10 (14)11-9-7-8-5-3-4-6-13(8 )12-9/h2-7H,1H2,(H,11,12, 14); GKUSJKZFESSFGI-UHFFFAOYSA-N |
C=CC(=O)Nc1cc2ccccn2n1 | ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide |
| 30365 | N9A | 1 | C15 H21 N3 O4 | InChI=1S/C15H21N3O4/c1-2- 9-4-3-5-10(6-9)18-11(7-12 (16)14(19)20)8-13(17-18)1 5(21)22/h3-6,11-13,17H,2, 7-8,16H2,1H3,(H,19,20)(H, 21,22)/t11-,12+,13-/m0/s1; LCLMUHPMEPOVIB-XQQFMLRXSA-N |
CCc1cccc(c1)N2C(CC(N2)C(=O)O)CC(C(=O)O)N ; CCc1cccc(c1)N2N[C@@H](C[C@@H]2C[C@@H]( N)C(O)=O)C(O)=O; C(O)(C(CC1CC(C(=O)O)NN1 c2cc(CC)ccc2)N)=O; CCc1cccc(c1)N2[C@H](C [C@H](N2)C(=O)O)C[C@H](C(=O)O)N; CCc1ccc c(c1)N2N[CH](C[CH]2C[CH](N)C(O)=O)C(O)=O |
(3S,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(3-ethylphenyl)pyrazolidine-3-carboxylic acid |
| 30366 | N9B CHEMBL4748438 |
3 | C20 H20 O5 | InChI=1S/C20H20O5/c1-11-8 -12-9-17(23-3)19(24-4)20( 25-5)18(12)13-6-7-16(22-2 )15(21)10-14(11)13/h6-7,9 -10H,1,8H2,2-5H3; LWZCIQWVGDAJGE-UHFFFAOYSA-N |
COC1=CC=C2C(=CC1=O)C(=C)Cc3cc(OC)c(OC)c( OC)c23; COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O) C=C3C(=C)C2)OC |
1,2,3,9-tetramethoxy-6-methylidene-5~{H}-cyclohepta[a]naphthalen-8-one |
| 30367 | N9C | 1 | C22 H23 F3 N4 O4 | InChI=1S/C22H23F3N4O4/c1- 13(27-17(31)8-9-22(23,24) 25)20(32)28-18-15-6-3-2-5 -14(15)16-7-4-10-26-19(16 )29(11-12-30)21(18)33/h2- 7,10,13,18,30H,8-9,11-12H 2,1H3,(H,27,31)(H,28,32)/ t13-,18-/m0/s1; YCBAQKQAINQRFW-UGSOOPFHSA-N |
C[C@@H](C(=O)N[C@H]1c2ccccc2-c3cccnc3N(C 1=O)CCO)NC(=O)CCC(F)(F)F; C[CH](NC(=O)CC C(F)(F)F)C(=O)N[CH]1C(=O)N(CCO)c2ncccc2c 3ccccc13; C[C@H](NC(=O)CCC(F)(F)F)C(=O)N [C@@H]1C(=O)N(CCO)c2ncccc2c3ccccc13; CC( C(=O)NC1c2ccccc2-c3cccnc3N(C1=O)CCO)NC(= O)CCC(F)(F)F |
4,4,4-tris(fluoranyl)-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxidanylidene-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxidanylidene-propan-2-yl]butanamide; Crenigacestat |
| 30368 | N9D | 1 | C16 H23 N3 O4 | InChI=1S/C16H23N3O4/c1-2- 3-10-4-6-11(7-5-10)19-12( 8-13(17)15(20)21)9-14(18- 19)16(22)23/h4-7,12-14,18 H,2-3,8-9,17H2,1H3,(H,20, 21)(H,22,23)/t12-,13+,14+ /m0/s1; UPNZKJBKYMIUDF-BFHYXJOUSA-N |
CCCc1ccc(cc1)N2N[C@H](C[C@@H]2C[C@@H](N) C(O)=O)C(O)=O; CCCc1ccc(cc1)N2[C@H](C[C@ @H](N2)C(=O)O)C[C@H](C(=O)O)N; CCCc1ccc( cc1)N2C(CC(N2)C(=O)O)CC(C(=O)O)N; c2c(cc c(N1C(CC(C(O)=O)N)CC(C(=O)O)N1)c2)CCC; C CCc1ccc(cc1)N2N[CH](C[CH]2C[CH](N)C(O)=O )C(O)=O |
(3R,5S)-5-[(2R)-2-amino-2-carboxyethyl]-1-(4-propylphenyl)pyrazolidine-3-carboxylic acid |
| 30369 | N9F CHEMBL5199754 |
1 | C10 H11 N3 O | InChI=1S/C10H11N3O/c1-7(1 4)11-5-8-2-3-10-9(4-8)6-1 2-13-10/h2-4,6H,5H2,1H3,( H,11,14)(H,12,13); HLISOCFZUBIOAM-UHFFFAOYSA-N |
CC(=O)NCc1ccc2[nH]ncc2c1; CC(=O)NCc1ccc2 c(c1)cn[nH]2 |
~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide |
| 30370 | N9G CHEMBL4636795 |
1 | C21 H22 N6 O2 | InChI=1S/C21H22N6O2/c1-26 (2)19(28)14-3-6-17(24-12- 14)25-18-11-16(7-9-23-18) 27-10-8-21(13-22,20(27)29 )15-4-5-15/h3,6-7,9,11-12 ,15H,4-5,8,10H2,1-2H3,(H, 23,24,25)/t21-/m1/s1; CFHPNFDEUWSEIR-OAQYLSRUSA-N |
CN(C)C(=O)c1ccc(Nc2cc(ccn2)N3CC[C@@](C#N )(C4CC4)C3=O)nc1; C(N(C)C)(c1ccc(nc1)Nc4 cc(N3C(C(C2CC2)(C#N)CC3)=O)ccn4)=O; CN(C )C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CCC(C3=O)(C #N)C4CC4; CN(C)C(=O)c1ccc(Nc2cc(ccn2)N3C C[C](C#N)(C4CC4)C3=O)nc1; CN(C)C(=O)c1cc c(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4C C4 |
6-({4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyridin-2-yl}amino)-N,N-dimethylpyridine-3-carboxamide |
| 30371 | N9H DB08250 ZINC000036184659 |
2 | C21 H24 F2 N4 O | InChI=1S/C21H24F2N4O/c1-2 -25-20(28)27-21(11-6-12-2 4,15-7-4-3-5-8-15)14-19(2 6-27)17-13-16(22)9-10-18( 17)23/h3-5,7-10,13H,2,6,1 1-12,14,24H2,1H3,(H,25,28 )/t21-/m0/s1; OQMVLDZJPRSNOG-NRFANRHFSA-N |
CCNC(=O)N1[C@](CC(=N1)c2cc(ccc2F)F)(CCCN )c3ccccc3; CCNC(=O)N1N=C(C[C@@]1(CCCN)c2 ccccc2)c3cc(F)ccc3F; CCNC(=O)N1N=C(C[C]1 (CCCN)c2ccccc2)c3cc(F)ccc3F; O=C(NCC)N2N =C(c1cc(F)ccc1F)CC2(c3ccccc3)CCCN; CCNC( =O)N1C(CC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc 3 |
(5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)-N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDE |
| 30372 | N9I | 1 | C17 H19 N3 O | InChI=1S/C17H19N3O/c1-12- 5-7-18-10-14(12)9-17(21)2 0-16-4-2-3-13-6-8-19-11-1 5(13)16/h2-5,7,10,19H,6,8 -9,11H2,1H3,(H,20,21); IICDEQKQIDLVOQ-UHFFFAOYSA-N |
Cc1ccncc1CC(=O)Nc1cccc2CCNCc21; Cc1ccncc 1CC(=O)Nc2cccc3c2CNCC3; Cc1ccncc1CC(=O)N c2cccc3CCNCc23 |
2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide |
| 30373 | N9J CHEMBL1086896 ZINC000000389485 |
4 | C8 H9 N O3 | InChI=1S/C8H9NO3/c10-8(9- 11)12-6-7-4-2-1-3-5-7/h1- 5,11H,6H2,(H,9,10); PQBSPTAPCMSZAA-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)NO; ONC(=O)OCc1ccccc1; c1cccc(c1)COC(=O)NO |
benzyl hydroxycarbamate |
| 30374 | N9K ZINC000001846559 |
0 | C10 H13 N O3 | InChI=1S/C10H13NO3/c1-11- 9(10(13)14)6-7-2-4-8(12)5 -3-7/h2-5,9,11-12H,6H2,1H 3,(H,13,14)/t9-/m0/s1; AXDLCFOOGCNDST-VIFPVBQESA-N |
CNC(Cc1ccc(cc1)O)C(=O)O; CN[CH](Cc1ccc(O )cc1)C(O)=O; CN[C@@H](Cc1ccc(cc1)O)C(=O) O; CN[C@@H](Cc1ccc(O)cc1)C(O)=O |
(2~{S})-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid |
| 30375 | N9L | 1 | C14 H12 N2 O | InChI=1S/C14H12N2O/c1-2-1 4(17)16-13-10-12(8-9-15-1 3)11-6-4-3-5-7-11/h2-10H, 1H2,(H,15,16,17); UHDREKXLGZSDPE-UHFFFAOYSA-N |
C=CC(=O)Nc1cc(ccn1)c2ccccc2 | ~{N}-(4-phenylpyridin-2-yl)prop-2-enamide |
| 30376 | N9M | 1 | C9 H9 N O5 | InChI=1S/C9H9NO5/c11-8(10 -15-9(12)13)14-6-7-4-2-1- 3-5-7/h1-5H,6H2,(H,10,11) (H,12,13); DUVYLXOFESFFPT-UHFFFAOYSA-N |
OC(=O)ONC(=O)OCc1ccccc1; c1ccc(cc1)COC(= O)NOC(=O)O; c1cccc(c1)COC(=O)NOC(O)=O |
benzyl (carboxyoxy)carbamate |
| 30377 | N9N CHEMBL3182152 ZINC000000507420 |
10 | C13 H10 O5 | InChI=1S/C13H10O5/c14-8-3 -1-7(2-4-8)11(16)9-5-6-10 (15)13(18)12(9)17/h1-6,14 -15,17-18H; ZRDYULMDEGRWRC-UHFFFAOYSA-N |
c1cc(ccc1C(=O)c2ccc(c(c2O)O)O)O; Oc1ccc( cc1)C(=O)c2ccc(O)c(O)c2O |
(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone |
| 30378 | N9O | 2 | C26 H31 N5 O4 S | InChI=1S/C26H31N5O4S/c1-3 0(2)19-11-10-17-22-15(19) 6-5-7-16(22)24(33)31(25(1 7)34)13-12-27-21(32)9-4-3 -8-20-23-18(14-36-20)28-2 6(35)29-23/h5-7,10-11,18, 20,23H,3-4,8-9,12-14H2,1- 2H3,(H,27,32)(H2,28,29,35 )/t18-,20-,23-/m0/s1; WAGQBAHKYBJEAZ-LEDOBFOHSA-N |
CN(C)c1ccc2c3c1cccc3C(=O)N(C2=O)CCNC(=O) CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5; CN( C)c1ccc2C(=O)N(CCNC(=O)CCCC[C@@H]3SC[C@@ H]4NC(=O)N[C@H]34)C(=O)c5cccc1c25; CN(C) c1ccc2C(=O)N(CCNC(=O)CCCC[CH]3SC[CH]4NC( =O)N[CH]34)C(=O)c5cccc1c25; CN(C)c1ccc2c 3c1cccc3C(=O)N(C2=O)CCNC(=O)CCCCC4C5C(CS 4)NC(=O)N5 |
5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[6-(dimethylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethyl]pentanamide |
| 30379 | N9P CHEMBL4249170 ZINC000002385772 |
0 | C8 H10 N2 O2 | InChI=1S/C8H10N2O2/c9-7(8 (11)12)5-6-1-3-10-4-2-6/h 1-4,7H,5,9H2,(H,11,12)/t7 -/m0/s1; FQFVANSXYKWQOT-ZETCQYMHSA-N |
c1cnccc1C[C@@H](C(=O)O)N; N[CH](Cc1ccncc 1)C(O)=O; NC(C(=O)O)Cc1ccncc1; N[C@@H](C c1ccncc1)C(O)=O; c1cnccc1CC(C(=O)O)N |
3-pyridin-4-yl-L-alanine |
| 30380 | N9Q CHEMBL3676150 ZINC000166584770 |
2 | C20 H20 Cl N O5 | InChI=1S/C20H20ClNO5/c21- 16-3-1-2-15(11-16)14-6-4- 13(5-7-14)10-17(12-20(26) 27)22-18(23)8-9-19(24)25/ h1-7,11,17H,8-10,12H2,(H, 22,23)(H,24,25)(H,26,27)/ t17-/m1/s1; ZBGYPMPWJWNWEA-QGZVFWFLSA-N |
c1cc(cc(c1)Cl)c2ccc(cc2)CC(CC(=O)O)NC(=O )CCC(=O)O; c1cc(cc(c1)Cl)c2ccc(cc2)C[C@H ](CC(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC(=O)N [CH](CC(O)=O)Cc1ccc(cc1)c2cccc(Cl)c2; OC (=O)CCC(=O)N[C@@H](CC(O)=O)Cc1ccc(cc1)c2 cccc(Cl)c2 |
4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid |
| 30381 | N9R | 1 | C16 H14 N4 O | InChI=1S/C16H14N4O/c1-3-1 6(21)19-15-8-13(17-10-18- 15)12-9-20(2)14-7-5-4-6-1 1(12)14/h3-10H,1H2,2H3,(H ,17,18,19,21); JXDHZXSSDRPBDG-UHFFFAOYSA-N |
Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13; Cn1 cc(c2c1cccc2)c3cc(ncn3)NC(=O)C=C |
~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide |
| 30382 | N9S | 0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 3-5(15)6(16)9(19)12(22-3) 23-10-4(2-14)21-11(20)8(1 8)7(10)17/h3-20H,1-2H2/t3 -,4-,5-,6+,7-,8-,9-,10-,1 1-,12-/m1/s1; GUBGYTABKSRVRQ-QUYVBRFLSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C @@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO) O)O)O)O; O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O) C(O)C2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O )O)O)CO)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[ C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H] (O)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](O[CH] 2[CH](O)[CH](O)[CH](O)O[CH]2CO)[CH](O)[C H](O)[CH]1O |
4-O-alpha-D-Glucopyranosyl-beta-D-glucopyranose; Beta-Maltose |
| 30383 | N9T CHEMBL4648322 |
1 | C25 H28 N2 O5 | InChI=1S/C25H28N2O5/c1-30 -22-13-18-12-20(25(29)32- 21(18)14-23(22)31-2)27-24 (28)17-9-6-10-19(11-17)26 -15-16-7-4-3-5-8-16/h3-5, 7-8,12-14,17,19,26H,6,9-1 1,15H2,1-2H3,(H,27,28)/t1 7-,19+/m1/s1; UGTGSTDFYWUXNH-MJGOQNOKSA-N |
COc1cc2c(cc1OC)OC(=O)C(=C2)NC(=O)[C@@H]3 CCC[C@@H](C3)NCc4ccccc4; COc1cc2OC(=O)C( =Cc2cc1OC)NC(=O)[CH]3CCC[CH](C3)NCc4cccc c4; COc1cc2OC(=O)C(=Cc2cc1OC)NC(=O)[C@@H ]3CCC[C@@H](C3)NCc4ccccc4; COc1cc2c(cc1O C)OC(=O)C(=C2)NC(=O)C3CCCC(C3)NCc4ccccc4 |
(1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide |
| 30384 | N9U CHEMBL23743 |
4 | C20 H27 N5 O6 | InChI=1S/C20H27N5O6/c1-2- 3-8-30-20(29)24-16(19(27) 28)11-23-17(26)10-14-9-15 (25-31-14)12-4-6-13(7-5-1 2)18(21)22/h4-7,14,16H,2- 3,8-11H2,1H3,(H3,21,22)(H ,23,26)(H,24,29)(H,27,28) /t14-,16+/m1/s1; SRRJCHGGTPFZSS-ZBFHGGJFSA-N |
O=C(O)C(NC(=O)OCCCC)CNC(=O)CC1CC(=NO1)c1 ccc(cc1)C(=N)N; [H]/N=C(\c1ccc(cc1)C2=NO [C@H](C2)CC(=O)NC[C@@H](C(=O)O)NC(=O)OCC CC)/N; CCCCOC(=O)N[CH](CNC(=O)C[CH]1CC(= NO1)c2ccc(cc2)C(N)=N)C(O)=O; CCCCOC(=O)N [C@@H](CNC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)C (N)=N)C(O)=O; CCCCOC(=O)NC(CNC(=O)CC1CC( =NO1)c2ccc(cc2)C(=N)N)C(=O)O |
Roxifiban; N-(butoxycarbonyl)-3-{2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamido}-L-alanine |
| 30385 | N9V | 4 | C26 H40 N7 O19 P3 S | InChI=1S/C26H40N7O19P3S/c 1-4-13(24(38)39)25(40)56- 8-7-28-15(34)5-6-29-22(37 )19(36)26(2,3)10-49-55(46 ,47)52-54(44,45)48-9-14-1 8(51-53(41,42)43)17(35)23 (50-14)33-12-32-16-20(27) 30-11-31-21(16)33/h5-6,11 -14,17-19,23,35-36H,4,7-1 0H2,1-3H3,(H,28,34)(H,29, 37)(H,38,39)(H,44,45)(H,4 6,47)(H2,27,30,31)(H2,41, 42,43)/b6-5+/t13-,14+,17+ ,18+,19-,23+/m0/s1; FBYIVOIRCUIQPJ-YWIQEZFGSA-N |
CCC(C(=O)O)C(=O)SCCNC(=O)C=CNC(=O)C(C(C) (C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc 3c2ncnc3N)O)OP(=O)(O)O)O; CCC(C(O)=O)C(S CCNC([C@H]=CNC(C(O)C(COP(=O)(O)OP(=O)(O) OCC3C(C(O)C(n2cnc1c(N)ncnc12)O3)OP(O)(=O )O)(C)C)=O)=O)=O; CC[C@@H](C(=O)O)C(=O)S CCNC(=O)/C=C/NC(=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; CC[CH] (C(O)=O)C(=O)SCCNC(=O)C=CNC(=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)ncnc 23; CC[C@@H](C(O)=O)C(=O)SCCNC(=O)/C=C/N C(=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)ncnc23 |
5'-O-[(S)-{[(S)-[(3R)-4-({(1E)-3-[(2-{[(2S)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) |
| 30386 | N9W CHEMBL2018302 ZINC000051951670 |
2 | C20 H21 N3 O2 | InChI=1S/C20H21N3O2/c1-22 -11-10-19-17(13-22)16-4-2 -3-5-18(16)23(19)12-14-6- 8-15(9-7-14)20(24)21-25/h 2-9,25H,10-13H2,1H3,(H,21 ,24); GOVYBPLHWIEHEJ-UHFFFAOYSA-N |
CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1 ; CN1CCc2n(Cc3ccc(cc3)C(=O)NO)c4ccccc4c2 C1 |
4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide |
| 30387 | N9X | 1 | C22 H27 N3 O7 S | InChI=1S/C22H27N3O7S/c1-1 0-17(15(9-26)11(2)27)25-1 8(22(31)32)19(10)33-14-7- 16(23-8-14)20(28)24-13-5- 3-12(4-6-13)21(29)30/h3-6 ,9-11,14-17,19,23,27H,7-8 H2,1-2H3,(H,24,28)(H,29,3 0)(H,31,32)/t10-,11-,14+, 15-,16-,17-,19-/m1/s1; AKERAHWFSYYFHP-OIROVCEBSA-N |
C[C@H]1[C@H](C(=N[C@H]1[C@H](C=O)[C@@H]( C)O)C(=O)O)S[C@H]2C[C@@H](NC2)C(=O)Nc3cc c(cc3)C(=O)O; C[CH](O)[CH](C=O)[CH]1N=C( [CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O )=O)[CH]1C)C(O)=O; C[C@@H](O)[C@@H](C=O) [C@@H]1N=C([C@H](S[C@@H]2CN[C@H](C2)C(=O )Nc3ccc(cc3)C(O)=O)[C@@H]1C)C(O)=O; CC1C (C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O )Nc3ccc(cc3)C(=O)O |
Ertapenem; (3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid |
| 30388 | N9Y CHEMBL4466084 |
2 | C20 H29 N5 O4 | InChI=1S/C20H29N5O4/c26-1 4-24(29)13-16(12-15-6-1-2 -7-15)20(28)25-17(8-5-11- 22-25)19(27)23-18-9-3-4-1 0-21-18/h3-4,9-10,14-17,2 2,29H,1-2,5-8,11-13H2,(H, 21,23,27)/t16-,17+/m1/s1; IGYIJLMSSQSKHF-SJORKVTESA-N |
ON(C[CH](CC1CCCC1)C(=O)N2NCCC[CH]2C(=O)N c3ccccn3)C=O; c1ccnc(c1)NC(=O)C2CCCNN2C( =O)C(CC3CCCC3)CN(C=O)O; c1ccnc(c1)NC(=O) [C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O) O; ON(C[C@@H](CC1CCCC1)C(=O)N2NCCC[C@H]2 C(=O)Nc3ccccn3)C=O; C(N(C=O)O)C(CC1CCCC1 )C(N2C(CCCN2)C(=O)Nc3ccccn3)=O |
(3S)-2-{(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl}-N-(pyridin-2-yl)hexahydropyridazine-3-carboxamide |
| 30389 | N9Z CHEMBL5179237 |
2 | C17 H18 N8 | InChI=1S/C17H18N8/c1-17(6 -7-17)24-15-14-13(4-3-11( 20-14)5-8-18)22-16(23-15) 21-12-9-19-25(2)10-12/h3- 4,9-10H,5-7H2,1-2H3,(H2,2 1,22,23,24); JFENAOLGJWVSCK-UHFFFAOYSA-N |
Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)c n1; CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4 cnn(c4)C |
2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile |
| 30390 | NA DB14516 |
1066 | Na | InChI=1S/Na/q+1; FKNQFGJONOIPTF-UHFFFAOYSA-N |
[Na+] | SODIUM ION |
| 30391 | NA0 | 4 | C22 H29 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)/t12-,13-,15+,16+,17+, 18+,21+,22+/m0/s1; CWZSJEPJRFQEBR-SIEFPTHMSA-N |
CC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-] )(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O )(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[C H]2O; CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C @@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O )(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5 c4ncnc5N)OP(=O)(O)O)O)O)O; 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; CC(=O)c1ccc[n+](c1)[C@@H]2O[C@@H](C O[P]([O-])(=O)O[P](O)(=O)OC[C@@H]3O[C@H] ([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)n cnc45)[C@@H](O)[C@H]2O |
3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE PHOSPHATE; [[(2S,3R,4R,5R)-5-(6-AMINOPURIN-9-YL)-3-HYDROXY-4-PHOSPHONOOXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] [(2S,3S,4R,5R)-5-(3-ETHANOYLPYRIDIN-1-IUM-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL PHOSPHATE |
| 30392 | NA1 | 4 | C9 H17 N O6 | InChI=1S/C9H17NO6/c1-4(11 )10-6-8(13)7(12)5(3-15-2) 16-9(6)14/h5-9,12-14H,3H2 ,1-2H3,(H,10,11)/t5-,6-,7 -,8+,9?/m1/s1; KDTVUHXJRZVEIF-NBTWYFBKSA-N |
CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@@H ]1O)COC)O)O; CC(=O)NC1C(C(C(OC1O)COC)O)O ; COC[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[C H]1O; COC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C @H](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO C)C |
2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose; METHYL N-ACETYL ALLOSAMINE; 2-(ACETYLAMINO)-2-DEOXY-6-O-METHYL-ALPHA-D-ALLOPYRANOSE; 2-acetamido-2-deoxy-6-O-methyl-alpha-D-allose; 2-acetamido-2-deoxy-6-O-methyl-D-allose; 2-acetamido-2-deoxy-6-O-methyl-allose |
| 30393 | NA2 | 0 | H4 Na O2 | InChI=1/Na.2H2O/h;2*1H2/q -1;;/rH4NaO2/c2-1-3/h2-3H 2/q-1; NYWRVCJSTPGLAV-VUTWDPKAAD |
[OH2-][Na+][OH2-] | SODIUM ION, 2 WATER COORDINATED |
| 30394 | NA3 CHEMBL67955 ZINC000000009008 |
2 | C10 H9 Br N2 O4 | InChI=1S/C10H9BrN2O4/c11- 7-1-6(3-12-4-7)10(17)13-8 (5-14)2-9(15)16/h1,3-5,8H ,2H2,(H,13,17)(H,15,16)/t 8-/m0/s1; FBMPVEGAIMRCBG-QMMMGPOBSA-N |
c1c(cncc1Br)C(=O)NC(CC(=O)O)C=O; c1c(cnc c1Br)C(=O)N[C@@H](CC(=O)O)C=O; OC(=O)C[C H](NC(=O)c1cncc(Br)c1)C=O; OC(=O)C[C@H]( NC(=O)c1cncc(Br)c1)C=O; O=C(c1cncc(Br)c1 )NC(C=O)CC(=O)O |
(3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID |
| 30395 | NA4 CHEMBL310554 DB08251 ZINC000000026888 |
4 | C17 H14 N2 O6 | InChI=1S/C17H14N2O6/c20-9 -14(6-15(21)22)19-16(23)1 3-5-12(7-18-8-13)10-1-3-1 1(4-2-10)17(24)25/h1-5,7- 9,14H,6H2,(H,19,23)(H,21, 22)(H,24,25)/t14-/m0/s1; JNRAPROKLOUIRA-AWEZNQCLSA-N |
O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)c c1)c2; OC(=O)C[CH](NC(=O)c1cncc(c1)c2ccc (cc2)C(O)=O)C=O; c1cc(ccc1c2cc(cnc2)C(=O )NC(CC(=O)O)C=O)C(=O)O; OC(=O)C[C@H](NC( =O)c1cncc(c1)c2ccc(cc2)C(O)=O)C=O; c1cc( ccc1c2cc(cnc2)C(=O)N[C@@H](CC(=O)O)C=O)C (=O)O |
4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID |
| 30396 | NA5 | 0 | H10 Na O5 | InChI=1/Na.5H2O/h;5*1H2/q -4;;;;;/rH10NaO5/c2-1(3,4 ,5)6/h2-6H2/q-4; ZIONRWJDYJRHOS-GWJQXBJQAN |
[OH2-][Na+]([OH2-])([OH2-])([OH2-])[OH2- ] |
SODIUM ION, 5 WATERS COORDINATED |
| 30397 | NA6 | 0 | H12 Na O6 | InChI=1/Na.6H2O/h;6*1H2/q -5;;;;;;/rH12NaO6/c2-1(3, 4,5,6)7/h2-7H2/q-5; ZAHMTDNTTBKIQR-FHEHRGSWAM |
[OH2-][Na+]([OH2-])([OH2-])([OH2-])([OH2 -])[OH2-] |
SODIUM ION, 6 WATERS COORDINATED |
| 30398 | NA7 ZINC000058661303 |
13 | C15 H24 N5 O16 P3 | InChI=1S/C15H24N5O16P3/c1 6-13-9-14(18-4-17-13)20(5 -19-9)15-12(35-37(24,25)2 6)11(23)8(34-15)3-33-39(2 9,30)36-38(27,28)32-2-7-1 0(22)6(21)1-31-7/h4-8,10- 12,15,21-23H,1-3H2,(H,27, 28)(H,29,30)(H2,16,17,18) (H2,24,25,26)/t6-,7+,8+,1 0-,11+,12+,15+/m0/s1; XDDBFIXGEVGCEU-AOOZFPJJSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H ]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N; Nc 1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(= O)O[P@](O)(=O)OC[C@H]4OC[C@H](O)[C@@H]4O )[C@@H](O)[C@H]3O[P](O)(O)=O; c1nc(c2c(n 1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC C4C(C(CO4)O)O)O)OP(=O)(O)O)N; O=P(O)(OCC 1OCC(O)C1O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc2 3)N)C(OP(=O)(O)O)C4O; Nc1ncnc2n(cnc12)[C H]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O C[CH](O)[CH]4O)[CH](O)[CH]3O[P](O)(O)=O |
[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4S)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE |
| 30399 | NA8 | 0 | C13 H14 N O2 | InChI=1S/C13H13NO2/c14-12 (13(15)16)8-9-5-6-10-3-1- 2-4-11(10)7-9/h1-7,12H,8, 14H2,(H,15,16)/p+1/t12-/m 0/s1; JPZXHKDZASGCLU-LBPRGKRZSA-O |
O=C(O)C([NH3+])Cc2ccc1c(cccc1)c2; [NH3+] [C@@H](Cc1ccc2ccccc2c1)C(O)=O; c1ccc2cc( ccc2c1)CC(C(=O)O)[NH3+]; c1ccc2cc(ccc2c1 )C[C@@H](C(=O)O)[NH3+]; [NH3+][CH](Cc1cc c2ccccc2c1)C(O)=O |
(1S)-1-CARBOXY-2-NAPHTHALEN-2-YLETHANAMINIUM |
| 30400 | NA9 CHEMBL208262 ZINC000016051758 |
1 | C22 H34 N6 O4 | InChI=1S/C22H34N6O4/c1-14 (21(31)27-12-16-8-9-17(20 (23)24)25-11-16)28(2)22(3 2)18(26-13-19(29)30)10-15 -6-4-3-5-7-15/h8-9,11,14- 15,18,26H,3-7,10,12-13H2, 1-2H3,(H3,23,24)(H,27,31) (H,29,30)/t14-,18+/m0/s1; XVBUQSSETBYPJB-KBXCAEBGSA-N |
C[CH](N(C)C(=O)[CH](CC1CCCCC1)NCC(O)=O)C (=O)NCc2ccc(nc2)C(N)=N; [H]/N=C(\c1ccc(c n1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCC CC2)NCC(=O)O)/N; C[C@H](N(C)C(=O)[C@@H]( CC1CCCCC1)NCC(O)=O)C(=O)NCc2ccc(nc2)C(N) =N; [H]N=C(c1ccc(cn1)CNC(=O)C(C)N(C)C(=O )C(CC2CCCCC2)NCC(=O)O)N; O=C(O)CNC(C(=O) N(C)C(C(=O)NCc1cnc(C(=[N@H])N)cc1)C)CC2C CCCC2 |
N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE; 2-((R)-1-(((S)-1-((6-CARBAMIMIDOYLPYRIDIN-3-YL)METHYLAMINO)-1-OXOPROPAN-2-YL)(METHYL)AMINO)-3-CYCLOHEXYL-1-OXOPROPAN-2- YLAMINO)ACETIC ACID |