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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 30401 | NAA DB03109 ZINC000005883957 |
0 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6-,7 +,8-/m1/s1; OVRNDRQMDRJTHS-UIAUGNHASA-N |
CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H] 1O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[ CH](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H ](CO)[C@@H](O)[C@H]1O; O=C(NC1C(O)C(O)C( OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O |
2-acetamido-2-deoxy-beta-D-allopyranose; N-acetyl-beta-D-allosamine; 2-acetamido-2-deoxy-beta-D-allose; 2-acetamido-2-deoxy-D-allose; 2-acetamido-2-deoxy-allose; N-ACETYL-D-ALLOSAMINE |
| 30402 | NAB DB08252 ZINC000004954387 |
2 | C17 H12 N2 O3 | InChI=1S/C17H12N2O3/c20-1 6-10-9-15(11-5-1-2-6-12(1 1)16)19-18-14-8-4-3-7-13( 14)17(21)22/h1-10,20H,(H, 21,22)/b19-18+; SXAUIPSOPPASFY-VHEBQXMUSA-N |
OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23; O=C( O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2; c1ccc2 c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O; c1ccc2c( c1)c(ccc2O)/N=N/c3ccccc3C(=O)O |
2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID |
| 30403 | NAC | 0 | C22 H28 N6 O14 P2 | InChI=1/C22H28N6O14P2/c1- 10(29)11-3-2-4-27(5-11)21 -17(32)15(30)12(40-21)6-3 8-43(34,35)42-44(36,37)39 -7-13-16(31)18(33)22(41-1 3)28-9-26-14-19(23)24-8-2 5-20(14)28/h2-5,8-9,12-13 ,15-18,21-22,30-33H,6-7H2 ,1H3,(H3-,23,24,25,34,35, 36,37)/t12-,13-,15-,16-,1 7-,18-,21-,22-/m1/s1/f/h3 6H,23H2; KPVQNXLUPNWQHM-XEBFETGLDF |
CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O -])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N) O)O)O)O; 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)n4c nc5c4ncnc5N)O)O)O)O; CC(=O)c1ccc[n+](c1) [CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[ CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45 )[CH](O)[CH]2O; CC(=O)c1ccc[n+](c1)[C@@H ]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[ C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)n cnc45)[C@@H](O)[C@H]2O |
3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE |
| 30404 | NAD CHEMBL1234613 DB14128 |
6559 | C21 H27 N7 O14 P2 | InChI=1S/C21H27N7O14P2/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(32)14(30)11 (41-21)6-39-44(36,37)42-4 3(34,35)38-5-10-13(29)15( 31)20(40-10)27-3-1-2-9(4- 27)18(23)33/h1-4,7-8,10-1 1,13-16,20-21,29-32H,5-6H 2,(H5-,22,23,24,25,33,34, 35,36,37)/t10-,11-,13-,14 -,15-,16-,20-,21-/m1/s1; BAWFJGJZGIEFAR-NNYOXOHSSA-N |
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([ O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H] (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)( [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5 N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]( [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@]( =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c nc5c4ncnc5N)O)O)O)O)C(=O)N |
NICOTINAMIDE-ADENINE-DINUCLEOTIDE |
| 30405 | NAE DB02732 |
9 | C24 H31 N7 O15 P2 | InChI=1S/C24H31N7O15P2/c1 -10(32)4-11-2-3-30(5-12(1 1)21(26)37)23-18(35)16(33 )13(44-23)6-42-47(38,39)4 6-48(40,41)43-7-14-17(34) 19(36)24(45-14)31-9-29-15 -20(25)27-8-28-22(15)31/h 2-3,5,8-9,13-14,16-19,23- 24,33-36H,4,6-7H2,1H3,(H5 -,25,26,27,28,37,38,39,40 ,41)/t13-,14-,16-,17-,18- ,19-,23-,24-/m1/s1; SGHBFOOIAAJJMI-YDKVLQLQSA-N |
CC(=O)Cc1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP (=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4 ncnc5N)O)O)O)O; CC(=O)Cc1cc[n+](cc1C(=O) N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](= O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H ]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; CC(= O)Cc1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([ O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[ CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC (=O)Cc1cc[n+](cc1C(N)=O)[C@@H]2O[C@H](CO [P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]( [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H] (O)[C@H]2O |
NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT |
| 30406 | NAF DB03359 ZINC000003873189 |
3 | C11 H15 F3 N O2 | InChI=1S/C11H15F3NO2/c1-1 5(2,3)9-6-4-5-8(7-9)10(16 ,17)11(12,13)14/h4-7,16-1 7H,1-3H3/q+1; KGVDBJQLTHWAJF-UHFFFAOYSA-N |
C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O; C[ N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F; FC(F )(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C |
M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE |
| 30407 | NAG CHEMBL447878 ZINC000003983907 |
75 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6-,7 -,8-/m1/s1; OVRNDRQMDRJTHS-FMDGEEDCSA-N |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1 O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[C H](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H] (CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)C( OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O |
2-acetamido-2-deoxy-beta-D-glucopyranose; N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE |
| 30408 | NAH | 0 | C21 H27 N7 O14 P2 | InChI=1/C21H27N7O14P2/c22 -17-12-19(25-7-24-17)28(8 -26-12)21-16(32)14(30)11( 41-21)6-39-44(36,37)42-43 (34,35)38-5-10-13(29)15(3 1)20(40-10)27-3-1-2-9(4-2 7)18(23)33/h1-4,7-8,10-11 ,13-16,20-21,29-32H,5-6H2 ,(H5-,22,23,24,25,33,34,3 5,36,37)/t10-,11-,13-,14- ,15-,16-,20-,21-/m1/s1/f/ h36H,22-23H2; BAWFJGJZGIEFAR-GLKVDMMMDQ |
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([ O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H] (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)( [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5 N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]( [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@]( =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c nc5c4ncnc5N)O)O)O)O)C(=O)N |
NICOTINAMIDE-ADENINE-DINUCLEOTIDE |
| 30409 | NAI CHEMBL1234616 DB00157 ZINC000008215403 |
1242 | C21 H29 N7 O14 P2 | InChI=1S/C21H29N7O14P2/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(32)14(30)11 (41-21)6-39-44(36,37)42-4 3(34,35)38-5-10-13(29)15( 31)20(40-10)27-3-1-2-9(4- 27)18(23)33/h1,3-4,7-8,10 -11,13-16,20-21,29-32H,2, 5-6H2,(H2,23,33)(H,34,35) (H,36,37)(H2,22,24,25)/t1 0-,11-,13-,14-,15-,16-,20 -,21-/m1/s1; BOPGDPNILDQYTO-NNYOXOHSSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N) O)O)O)O)N; NC(=O)C1=CN(C=CC1)[C@@H]2O[C@ H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C @@H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)[C@H]3 [C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@ @](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4) N5C=CCC(=C5)C(=O)N)O)O)O)O)N; NC(=O)C1=C N(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(= O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n cnc45)[CH](O)[CH]2O |
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE; NADH |
| 30410 | NAJ CHEMBL1234613 DB14128 |
96 | C21 H27 N7 O14 P2 | InChI=1S/C21H27N7O14P2/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(32)14(30)11 (41-21)6-39-44(36,37)42-4 3(34,35)38-5-10-13(29)15( 31)20(40-10)27-3-1-2-9(4- 27)18(23)33/h1-4,7-8,10-1 1,13-16,20-21,29-32H,5-6H 2,(H5-,22,23,24,25,33,34, 35,36,37)/t10-,11-,13-,14 -,15-,16-,20-,21-/m1/s1; BAWFJGJZGIEFAR-NNYOXOHSSA-N |
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP (=O)([O-])OCC3C(C(C(O3)n4cnc5c4nc[nH+]c5 N)O)O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C @@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O) ([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c nc5c4nc[nH+]c5N)O)O)O)O)C(=O)N; NC(=O)c1 ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O) O[P]([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@ @H]3O)n4cnc5c(N)[nH+]cnc45)[C@@H](O)[C@H ]2O; NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P] ([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH ](O)[CH]3O)n4cnc5c(N)[nH+]cnc45)[CH](O)[ CH]2O |
NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) |
| 30411 | NAK DB04212 |
4 | C3 H5 N O2 | InChI=1S/C3H5NO2/c1-2(4)3 (5)6/h4H,1H3,(H,5,6); DUAWRLXHCUAWMK-UHFFFAOYSA-N |
CC(=[NH2+])C(=O)[O-]; CC(=[NH2+])C([O-]) =O; [O-]C(=O)\C(=[NH2+])C |
AMINO-ACRYLATE; 2-IMINIOPROPANOATE |
| 30412 | NAL CHEMBL1234619 DB01766 ZINC000000128256 |
2 | C13 H13 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)/t12-/m0/s1; JPZXHKDZASGCLU-LBPRGKRZSA-N |
O=C(O)C(N)Cc2ccc1c(cccc1)c2; c1ccc2cc(cc c2c1)C[C@@H](C(=O)O)N; N[C@@H](Cc1ccc2cc ccc2c1)C(O)=O; c1ccc2cc(ccc2c1)CC(C(=O)O )N; N[CH](Cc1ccc2ccccc2c1)C(O)=O |
BETA-(2-NAPHTHYL)-ALANINE |
| 30413 | NAM | 0 | C13 H14 N2 O | InChI=1S/C13H14N2O/c14-12 (13(15)16)8-10-6-3-5-9-4- 1-2-7-11(9)10/h1-7,12H,8, 14H2,(H2,15,16)/t12-/m0/s 1; DGFMSNJYBBNHCX-LBPRGKRZSA-N |
N[C@@H](Cc1cccc2ccccc12)C(N)=O; N[CH](Cc 1cccc2ccccc12)C(N)=O; c1ccc2c(c1)cccc2CC (C(=O)N)N; c1ccc2c(c1)cccc2C[C@@H](C(=O) N)N; O=C(N)C(N)Cc2cccc1ccccc12 |
NAM NAPTHYLAMINOALANINE |
| 30414 | NAN | 0 | C11 H19 N O9 | InChI=1/C11H19NO9/c1-4(14 )12-7-5(15)2-11(20,10(18) 19)21-9(7)8(17)6(16)3-13/ h5-9,13,15-17,20H,2-3H2,1 H3,(H,12,14)(H,18,19)/t5- ,6+,7+,8+,9+,11+/m0/s1/f/ h12,18H; SQVRNKJHWKZAKO-LQVDXEQVDP |
CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O) [CH](O)CO)C(O)=O; CC(=O)NC1C(CC(OC1C(C(C O)O)O)(C(=O)O)O)O; CC(=O)N[C@@H]1[C@H](C [C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O) O)O)O; O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O) C)C(O)C1; CC(=O)N[C@@H]1[C@@H](O)C[C@@]( O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
5-N-ACETYL-ALPHA-D-NEURAMINIC ACID |
| 30415 | NAO | 0 | H2 Na O | InChI=1/Na.H2O/h;1H2/rH2N aO/c1-2/h2H2; NASFKTWZWDYFER-YMMUHFJBAE |
[OH2-][Na+] | SODIUM ION, 1 WATER COORDINATED |
| 30416 | NAP CHEMBL295069 DB03461 |
4444 | C21 H28 N7 O17 P3 | InChI=1S/C21H28N7O17P3/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(44-46(33,34 )35)14(30)11(43-21)6-41-4 8(38,39)45-47(36,37)40-5- 10-13(29)15(31)20(42-10)2 7-3-1-2-9(4-27)18(23)32/h 1-4,7-8,10-11,13-16,20-21 ,29-31H,5-6H2,(H7-,22,23, 24,25,32,33,34,35,36,37,3 8,39)/t10-,11-,13-,14-,15 -,16-,20-,21-/m1/s1; XJLXINKUBYWONI-NNYOXOHSSA-N |
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O )(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[ CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[C H]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5 c(N)ncnc45)[CH](O)[CH]2O; NC(=O)c1ccc[n+ ](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@] (O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O )[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H ]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([ C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[ C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc 5N)OP(=O)(O)O)O)O)O)C(=O)N |
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE; 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE |
| 30417 | NAQ DB04421 |
2 | C26 H35 N7 O15 P2 | InChI=1S/C26H35N7O15P2/c1 -3-14(34)11(2)12-4-5-32(6 -13(12)23(28)39)25-20(37) 18(35)15(46-25)7-44-49(40 ,41)48-50(42,43)45-8-16-1 9(36)21(38)26(47-16)33-10 -31-17-22(27)29-9-30-24(1 7)33/h4-6,9-11,15-16,18-2 1,25-26,35-38H,3,7-8H2,1- 2H3,(H5-,27,28,29,30,39,4 0,41,42,43)/t11-,15+,16+, 18+,19+,20+,21+,25+,26+/m 0/s1; BZJFKYRGSZWSLT-YLIVDTKOSA-N |
CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H] 2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-] )O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H ](O3)n4cnc5c4ncnc5N)O)O)O)O; CCC(=O)[CH] (C)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([ O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[ CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC C(=O)C(C)c1cc[n+](cc1C(=O)N)C2C(C(C(O2)C OP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5 c4ncnc5N)O)O)O)O; CCC(=O)[C@@H](C)c1cc[n +](cc1C(N)=O)[C@@H]2O[C@H](CO[P]([O-])(= O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@ @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O |
NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT |
| 30418 | NAR CHEMBL9352 DB03467 ZINC000000156701 |
53 | C15 H12 O5 | InChI=1S/C15H12O5/c16-9-3 -1-8(2-4-9)13-7-12(19)15- 11(18)5-10(17)6-14(15)20- 13/h1-6,13,16-18H,7H2/t13 -/m0/s1; FTVWIRXFELQLPI-ZDUSSCGKSA-N |
c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O; Oc1 ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2; c1c c(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O; O =C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O; Oc1c cc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 |
NARINGENIN |
| 30419 | NAS CHEMBL1234624 DB08254 ZINC000001554037 |
0 | C10 H8 O3 S | InChI=1S/C10H8O3S/c11-14( 12,13)10-6-5-8-3-1-2-4-9( 8)7-10/h1-7H,(H,11,12,13); KVBGVZZKJNLNJU-UHFFFAOYSA-N |
c1ccc2cc(ccc2c1)S(=O)(=O)O; O=S(=O)(O)c2 ccc1c(cccc1)c2; O[S](=O)(=O)c1ccc2ccccc2 c1 |
2-NAPHTHALENESULFONIC ACID |
| 30420 | NAT CHEMBL254432 DB04331 ZINC000004425506 |
4 | C14 H16 N2 O3 S | InChI=1S/C14H16N2O3S/c1-3 -19-13(18)11-8(2)15-14(20 )16-12(11)9-5-4-6-10(17)7 -9/h4-7,12,17H,3H2,1-2H3, (H2,15,16,20)/t12-/m0/s1; LOBCDGHHHHGHFA-LBPRGKRZSA-N |
CCOC(=O)C1=C(C)NC(=S)N[CH]1c2cccc(O)c2; CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C; CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C; CC OC(=O)C1=C(C)NC(=S)N[C@H]1c2cccc(O)c2; S =C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC |
ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE; MONASTROL |
| 30421 | NAU ZINC000033769327 |
1 | C11 H21 N O9 | InChI=1S/C11H21NO9/c1-5(1 4)12-10(9(19)8(18)6(15)4- 13)11(20,21)3-2-7(16)17/h 6,8-10,13,15,18-21H,2-4H2 ,1H3,(H,12,14)(H,16,17)/t 6-,8-,9+,10+/m1/s1; LNLFFPBOMACCNX-PRQTWWFRSA-N |
CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)C O)C(O)(O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([ C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O; C C(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)( O)CCC(O)=O; O=C(NC(C(O)(O)CCC(=O)O)C(O)C (O)C(O)CO)C; CC(=O)NC(C(C(C(CO)O)O)O)C(C CC(=O)O)(O)O |
4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID |
| 30422 | NAV ZINC000033769331 |
1 | C11 H19 N O8 | InChI=1S/C11H19NO8/c1-5(1 4)12-9(6(15)2-3-8(17)18)1 1(20)10(19)7(16)4-13/h7,9 -11,13,16,19-20H,2-4H2,1H 3,(H,12,14)(H,17,18)/t7-, 9-,10-,11-/m1/s1; IZVFSUJQAOHESA-QCNRFFRDSA-N |
CC(=O)NC(C(C(C(CO)O)O)O)C(=O)CCC(=O)O; C C(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO )C(=O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([C@@ H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O; CC(=O) N[CH]([CH](O)[CH](O)[CH](O)CO)C(=O)CCC(O )=O; O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O) CO |
6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID |
| 30423 | NAW | 0 | H6 Na O3 | InChI=1/Na.3H2O/h;3*1H2/q -2;;;/rH6NaO3/c2-1(3)4/h2 -4H2/q-2; VZLNGZPHSOIKER-BJIWCTOXAB |
[OH2-][Na+]([OH2-])[OH2-] | SODIUM ION, 3 WATERS COORDINATED |
| 30424 | NAX ZINC000008219662 |
8 | C21 H31 N7 O15 P2 | InChI=1S/C21H31N7O15P2/c2 2-17-12-19(25-6-24-17)28( 7-26-12)21-16(33)14(31)10 (42-21)5-40-45(37,38)43-4 4(35,36)39-4-9-13(30)15(3 2)20(41-9)27-3-8(18(23)34 )1-2-11(27)29/h3,6-7,9-11 ,13-16,20-21,29-33H,1-2,4 -5H2,(H2,23,34)(H,35,36)( H,37,38)(H2,22,24,25)/t9- ,10-,11+,13-,14-,15-,16-, 20-,21-/m1/s1; IDBZKGQRLBFUFQ-VPHRTNKSSA-N |
NC(=O)C1=CN([CH](O)CC1)[CH]2O[CH](CO[P]( O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH ]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(= O)C1=CN([C@@H](O)CC1)[C@@H]2O[C@H](CO[P@ ](O)(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H] (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C @H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP( =O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C(CCC5O) C(=O)N)O)O)O)O)N; c1nc(c2c(n1)n(cn2)[C@H ]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[ P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4 )N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N |
BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE |
| 30425 | NAY ZINC000002043009 |
2 | C11 H19 N O8 | InChI=1S/C11H19NO8/c1-5(1 4)12-6(2-3-7(15)11(19)20) 9(17)10(18)8(16)4-13/h6,8 -10,13,16-18H,2-4H2,1H3,( H,12,14)(H,19,20)/t6-,8-, 9-,10-/m1/s1; HWTGNSKUIIUDOU-PEBGCTIMSA-N |
CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]( [C@@H](CO)O)O)O; CC(=O)N[C@H](CCC(=O)C(O )=O)[C@@H](O)[C@H](O)[C@H](O)CO; O=C(O)C (=O)CCC(NC(=O)C)C(O)C(O)C(O)CO; CC(=O)N[ CH](CCC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)C O; CC(=O)NC(CCC(=O)C(=O)O)C(C(C(CO)O)O)O |
6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID |
| 30426 | NAZ ZINC000033922568 |
0 | C24 H25 N7 O3 | InChI=1S/C24H25N7O3/c1-15 -2-3-16-5-8-19(30-23(16)2 7-15)29-22(34)11-13-25-12 -10-20(32)26-14-18-7-4-17 -6-9-21(33)31-24(17)28-18 /h2-9,25H,10-14H2,1H3,(H, 26,32)(H,28,31,33)(H,27,2 9,30,34); BWINWCKASXYPFA-UHFFFAOYSA-N |
Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc 4c(n3)NC(=O)C=C4; Cc1ccc2ccc(NC(=O)CCNCC C(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1; O=C(Nc 1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC (=O)N3)cc4 |
N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE; NAPHTYRIDINE-AZAQUINOLONE |
| 30427 | NB0 ZINC000016527105 |
1 | C20 H18 F N3 O2 | InChI=1S/C20H18FN3O2/c21- 16-6-2-4-8-18(16)23-9-11- 24(12-10-23)20(26)15-13-1 9(25)22-17-7-3-1-5-14(15) 17/h1-8,13H,9-12H2,(H,22, 25); ONQQLMKVMVPYKH-UHFFFAOYSA-N |
Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4cccc c34; O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c 1ccccc1F; c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3 CCN(CC3)c4ccccc4F |
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one |
| 30428 | NB1 CHEMBL1213604 DB08255 ZINC000016052203 |
2 | C10 H17 N O4 S | InChI=1S/C10H17NO4S/c1-2- 3-6-11-7-9(14)8(13)5(4-12 )15-10(7)16-6/h5,7-10,12- 14H,2-4H2,1H3/t5-,7-,8-,9 -,10-/m1/s1; QWOPEBCGKASVQP-QXOHVQIXSA-N |
CCCC1=NC2C(C(C(OC2S1)CO)O)O; CCCC1=N[C@@ H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O; CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C O)O[C@@H]2S1; N1=C(SC2OC(C(O)C(O)C12)CO) CCC; CCCC1=N[CH]2[CH](O)[CH](O)[CH](CO)O [CH]2S1 |
(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL |
| 30429 | NB2 | 1 | C33 H56 N6 O6 S | InChI=1S/C33H56N6O6S/c1-3 0(2,3)25(37-29(43)38-33(1 3-10-9-11-14-33)19-46(44, 45)31(4,5)6)28(42)39-18-2 2-23(32(22,7)8)24(39)27(4 1)36-21(17-34)16-20-12-15 -35-26(20)40/h17,20-25,34 H,9-16,18-19H2,1-8H3,(H,3 5,40)(H,36,41)(H2,37,38,4 3)/b34-17-/t20-,21-,22-,2 3-,24-,25+/m0/s1; RXHKWDZUWDFTBO-TWNGUQAKSA-N |
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3 (CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CC NC4=O)C=N)C; CC1(C)C2C(C(=O)NC(C=N)CC3CC NC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O) C(C)(C)C)CCCCC1)C(C)(C)C; CC(C)(C)[CH](N C(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(= O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCN C4=O)C=N)C3(C)C; [H]/N=C\[C@H](C[C@@H]1C CNC1=O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C )CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4 )CS(=O)(=O)C(C)(C)C; CC(C)(C)[C@H](NC(=O )NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2 C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H] 4CCNC4=O)C=N)C3(C)C |
(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 30430 | NB3 | 1 | C12 H15 N3 O | InChI=1S/C12H15N3O/c1-3-1 2(16)13-8-10-9-6-4-5-7-11 (9)15(2)14-10/h4-7H,3,8H2 ,1-2H3,(H,13,16); DEHXEHSVIKWPOQ-UHFFFAOYSA-N |
CCC(=O)NCc1c2ccccc2n(n1)C; CCC(=O)NCc1nn (C)c2ccccc12 |
~{N}-[(1-methylindazol-3-yl)methyl]propanamide; N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor) |
| 30431 | NB4 | 1 | C22 H36 F N7 O4 | InChI=1S/C22H36FN7O4/c1-1 5-24-20(19(23)21(25-15)29 -7-6-28-8-9-34-13-18(28)1 2-29)26-27-22(32)17(11-30 (33)14-31)10-16-4-2-3-5-1 6/h16-18,31,33H,2-14H2,1H 3,(H,27,32)(H,24,25,26)/t 17-,18+/m1/s1; ZUQCOBLJLUYLKK-MSOLQXFVSA-N |
Cc1nc(c(c(n1)N2CCN3CCOCC3C2)F)NNC(=O)C(C C4CCCC4)CN(CO)O; Cc1nc(NNC(=O)[CH](CC2CC CC2)CN(O)CO)c(F)c(n1)N3CCN4CCOC[CH]4C3; C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOC C3C4)=O)CN(CO)O; Cc1nc(c(c(n1)N2CCN3CCOC [C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO) O; Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)CO)c (F)c(n1)N3CCN4CCOC[C@@H]4C3 |
(2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide |
| 30432 | NB5 CHEMBL5270903 |
2 | C26 H28 F N9 O | InChI=1S/C26H28FN9O/c1-15 -28-9-16(10-29-15)21-19(2 7)6-20-22(33-21)23(37-25( 2)4-5-25)34-24(32-20)31-1 7-11-30-36(12-17)18-7-26( 8-18)13-35(3)14-26/h6,9-1 2,18H,4-5,7-8,13-14H2,1-3 H3,(H,31,32,34); XGNWCJAZTBIOLY-UHFFFAOYSA-N |
Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4 )C5CC6(C5)CN(C6)C)OC7(CC7)C)F; CN1CC2(CC (C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4) c7cnc(C)nc7)cn3)C1 |
7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine |
| 30433 | NB6 | 1 | C14 H13 Br N2 O | InChI=1S/C14H13BrN2O/c1-1 0-5-6-16-9-13(10)17-14(18 )8-11-3-2-4-12(15)7-11/h2 -7,9H,8H2,1H3,(H,17,18); ZTLMWKAKNVXEJW-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)Cc2cccc(c2)Br; Cc1ccncc1N C(=O)Cc2cccc(Br)c2; O=C(Nc1cnccc1C)Cc1cc cc(Br)c1 |
2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 30434 | NB7 CHEMBL4530847 ZINC000009513173 |
1 | C13 H11 F N2 O3 S | InChI=1S/C13H11FN2O3S/c14 -11-8-4-5-9-12(11)20(18,1 9)16-15-13(17)10-6-2-1-3- 7-10/h1-9,16H,(H,15,17); DNZDKRQQOYZLNO-UHFFFAOYSA-N |
Fc1ccccc1[S](=O)(=O)NNC(=O)c2ccccc2; c1( ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F; c1ccc( cc1)C(=O)NNS(=O)(=O)c2ccccc2F |
N'-[(2-fluorophenyl)sulfonyl]benzohydrazide |
| 30435 | NB8 ZINC000058650246 |
1 | C14 H20 N7 O10 P | InChI=1S/C14H20N7O10P/c15 -5(1-7(22)20-26)14(25)31- 32(27,28)29-2-6-9(23)10(2 4)13(30-6)21-4-19-8-11(16 )17-3-18-12(8)21/h3-6,9-1 0,13,23-24,26H,1-2,15H2,( H,20,22)(H,27,28)(H2,16,1 7,18)/t5-,6+,9+,10+,13+/m 0/s1; LNQDDLRGTAFRLA-VWJPMABRSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N O)N)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3) COP(=O)(O)OC(=O)C(CC(=O)NO)N)O)O)N; O=C( NO)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncn c12)N)C(O)C3O; N[CH](CC(=O)NO)C(=O)O[P]( O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c (N)ncnc23; N[C@@H](CC(=O)NO)C(=O)O[P](O) (=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn c3c(N)ncnc23 |
5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine |
| 30436 | NB9 CHEMBL108111 |
8 | C24 H28 N4 O6 | InChI=1S/C24H28N4O6/c25-2 2(26)16-3-5-17(6-4-16)23( 32)27-20(13-15-1-7-18(29) 8-2-15)24(33)28-11-9-19(1 0-12-28)34-14-21(30)31/h1 -8,19-20,29H,9-14H2,(H3,2 5,26)(H,27,32)(H,30,31)/t 20-/m0/s1; FPKOGTAFKSLZLD-FQEVSTJZSA-N |
[H]/N=C(\c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(c c2)O)C(=O)N3CCC(CC3)OCC(=O)O)/N; O=C(C(C c1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC (OCC(=O)O)CC1; NC(=N)c1ccc(cc1)C(=O)N[C@ @H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O ; c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC (=O)c3ccc(cc3)C(=N)N)O; NC(=N)c1ccc(cc1) C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)O CC(O)=O |
Lamifiban; ({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid |
| 30437 | NBA ZINC000033769333 |
6 | C10 H25 N3 O2 | InChI=1S/C10H25N3O2/c1-11 -5-2-6-12-7-3-8-13-9-4-10 (14)15/h10-15H,2-9H2,1H3; PTLIEDFKZYQZEI-UHFFFAOYSA-N |
CNCCCNCCCNCCC(O)O; OC(O)CCNCCCNCCCNC | 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL |
| 30438 | NBB CHEMBL479880 DB02055 ZINC000001666831 |
18 | C10 H15 N O2 S | InChI=1S/C10H15NO2S/c1-2- 3-9-11-14(12,13)10-7-5-4- 6-8-10/h4-8,11H,2-3,9H2,1 H3; IPRJXAGUEGOFGG-UHFFFAOYSA-N |
CCCCNS(=O)(=O)c1ccccc1; CCCCN[S](=O)(=O) c1ccccc1; O=S(=O)(NCCCC)c1ccccc1 |
N-BUTYL-BENZENESULFONAMIDE |
| 30439 | NBC DB03245 ZINC000195757740 |
1 | C25 H41 N8 O19 P3 S | InChI=1S/C25H41N8O19P3S/c 1-25(2,20(37)23(38)28-6-5 -15(34)27-7-9-56-16(35)4- 3-8-33(39)40)11-49-55(46, 47)52-54(44,45)48-10-14-1 9(51-53(41,42)43)18(36)24 (50-14)32-13-31-17-21(26) 29-12-30-22(17)32/h12-14, 18-20,24,36-37H,3-11H2,1- 2H3,(H,27,34)(H,28,38)(H, 44,45)(H,46,47)(H2,26,29, 30)(H2,41,42,43)/t14-,18- ,19-,20+,24-/m1/s1; PXNIOQHGCSEKCC-CITAKDKDSA-N |
CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H] 1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O) OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C CC[N+](=O)[O-])O; CC(C)(CO[P@@](O)(=O)O[ P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1 O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C (=O)NCCC(=O)NCCSC(=O)CCC[N+]([O-])=O; CC (C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]( [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2 3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+]([ O-])=O; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O )NCCC(=O)NCCSC(=O)CCC[N+](=O)[O-])O; [O- ][N+](=O)CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C( C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n cnc12)N)C(O)C3OP(=O)(O)O |
S-4-NITROBUTYRYL-COA |
| 30440 | NBD | 4 | C28 H33 N7 O14 P2 | InChI=1S/C28H33N7O14P2/c2 9-24(40)16-7-4-8-34(10-16 )27-22(38)20(36)17(47-27) 11-45-50(41,42)49-51(43,4 4)46-12-18-21(37)23(39)28 (48-18)35-14-33-19-25(31- 13-32-26(19)35)30-9-15-5- 2-1-3-6-15/h1-8,10,13-14, 17-18,20-23,27-28,36-39H, 9,11-12H2,(H4-,29,30,31,3 2,40,41,42,43,44)/t17-,18 -,20-,21-,22-,23-,27-,28- /m1/s1; PDNSIRRMIDXSBH-INGGVVRRSA-N |
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H ]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O) ([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+ ]6cccc(c6)C(=O)N)O)O)O)O; c1ccc(cc1)CNc2 c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(= O)([O-])OCC5C(C(C(O5)[n+]6cccc(c6)C(=O)N )O)O)O)O; NC(=O)c1ccc[n+](c1)[C@@H]2O[C@ H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[ C@H]([C@H](O)[C@@H]3O)n4cnc5c(NCc6ccccc6 )ncnc45)[C@@H](O)[C@H]2O; NC(=O)c1ccc[n+ ](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(= O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(NCc 6ccccc6)ncnc45)[CH](O)[CH]2O |
N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE |
| 30441 | NBE CHEMBL98797 ZINC000004097291 |
12 | C6 H5 N O | InChI=1S/C6H5NO/c8-7-6-4- 2-1-3-5-6/h1-5H; NLRKCXQQSUWLCH-UHFFFAOYSA-N |
O=Nc1ccccc1; c1ccc(cc1)N=O | NITROSOBENZENE |
| 30442 | NBF CHEMBL1234635 DB02841 ZINC000169748477 |
3 | C14 H16 B N O4 | InChI=1S/C14H16BNO4/c1-2- 20-12-8-7-10-5-3-4-6-11(1 0)13(12)14(17)16-9-15(18) 19/h3-8,18-19H,2,9H2,1H3, (H,16,17); VGXJNGVFESCMME-UHFFFAOYSA-N |
CCOc1ccc2ccccc2c1C(=O)NCB(O)O; B(CNC(=O) c1c2ccccc2ccc1OCC)(O)O; O=C(c1c2c(ccc1OC C)cccc2)NCB(O)O |
[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID |
| 30443 | NBG CHEMBL335315 DB02320 |
34 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-8-7(14)6(13)5(12)4(2-1 0)15-8/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6+,7 -,8-/m1/s1; IBONACLSSOLHFU-JAJWTYFOSA-N |
CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O 1)CO)O)O)O; CC(=O)N[CH]1O[CH](CO)[CH](O) [CH](O)[CH]1O; CC(=O)N[C@@H]1O[C@H](CO)[ C@@H](O)[C@H](O)[C@H]1O; O=C(NC1OC(C(O)C (O)C1O)CO)C; CC(=O)NC1C(C(C(C(O1)CO)O)O) O |
N-acetyl-beta-D-glucopyranosylamine; 1-N-ACETYL-BETA-D-GLUCOSAMINE; N-acetyl-beta-D-glucosylamine; N-acetyl-D-glucosylamine; N-acetyl-glucosylamine |
| 30444 | NBH CHEMBL3109325 ZINC000095921228 |
2 | C27 H32 N2 O3 S | InChI=1S/C27H32N2O3S/c1-3 -18-29(20-23-8-6-5-7-9-23 )21-24-10-14-25(15-11-24) 28-27(30)19-22-12-16-26(1 7-13-22)33(31,32)4-2/h5-1 7H,3-4,18-21H2,1-2H3,(H,2 8,30); PWRYHBNVYOIZJC-UHFFFAOYSA-N |
O=S(=O)(c1ccc(cc1)CC(=O)Nc2ccc(cc2)CN(Cc 3ccccc3)CCC)CC; CCCN(Cc1ccccc1)Cc2ccc(cc 2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC; CCCN(Cc1 ccccc1)Cc2ccc(NC(=O)Cc3ccc(cc3)[S](=O)(= O)CC)cc2 |
N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide |
| 30445 | NBI CHEMBL1615112 ZINC000000121139 |
2 | C13 H10 N2 O3 | InChI=1S/C13H10N2O3/c16-1 3(14-10-6-2-1-3-7-10)11-8 -4-5-9-12(11)15(17)18/h1- 9H,(H,14,16); RNFCQIOHQPIUOI-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]; [O -][N+](=O)c1ccccc1C(=O)Nc2ccccc2 |
2-nitro-N-phenylbenzamide |
| 30446 | NBJ CHEMBL4464519 |
1 | C13 H10 F I N2 O3 S | InChI=1S/C13H10FIN2O3S/c1 4-11-6-1-2-7-12(11)21(19, 20)17-16-13(18)9-4-3-5-10 (15)8-9/h1-8,17H,(H,16,18 ); WRILZXKUOHKYFI-UHFFFAOYSA-N |
c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I ; C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O) =O; Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I) c2 |
N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide |
| 30447 | NBK CHEMBL5288931 |
2 | C25 H28 F N9 O | InChI=1S/C25H28FN9O/c1-15 -27-11-16(12-28-15)21-19( 26)10-20-22(32-21)23(36-2 5(2)6-7-25)33-24(31-20)30 -17-13-29-35(14-17)18-4-8 -34(3)9-5-18/h10-14,18H,4 -9H2,1-3H3,(H,30,31,33); SZURKEABSBIIMJ-UHFFFAOYSA-N |
CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F )cc5n3)c6cnc(C)nc6)cn2; Cc1ncc(cn1)c2c(c c3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6 (CC6)C)F |
7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine |
| 30448 | NBL DB03456 ZINC000012503669 |
1 | C19 H26 N4 O3 | InChI=1S/C19H26N4O3/c1-14 (2)10-17(18(24)21-16-8-9- 23(11-16)13-20)22-19(25)2 6-12-15-6-4-3-5-7-15/h3-7 ,14,16-17H,8-12H2,1-2H3,( H,21,24)(H,22,25)/t16-,17 +/m1/s1; IMTUSTXBVIALBC-SJORKVTESA-N |
N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C )C2; CC(C)CC(C(=O)NC1CCN(C1)C#N)NC(=O)OC c2ccccc2; CC(C)C[C@@H](C(=O)N[C@@H]1CCN( C1)C#N)NC(=O)OCc2ccccc2; CC(C)C[C@H](NC( =O)OCc1ccccc1)C(=O)N[C@@H]2CCN(C2)C#N; C C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CC N(C2)C#N |
N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE |
| 30449 | NBM CHEMBL418509 ZINC000002097863 |
2 | C17 H17 N5 O6 S | InChI=1S/C17H17N5O6S/c23- 5-11-13(24)14(25)17(28-11 )21-8-20-12-15(21)18-7-19 -16(12)29-6-9-1-3-10(4-2- 9)22(26)27/h1-4,7-8,11,13 -14,17,23-25H,5-6H2/t11-, 13-,14-,17-/m1/s1; DYCJFJRCWPVDHY-LSCFUAHRSA-N |
OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(SCc4c cc(cc4)[N+]([O-])=O)ncnc23; c1cc(ccc1CSc 2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)[N+](= O)[O-]; c1cc([N+](=O)[O-])ccc1CSc2ncnc3c 2ncn3C4C(O)C(C(CO)O4)O; OC[C@H]1O[C@H]([ C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+] ([O-])=O)ncnc23; c1cc(ccc1CSc2c3c(ncn2)n (cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O )[N+](=O)[O-] |
6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine |
| 30450 | NBN DB01826 ZINC000053683318 |
3 | C5 H9 N | InChI=1S/C5H9N/c1-3-4-5-6 -2/h3-5H2,1H3; FSBLVBBRXSCOKU-UHFFFAOYSA-N |
CCCC[N+]#[C-]; isocyanide | N-BUTYL ISOCYANIDE |
| 30451 | NBO CHEMBL1070 DB00461 ZINC000000020221 |
3 | C15 H16 O2 | InChI=1S/C15H16O2/c1-11(1 6)3-4-12-5-6-14-10-15(17- 2)8-7-13(14)9-12/h5-10H,3 -4H2,1-2H3; BLXXJMDCKKHMKV-UHFFFAOYSA-N |
O=C(C)CCc1ccc2c(c1)ccc(OC)c2; CC(=O)CCc1 ccc2cc(ccc2c1)OC; COc1ccc2cc(CCC(C)=O)cc c2c1 |
nabumetone; 4-(6-methoxynaphthalen-2-yl)butan-2-one |
| 30452 | NBP DB03962 |
1 | C21 H27 Br N7 O17 P3 | InChI=1S/C21H27BrN7O17P3/ c22-21-27-11-16(23)25-7-2 6-18(11)29(21)20-15(45-47 (34,35)36)13(31)10(44-20) 6-42-49(39,40)46-48(37,38 )41-5-9-12(30)14(32)19(43 -9)28-3-1-2-8(4-28)17(24) 33/h1-4,7,9-10,12-15,19-2 0,30-32H,5-6H2,(H7-,23,24 ,25,26,33,34,35,36,37,38, 39,40)/t9-,10-,12-,13-,14 -,15-,19-,20-/m1/s1; MDKMTCCUJSRQGW-NAJQWHGHSA-N |
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H]( O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H ]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)n c4Br)OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1cc c[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)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP (=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br )OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+ ](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@]( O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O) [C@@H]3O)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[ C@H]2O |
NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE |
| 30453 | NBQ DB02511 ZINC000012502206 |
0 | C23 H22 N2 O6 | InChI=1S/C23H22N2O6/c24-1 9(23(29)30)10-16-11-20(22 (28)12-21(16)27)25-17(7-8 -26)13-31-18-6-5-14-3-1-2 -4-15(14)9-18/h1-9,11-12, 19,25,27-28H,10,13,24H2,( H,29,30)/b17-7+/t19-/m0/s 1; PZWMZAFFUAWVDN-CQXYXCHQSA-N |
N[CH](Cc1cc(NC(COc2ccc3ccccc3c2)=CC=O)c( O)cc1O)C(O)=O; N[C@@H](Cc1cc(N\C(COc2ccc 3ccccc3c2)=C\C=O)c(O)cc1O)C(O)=O; O=C(O) C(N)Cc3c(O)cc(O)c(N\C(=C\C=O)COc2cc1cccc c1cc2)c3; c1ccc2cc(ccc2c1)OCC(=CC=O)Nc3c c(c(cc3O)O)CC(C(=O)O)N; c1ccc2cc(ccc2c1) OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O )O)N |
2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE |
| 30454 | NBR CHEMBL4302556 |
1 | C30 H36 N4 O2 | InChI=1S/C30H36N4O2/c1-31 (2)27-13-17-33(18-14-27)2 3-25-5-9-29(10-6-25)35-21 -22-36-30-11-7-26(8-12-30 )24-34-19-15-28(16-20-34) 32(3)4/h5-20H,21-24H2,1-4 H3/q+2; SBSYTSUJNSFXCL-UHFFFAOYSA-N |
CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc (cc4)N(C)C)cc3)cc2)cc1; CN(C)c1cc[n+](cc 1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4 )N(C)C |
1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine |
| 30455 | NBS CHEMBL1234640 DB01893 |
1 | C17 H21 N5 O10 P2 | InChI=1S/C17H21N5O10P2/c2 3-13-11(7-30-34(28,29)32- 33(25,26)27)31-17(14(13)2 4)22-9-21-12-15(19-8-20-1 6(12)22)18-6-10-4-2-1-3-5 -10/h1-5,8-9,11,13-14,17, 23-24H,6-7H2,(H,28,29)(H, 18,19,20)(H2,25,26,27)/t1 1-,13-,14-,17-/m1/s1; MRHGMAGSDAQUFH-LSCFUAHRSA-N |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P] (O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23; c1cc c(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C @@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O )O; O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncn c12)NCc3ccccc3)C(O)C4O; O[C@H]1[C@@H](O) [C@@H](O[C@@H]1CO[P@](O)(=O)O[P](O)(O)=O )n2cnc3c(NCc4ccccc4)ncnc23; c1ccc(cc1)CN c2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP (=O)(O)O)O)O |
N6-BENZYL ADENOSINE-5'-DIPHOSPHATE |
| 30456 | NBT ZINC000002034490 |
4 | C4 H9 N O2 | InChI=1S/C4H9NO2/c1-3-4(2 )5(6)7/h4H,3H2,1-2H3/t4-/ m0/s1; SUGZATOHBPXTDV-BYPYZUCNSA-N |
CCC(C)[N+](=O)[O-]; CC[C@H](C)[N+]([O-]) =O; CC[C@H](C)[N+](=O)[O-]; [O-][N+](=O) C(C)CC; CC[CH](C)[N+]([O-])=O |
(2S)-2-NITROBUTANE |
| 30457 | NBU CHEMBL134702 ZINC000008214510 |
2 | C4 H10 | InChI=1S/C4H10/c1-3-4-2/h 3-4H2,1-2H3; IJDNQMDRQITEOD-UHFFFAOYSA-N |
CCCC | N-BUTANE |
| 30458 | NBV CHEMBL1029 DB00419 ZINC000003794711 |
3 | C10 H21 N O4 | InChI=1S/C10H21NO4/c1-2-3 -4-11-5-8(13)10(15)9(14)7 (11)6-12/h7-10,12-15H,2-6 H2,1H3/t7-,8+,9-,10-/m1/s 1; UQRORFVVSGFNRO-UTINFBMNSA-N |
CCCCN1CC(C(C(C1CO)O)O)O; CCCCN1C[CH](O)[ CH](O)[CH](O)[CH]1CO; OCC1N(CCCC)CC(O)C( O)C1O; CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C @H]1CO)O)O)O; CCCCN1C[C@H](O)[C@@H](O)[C @H](O)[C@H]1CO |
(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL |
| 30459 | NBW CHEMBL5275280 |
4 | C23 H30 N8 O2 | InChI=1S/C23H30N8O2/c1-23 (9-10-23)33-20-19-17(5-6- 18(26-19)21(32)29(2)3)27- 22(28-20)25-15-13-24-31(1 4-15)16-7-11-30(4)12-8-16 /h5-6,13-14,16H,7-12H2,1- 4H3,(H,25,27,28); LBHMENCKRXLUJV-UHFFFAOYSA-N |
CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)N c4cnn(c4)C5CCN(CC5)C; CN1CCC(CC1)n2cc(Nc 3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2 |
~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide |
| 30460 | NBX CHEMBL556336 ZINC000038965470 |
1 | C14 H19 N3 O7 | InChI=1S/C14H19N3O7/c15-7 -3-1-6(2-4-7)12(22)16-14( 23)17-13-11(21)10(20)9(19 )8(5-18)24-13/h1-4,8-11,1 3,18-21H,5,15H2,(H2,16,17 ,22,23)/t8-,9-,10+,11-,13 -/m1/s1; PVSVRIIRRQSFIR-BZNQNGANSA-N |
Nc1ccc(cc1)C(=O)NC(=O)N[C@@H]2O[C@H](CO) [C@@H](O)[C@H](O)[C@H]2O; c1cc(ccc1C(=O) NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O 2)CO)O)O)O)N; c1cc(ccc1C(=O)NC(=O)NC2C(C (C(C(O2)CO)O)O)O)N; Nc1ccc(cc1)C(=O)NC(= O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O; O =C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc 2 |
N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine; N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-aminophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-aminophenyl)carbonyl]carbamoyl}-glucosylamine |
| 30461 | NBY CHEMBL554821 ZINC000038965469 |
2 | C14 H17 N3 O9 | InChI=1S/C14H17N3O9/c18-5 -8-9(19)10(20)11(21)13(26 -8)16-14(23)15-12(22)6-1- 3-7(4-2-6)17(24)25/h1-4,8 -11,13,18-21H,5H2,(H2,15, 16,22,23)/t8-,9-,10+,11-, 13-/m1/s1; TXVZHPDFTXBTMX-BZNQNGANSA-N |
c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H]( [C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]; O C[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)[N+]([ O-])=O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C @@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O) [C@H](O)[C@@H](O)[C@@H]1O; c1cc(ccc1C(=O )NC(=O)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O -]; O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc ([N+]([O-])=O)cc2 |
N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine; N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine; N-{[(4-nitrophenyl)carbonyl]carbamoyl}-D-glucosylamine; N-{[(4-nitrophenyl)carbonyl]carbamoyl}-glucosylamine |
| 30462 | NBZ CHEMBL15750 ZINC000000896426 |
9 | C6 H5 N O2 | InChI=1S/C6H5NO2/c8-7(9)6 -4-2-1-3-5-6/h1-5H; LQNUZADURLCDLV-UHFFFAOYSA-N |
[O-][N+](=O)c1ccccc1; c1ccc(cc1)[N+](=O) [O-] |
NITROBENZENE |
| 30463 | NC | 0 | C H5 N | InChI=1/CH5N/c1-2/h2H2,1H 3; BAVYZALUXZFZLV-UHFFFAOYAN |
CN; NC | METHYLAMINE GROUP |
| 30464 | NC0 | 5 | C16 H14 N2 O3 | InChI=1S/C16H14N2O3/c19-1 5(20)12-6-2-3-7-13(12)17- 16(21)18-10-9-11-5-1-4-8- 14(11)18/h1-8H,9-10H2,(H, 17,21)(H,19,20); SEVISWFLUIXPLQ-UHFFFAOYSA-N |
OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23; O=C(O )c1ccccc1NC(=O)N1CCc2ccccc21; c1ccc2c(c1 )CCN2C(=O)Nc3ccccc3C(=O)O |
2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid |
| 30465 | NC1 DB04041 |
0 | C24 H21 N5 O11 S2 | InChI=1S/C24H23N5O11S2/c2 5-16(22(31)32)10-40-24(35 )20(26-18(30)9-15-2-1-7-4 1-15)21-27-19(23(33)34)13 (11-42-21)4-3-12-5-6-14(2 8(36)37)8-17(12)29(38)39/ h1-8,16,20-21,27H,9-11,25 H2,(H,26,30)(H,31,32)(H,3 3,34)/p-2/b4-3+/t16-,20-, 21+/m0/s1; GPHOELDACAWWAE-DEKCOHRESA-L |
c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2) \C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]) C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N; N[C @@H](COC(=O)[C@@H](NC(=O)Cc1sccc1)[C@@H] 2NC(=C(CS2)\C=C\c3ccc(cc3[N+]([O-])=O)[N +]([O-])=O)C([O-])=O)C([O-])=O; [O-]C(=O )C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2 )C([O-])=O)\C=C\c3ccc([N+]([O-])=O)cc3[N +]([O-])=O; N[CH](COC(=O)[CH](NC(=O)Cc1s ccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O- ])=O)[N+]([O-])=O)C([O-])=O)C([O-])=O; c 1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc 3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(= O)OCC(C(=O)[O-])N |
NITROCEFIN ACYL-SERINE |
| 30466 | NC2 | 0 | C24 H23 N5 O11 S2 | InChI=1/C24H23N5O11S2/c25 -16(22(31)32)10-40-24(35) 20(26-18(30)9-15-2-1-7-41 -15)21-27-19(23(33)34)13( 11-42-21)4-3-12-5-6-14(28 (36)37)8-17(12)29(38)39/h 1-8,16,20-21,27H,9-11,25H 2,(H,26,30)(H,31,32)(H,33 ,34)/b4-3+/t16-,20-,21+/m 0/s1/f/h26,31,33H; GPHOELDACAWWAE-LNPOAWELDM |
O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC( =C(N2)C(=O)O)\C=C\c3ccc([N+]([O-])=O)cc3 [N+]([O-])=O; N[C@@H](COC(=O)[C@@H](NC(= O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc(c c3[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(O)= O; N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH] 2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+] ([O-])=O)C(O)=O)C(O)=O; c1cc(sc1)CC(=O)N [C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N +](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C @@H](C(=O)O)N; c1cc(sc1)CC(=O)NC(C2NC(=C (CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O -])C(=O)O)C(=O)OCC(C(=O)O)N |
NITROCEFIN ACYL-SERINE |
| 30467 | NC3 CHEMBL66380 DB08256 ZINC000006691828 |
2 | C9 H16 N2 O3 | InChI=1S/C9H16N2O3/c12-8( 13)6-10-9(14)11-7-4-2-1-3 -5-7/h7H,1-6H2,(H,12,13)( H2,10,11,14); NVORCMBCUHQRDL-UHFFFAOYSA-N |
OC(=O)CNC(=O)NC1CCCCC1; O=C(NC1CCCCC1)NC C(=O)O; C1CCC(CC1)NC(=O)NCC(=O)O |
N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE; 4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID |
| 30468 | NC4 CHEMBL219695 DB08257 ZINC000008754389 |
1 | C11 H20 N2 O3 | InChI=1S/C11H20N2O3/c14-1 0(15)7-4-8-12-11(16)13-9- 5-2-1-3-6-9/h9H,1-8H2,(H, 14,15)(H2,12,13,16); WSVFRGGLURJIMG-UHFFFAOYSA-N |
C1CCC(CC1)NC(=O)NCCCC(=O)O; O=C(NC1CCCCC 1)NCCCC(=O)O; OC(=O)CCCNC(=O)NC1CCCCC1 |
4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID; 4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID |
| 30469 | NC5 ZINC000026496496 |
0 | C33 H45 N5 O2 | InChI=1S/C33H45N5O2/c1-3- 28-9-5-7-17-37(28)19-15-3 2(39)34-26-13-11-24-21-25 -12-14-27(23-31(25)36-30( 24)22-26)35-33(40)16-20-3 8-18-8-6-10-29(38)4-2/h11 -14,21-23,28-29H,3-10,15- 20H2,1-2H3,(H,34,39)(H,35 ,40)/t28-,29+; ZWPUGYBFVBXUSX-ISILISOKSA-N |
CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(c c4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC; CC[ C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)C CN5CCCC[C@@H]5CC)cc4nc3c2; O=C(Nc3cc2nc1 cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C (CC)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc 4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC 1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC( =O)CCN5CCCCC5CC |
3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide |
| 30470 | NC6 CHEMBL434374 DB08258 ZINC000013493677 |
1 | C13 H24 N2 O3 | InChI=1S/C13H24N2O3/c16-1 2(17)9-5-2-6-10-14-13(18) 15-11-7-3-1-4-8-11/h11H,1 -10H2,(H,16,17)(H2,14,15, 18); KFTVEPYSUSWBRD-UHFFFAOYSA-N |
OC(=O)CCCCCNC(=O)NC1CCCCC1; C1CCC(CC1)NC (=O)NCCCCCC(=O)O; O=C(NC1CCCCC1)NCCCCCC( =O)O |
6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID; 4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID |
| 30471 | NC7 DB08259 ZINC000013493757 |
1 | C14 H26 N2 O3 | InChI=1S/C14H26N2O3/c17-1 3(18)10-6-1-2-7-11-15-14( 19)16-12-8-4-3-5-9-12/h12 H,1-11H2,(H,17,18)(H2,15, 16,19); GYTIWWDVOFXKPF-UHFFFAOYSA-N |
C1CCC(CC1)NC(=O)NCCCCCCC(=O)O; O=C(NC1CC CCC1)NCCCCCCC(=O)O; OC(=O)CCCCCCNC(=O)NC 1CCCCC1 |
7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID; 4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID |
| 30472 | NC8 | 1 | C30 H34 Br N4 O3 | InChI=1S/C30H33BrN4O3/c31 -26-7-5-25(6-8-26)30(37)3 8-20-23-13-14-34-17-24(15 -23)19-35(18-22-3-11-28(3 3)12-4-22)29(36)16-21-1-9 -27(32)10-2-21/h1-13,24,3 4H,14-20,32-33H2/p+1/t24- /m1/s1; ILVATMQGTNYMLQ-XMMPIXPASA-O |
c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[ NH2+]C3)COC(=O)c4ccc(cc4)Br)N; Nc1ccc(CN (C[CH]2C[NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C 2)C(=O)Cc4ccc(N)cc4)cc1; c1cc(ccc1CC(=O) N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO C(=O)c4ccc(cc4)Br)N; Nc1ccc(CN(C[C@H]2C[ NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C2)C(=O)Cc 4ccc(N)cc4)cc1; Brc1ccc(cc1)C(=O)OCC4=CC [NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)c c3)C4 |
(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium |
| 30473 | NC9 | 1 | C23 H31 N4 O2 | InChI=1S/C23H30N4O2/c24-2 1-5-1-17(2-6-21)12-23(29) 27(14-18-3-7-22(25)8-4-18 )15-20-11-19(16-28)9-10-2 6-13-20/h1-9,20,26,28H,10 -16,24-25H2/p+1/t20-/m1/s 1; WRSLWDODYIRHLE-HXUWFJFHSA-O |
c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[ NH2+]C3)CO)N; c1cc(ccc1CC(=O)N(Cc2ccc(cc 2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N; O=C(N(C C1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc( N)cc3; Nc1ccc(CN(C[C@H]2C[NH2+]CC=C(CO)C 2)C(=O)Cc3ccc(N)cc3)cc1; Nc1ccc(CN(C[CH] 2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1 |
(3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium |
| 30474 | NCA CHEMBL1140 DB02701 ZINC000000005878 |
153 | C6 H6 N2 O | InChI=1S/C6H6N2O/c7-6(9)5 -2-1-3-8-4-5/h1-4H,(H2,7, 9); DFPAKSUCGFBDDF-UHFFFAOYSA-N |
c1cc(cnc1)C(=O)N; NC(=O)c1cccnc1; O=C(N) c1cccnc1 |
NICOTINAMIDE |
| 30475 | NCB DB04048 ZINC000082071078 |
0 | C4 H8 N2 O3 | InChI=1S/C4H8N2O3/c1-2(3( 7)8)6-4(5)9/h2H,1H3,(H,7, 8)(H3,5,6,9)/t2-/m1/s1; LUSWEUMSEVLFEQ-UWTATZPHSA-N |
CC(C(=O)O)NC(=O)N; C[C@@H](NC(N)=O)C(O)= O; C[C@H](C(=O)O)NC(=O)N; C[CH](NC(N)=O) C(O)=O; O=C(O)C(NC(=O)N)C |
N-CARBAMOYL-ALANINE |
| 30476 | NCC CHEMBL1234647 DB02485 ZINC000008215638 |
13 | C20 H31 N4 O16 P | InChI=1S/C20H31N4O16P/c1- 7(26)22-12-8(27)4-20(18(3 2)33,39-16(12)13(29)9(28) 5-25)40-41(35,36)37-6-10- 14(30)15(31)17(38-10)24-3 -2-11(21)23-19(24)34/h2-3 ,8-10,12-17,25,27-31H,4-6 H2,1H3,(H,22,26)(H,32,33) (H,35,36)(H2,21,23,34)/t8 -,9+,10+,12+,13+,14+,15+, 16+,17+,20+/m0/s1; TXCIAUNLDRJGJZ-BILDWYJOSA-N |
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]( [C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@ @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O) N)O)O)O; CC(=O)N[CH]1[CH](O)C[C](O[CH]1[ CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH] ([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O; O =C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC 3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C; CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(= O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O; CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C @H](O)[C@H](O)CO)(O[P@](O)(=O)OC[C@H]2O[ C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)C( O)=O |
CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID |
| 30477 | NCD DB04252 ZINC000000895230 |
35 | C5 H8 N2 O5 | InChI=1S/C5H8N2O5/c6-5(12 )7-2(4(10)11)1-3(8)9/h2H, 1H2,(H,8,9)(H,10,11)(H3,6 ,7,12)/t2-/m0/s1; HLKXYZVTANABHZ-REOHCLBHSA-N |
NC(=O)N[C@@H](CC(O)=O)C(O)=O; C([C@@H](C (=O)O)NC(=O)N)C(=O)O; O=C(O)C(NC(=O)N)CC (=O)O; C(C(C(=O)O)NC(=O)N)C(=O)O; NC(=O) N[CH](CC(O)=O)C(O)=O |
N-CARBAMOYL-L-ASPARTATE |
| 30478 | NCE CHEMBL421143 ZINC000026495604 |
0 | C27 H33 N5 O4 | InChI=1S/C27H33N5O4/c33-2 6(5-7-31-9-13-35-14-10-31 )28-22-3-1-20-17-21-2-4-2 3(19-25(21)30-24(20)18-22 )29-27(34)6-8-32-11-15-36 -16-12-32/h1-4,17-19H,5-1 6H2,(H,28,33)(H,29,34); PKCWQSROJQAQMV-UHFFFAOYSA-N |
O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCO CC4)CCN5CCOCC5; c1cc(cc2c1cc3ccc(cc3n2)N C(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5; O=C(CC N1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5) cc4nc3c2 |
3,6-Bis[(3-morpholinopropionamido)] acridine; N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide) |
| 30479 | NCF | 4 | C13 H14 N2 O5 S2 | InChI=1S/C13H14N2O5S2/c16 -9(6-7-2-1-4-21-7)15-10(1 3(19)20)11-14-8(12(17)18) 3-5-22-11/h1-2,4,10-11H,3 ,5-6H2,(H,15,16)(H,17,18) (H,19,20)/t10-,11+/m0/s1; LNPNJPUNJYVKHH-WDEREUQCSA-N |
OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCCC(=N2) C(O)=O; S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2 cccs2; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C (CCS2)C(=O)O)C(=O)O; c1cc(sc1)CC(=O)NC(C 2N=C(CCS2)C(=O)O)C(=O)O; OC(=O)[C@@H](NC (=O)Cc1sccc1)[C@H]2SCCC(=N2)C(O)=O |
(2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID; NITROCEFIN, open form without dinitrophenyl-ethenyl group; (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| 30480 | NCG ZINC000263620540 |
0 | C45 H52 N4 O18 S | InChI=1S/C45H52N4O18S/c1- 18-11-21(62-4)13-23-22(18 )5-7-29(50)33(23)42(59)66 -38-37(67-43-34(47-3)36(5 5)35(54)19(2)64-43)24-12- 20-9-10-45(61,30-16-63-44 (60)65-30)26(20)14-25(24) 39(38)68-17-28(40(56)48-1 5-32(52)53)49-31(51)8-6-2 7(46)41(57)58/h5,7,9-14,1 9,27-28,30,34-39,43,47,50 ,54-55,61H,6,8,15-17,46H2 ,1-4H3,(H,48,56)(H,49,51) (H,52,53)(H,57,58)/t19-,2 7-,28+,30-,34-,35+,36-,37 -,38+,39+,43-,45-/m1/s1; HZICOJKOTQKXNL-RKDHACFISA-N |
O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3 cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O) C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O) C; Cc1cc(cc2c1ccc(c2C(=O)OC3C(c4cc5c(cc4 C3SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C (C=C5)(C6COC(=O)O6)O)OC7C(C(C(C(O7)C)O)O )NC)O)OC; CN[C@@H]1[C@@H](O)[C@@H](O)[C@ @H](C)O[C@@H]1O[C@H]2[C@H](OC(=O)c3c(O)c cc4c(C)cc(OC)cc34)[C@@H](SC[C@H](NC(=O)C C[C@@H](N)C(O)=O)C(=O)NCC(O)=O)c5cc6c(C= C[C@]6(O)[C@H]7COC(=O)O7)cc25; Cc1cc(cc2 c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@ @H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H] (C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O [C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O )NC)O)OC; CN[CH]1[CH](O)[CH](O)[CH](C)O[ CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC )cc34)[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O) C(=O)NCC(O)=O)c5cc6c(C=C[C]6(O)[CH]7COC( =O)O7)cc25 |
[(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE; NCSI-GLU; NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE |
| 30481 | NCH ZINC000004521729 |
2 | C11 H18 N2 O6 P | InChI=1S/C11H17N2O6P/c1-1 3(2,3)8-9-18-20(16,17)19- 11-6-4-10(5-7-11)12(14)15 /h4-7H,8-9H2,1-3H3/p+1; NAIXASFEPQPICN-UHFFFAOYSA-O |
C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O )[O-]; C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc( cc1)[N+]([O-])=O; [O-][N+](=O)c1ccc(OP(= O)(OCC[N+](C)(C)C)O)cc1; C[N+](C)(C)CCO[ P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[N+] (C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-]) =O |
P-NITROPHENYL-PHOSPHOCHOLINE |
| 30482 | NCI ZINC000058649857 |
0 | C33 H45 N5 O2 | InChI=1S/C33H45N5O2/c1-3- 28-9-5-7-17-37(28)19-15-3 2(39)34-26-13-11-24-21-25 -12-14-27(23-31(25)36-30( 24)22-26)35-33(40)16-20-3 8-18-8-6-10-29(38)4-2/h11 -14,21-23,28-29H,3-10,15- 20H2,1-2H3,(H,34,39)(H,35 ,40)/t28-,29-/m1/s1; ZWPUGYBFVBXUSX-FQLXRVMXSA-N |
CC[C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(= O)CCN5CCCC[C@H]5CC)cc4nc3c2; CC[C@@H]1CC CC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC( =O)CC[N@@]5CCCC[C@H]5CC; O=C(Nc3cc2nc1cc (ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(C C)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4c cc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC1C CCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O )CCN5CCCCC5CC |
3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine; N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide} |
| 30483 | NCJ ZINC000058649859 |
0 | C31 H41 N5 O2 | InChI=1S/C31H41N5O2/c1-22 -7-3-5-15-35(22)17-13-30( 37)32-26-11-9-24-19-25-10 -12-27(21-29(25)34-28(24) 20-26)33-31(38)14-18-36-1 6-6-4-8-23(36)2/h9-12,19- 23H,3-8,13-18H2,1-2H3,(H, 32,37)(H,33,38)/t22-,23-/ m1/s1; AFTOIBDEHJTNKF-DHIUTWEWSA-N |
O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(C CCC4)C)CCN5C(C)CCCC5; C[CH]1CCCCN1CCC(=O )Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5C)cc4n c3c2; C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4 ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C; CC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)N C(=O)CCN5CCCCC5C; C[C@@H]1CCCCN1CCC(=O)N c2ccc3cc4ccc(NC(=O)CCN5CCCC[C@H]5C)cc4nc 3c2 |
3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine; N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide} |
| 30484 | NCK CHEMBL309919 ZINC000026488967 |
0 | C31 H41 N5 O2 | InChI=1S/C31H41N5O2/c1-22 -7-13-35(14-8-22)17-11-30 (37)32-26-5-3-24-19-25-4- 6-27(21-29(25)34-28(24)20 -26)33-31(38)12-18-36-15- 9-23(2)10-16-36/h3-6,19-2 3H,7-18H2,1-2H3,(H,32,37) (H,33,38); BQDBDQOPOGFTHF-UHFFFAOYSA-N |
CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2 )NC(=O)CCN5CCC(CC5)C; CC1CCN(CC1)CCC(=O) Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3 c2; O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN 4CCC(CC4)C)CCN5CCC(C)CC5 |
3,6-Bis[3-(4-methylpiperidino)propionamido]acridine; N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide] |
| 30485 | NCL ZINC000026498547 |
0 | C31 H41 N5 O2 | InChI=1S/C31H41N5O2/c1-22 -5-3-13-35(20-22)15-11-30 (37)32-26-9-7-24-17-25-8- 10-27(19-29(25)34-28(24)1 8-26)33-31(38)12-16-36-14 -4-6-23(2)21-36/h7-10,17- 19,22-23H,3-6,11-16,20-21 H2,1-2H3,(H,32,37)(H,33,3 8)/t22-,23-/m1/s1; JGEGKUSUCAFTEW-DHIUTWEWSA-N |
O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC C(C4)C)CCN5CCCC(C)C5; C[C@@H]1CCCN(CCC(= O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C@@H](C)C5 )cc4nc3c2)C1; CC1CCCN(C1)CCC(=O)Nc2ccc3c c4ccc(cc4nc3c2)NC(=O)CCN5CCCC(C5)C; C[C@ @H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4n c3c2)NC(=O)CC[N@]5CCC[C@H](C5)C; C[CH]1C CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C H](C)C5)cc4nc3c2)C1 |
3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine; N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide} |
| 30486 | NCM DB03540 ZINC000001693941 |
1 | C7 H10 O | InChI=1S/C7H10O/c8-7-4-5- 1-2-6(7)3-5/h5-6H,1-4H2/t 5-,6+/m0/s1; KPMKEVXVVHNIEY-NTSWFWBYSA-N |
C1CC2CC1CC2=O; O=C1C[CH]2CC[CH]1C2; O=C1 CC2CC1CC2; O=C1C[C@H]2CC[C@@H]1C2; C1C[C @@H]2C[C@H]1CC2=O |
NORCAMPHOR |
| 30487 | NCN DB02382 |
49 | C11 H14 N O9 P | InChI=1S/C11H14NO9P/c13-8 -7(5-20-22(17,18)19)21-10 (9(8)14)12-3-1-2-6(4-12)1 1(15)16/h1-4,7-10,13-14H, 5H2,(H2-,15,16,17,18,19)/ t7-,8-,9-,10-/m1/s1; JOUIQRNQJGXQDC-ZYUZMQFOSA-N |
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-]) O)O)C(=O)O; [O-]P(=O)(O)OCC2OC([n+]1cc(c cc1)C(=O)O)C(O)C2O; c1cc(c[n+](c1)[C@H]2 [C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O- ])O)O)C(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO [P](O)([O-])=O)[n+]2cccc(c2)C(O)=O; O[C@ H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)([O-] )=O)[n+]2cccc(c2)C(O)=O |
NICOTINATE MONONUCLEOTIDE; NAMN |
| 30488 | NCO DB03350 |
0 | Co H18 N6 | InChI=1S/Co.6H3N/h;6*1H3/ q+3;;;;;;; DYLMFCCYOUSRTK-UHFFFAOYSA-N |
[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[ NH3]; N.N.N.N.N.N.[Co+3] |
COBALT HEXAMMINE(III) |
| 30489 | NCP | 0 | Cl2 H4 N2 Pt | InChI=1S/2ClH.2H2N.Pt/h2* 1H;2*1H2;/q;;2*-1;+4/p-2; DQLATGHUWYMOKM-UHFFFAOYSA-L |
Cl[Pt](Cl)(N)N; N[Pt](N)(Cl)Cl | CIS-DIAMINODICHLOROPLATINUM |
| 30490 | NCQ CHEMBL82008 ZINC000013557558 |
0 | C31 H41 N5 O2 | InChI=1S/C31H41N5O2/c37-3 0(13-19-35-15-5-1-2-6-16- 35)32-26-11-9-24-21-25-10 -12-27(23-29(25)34-28(24) 22-26)33-31(38)14-20-36-1 7-7-3-4-8-18-36/h9-12,21- 23H,1-8,13-20H2,(H,32,37) (H,33,38); MSWYQCALXGGGBX-UHFFFAOYSA-N |
c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4 )NC(=O)CCN5CCCCCC5; O=C(CCN1CCCCCC1)Nc2c cc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2; O= C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCC C4)CCN5CCCCCC5 |
3,6-Bis[3-(azepan-1-yl)propionamido]acridine; N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide) |
| 30491 | NCR CHEMBL1234658 DB04110 ZINC000020230664 |
2 | C7 H7 N O3 | InChI=1S/C7H7NO3/c1-5-2-3 -7(9)6(4-5)8(10)11/h2-4,9 H,1H3; SYDNSSSQVSOXTN-UHFFFAOYSA-N |
O=[N+]([O-])c1cc(ccc1O)C; Cc1ccc(c(c1)[N +](=O)[O-])O; Cc1ccc(O)c(c1)[N+]([O-])=O |
2-NITRO-P-CRESOL |
| 30492 | NCS | 0 | C35 H36 N O12 | InChI=1S/C35H35NO12/c1-14 -9-17(43-4)11-22-18(14)5- 6-23(37)35(22)25-19-12-21 -16(7-8-34(21,42)24-13-44 -33(41)46-24)10-20(19)29( 30(25)48-32(35)40)47-31-2 6(36-3)28(39)27(38)15(2)4 5-31/h5-12,15,24-31,36,38 -39,42H,13H2,1-4H3/p+1/t1 5-,24-,25-,26-,27+,28-,29 -,30-,31-,34-,35+/m1/s1; OBDNPHCYNBAIOJ-KDIFMUJMSA-O |
C[NH2+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](C )O[C@@H]1O[C@H]2[C@@H]3OC(=O)[C@]4([C@@H ]3c5cc6c(C=C[C@]6(O)[C@H]7COC(=O)O7)cc25 )C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c1C= CC(=O)C23C4c5cc6c(cc5C(C4OC3=O)OC7C(C(C( C(O7)C)O)O)[NH2+]C)C=CC6(C8COC(=O)O8)O)O C; O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4O C(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC )cc(c5C=CC6=O)C)C78; C[NH2+][CH]1[CH](O) [CH](O)[CH](C)O[CH]1O[CH]2[CH]3OC(=O)[C] 4([CH]3c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)c c25)C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c 1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C @@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C @H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC (=O)O8)O)OC |
|
| 30493 | NCT CHEMBL3 DB00184 ZINC000000391812 |
101 | C10 H14 N2 | InChI=1S/C10H14N2/c1-12-7 -3-5-10(12)9-4-2-6-11-8-9 /h2,4,6,8,10H,3,5,7H2,1H3 /t10-/m0/s1; SNICXCGAKADSCV-JTQLQIEISA-N |
C[N@@]1CCC[C@H]1c2cccnc2; n1cc(ccc1)C2N( C)CCC2; CN1CCC[C@H]1c2cccnc2; CN1CCCC1c2 cccnc2; CN1CCC[CH]1c2cccnc2 |
(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE; (S)-(-)-NICOTINE; 3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE |
| 30494 | NCU ZINC000263620791 |
0 | C12 H19 N4 O8 P | InChI=1S/C12H19N4O8P/c1-6 -3-16(11(18)14-9(6)13)10- 7-8(17)12(23-10,4-15(2)24 -7)5-22-25(19,20)21/h3,7- 8,10,17H,4-5H2,1-2H3,(H2, 13,14,18)(H2,19,20,21)/t7 -,8+,10-,12-/m1/s1; NFVTVBMMWKQGEV-UJYYTQATSA-N |
CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH ]2O)N3C=C(C)C(=NC3=O)N; CN1C[C@]2(CO[P]( O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=C(C )C(=NC3=O)N; O=C1N=C(N)C(=CN1C3OC2(C(O)C 3ON(C)C2)COP(=O)(O)O)C; CC1=CN(C(=O)N=C1 N)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O; CC1 =CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@]( O2)(CN(O3)C)COP(=O)(O)O)O |
[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate |
| 30495 | NCV ZINC000058650795 |
2 | C10 H16 N2 O4 | InChI=1S/C10H16N2O4/c1-6- 8(3-7(4-13)5-14)12(2)10(1 6)11-9(6)15/h7,13-14H,3-5 H2,1-2H3,(H,11,15,16); FMPCUJIPAJPVKR-UHFFFAOYSA-N |
CN1C(=O)NC(=O)C(=C1CC(CO)CO)C; CC1=C(N(C (=O)NC1=O)C)CC(CO)CO; O=C1C(=C(N(C(=O)N1 )C)CC(CO)CO)C |
N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine; 6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione; N-methyl-DHBT |
| 30496 | NCW DB08260 ZINC000053683045 |
2 | C15 H28 N2 O4 S | InChI=1S/C15H28N2O4S/c1-2 -3-4-5-6-7-8-16-15(22)17- 10-9-21-14(17)13(20)12(19 )11(10)18/h10-14,18-20H,2 -9H2,1H3,(H,16,22)/t10-,1 1+,12-,13+,14+/m0/s1; LFSNQOFOMJLHIW-MEBFFEOJSA-N |
CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[ C@@H](O)[C@@H]2O; CCCCCCCCNC(=S)N1[C@H]2 CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O; CCCC CCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[C H]2O; CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O; S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC |
(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide |
| 30497 | NCX ZINC000058649829 |
0 | C14 H16 N3 O9 P | InChI=1S/C14H16N3O9P/c15- 14(19)9-5-16(10-2-1-7(17( 20)21)3-8(9)10)13-4-11(18 )12(26-13)6-25-27(22,23)2 4/h1-3,5,11-13,18H,4,6H2, (H2,15,19)(H2,22,23,24)/t 11-,12+,13+/m0/s1; AWLFWQPJPLUSDJ-YNEHKIRRSA-N |
[O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3) COP(=O)(O)O)C(=O)N; NC(=O)c1cn([CH]2C[CH ](O)[CH](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+ ]([O-])=O; NC(=O)c1cn([C@H]2C[C@H](O)[C@ @H](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+]([O- ])=O; c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3 C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N; c 1cc2c(cc1[N+](=O)[O-])c(cn2C3CC(C(O3)COP (=O)(O)O)O)C(=O)N |
1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE |
| 30498 | NCY ZINC000004280685 |
0 | C4 H9 N O2 S | InChI=1S/C4H9NO2S/c1-5-3( 2-8)4(6)7/h3,5,8H,2H2,1H3 ,(H,6,7)/t3-/m0/s1; DVOOXRTYGGLORL-VKHMYHEASA-N |
CNC(CS)C(=O)O; CN[C@@H](CS)C(O)=O; CN[CH ](CS)C(O)=O; CN[C@@H](CS)C(=O)O; O=C(O)C (NC)CS |
N-METHYLCYSTEINE |
| 30499 | NCZ CHEMBL291386 DB08261 ZINC000100036551 |
1 | C18 H18 O6 | InChI=1S/C18H18O6/c1-9-7- 10(23-2)8-12-11(9)3-4-13( 19)16(12)18(22)24-17-14(2 0)5-6-15(17)21/h3-8,14-15 ,17,19-21H,1-2H3/t14-,15+ ,17+; XILHLKXLRFUQFI-QLPKVWCKSA-N |
COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@H](O)C =C[C@@H]3O)c2c1; Cc1cc(cc2c1ccc(c2C(=O)O C3[C@H](C=C[C@H]3O)O)O)OC; O=C(OC1C(O)C= CC1O)c3c2cc(OC)cc(c2ccc3O)C; Cc1cc(cc2c1 ccc(c2C(=O)OC3C(C=CC3O)O)O)OC; COc1cc(C) c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2 c1 |
2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER |
| 30500 | ND | 6 | Nd | InChI=1S/Nd/q+3; UYIXUPGBIXNDHN-UHFFFAOYSA-N |
[Nd+3] | Neodymium Ion |
| 30501 | ND1 | 2 | C30 H29 F4 N5 O2 | InChI=1S/C30H29F4N5O2/c1- 39(2)27(40)9-6-14-35-15-1 6-41-26-13-11-22(19-36-26 )28(21-10-12-25-23(17-21) 29(31)38-37-25)24(18-30(3 2,33)34)20-7-4-3-5-8-20/h 3-13,17,19,35H,14-16,18H2 ,1-2H3,(H,37,38)/b9-6?,28 -24-; JPFTZIJTXCHJNE-LTZHIIGJSA-N |
CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F )F)c2ccccc2)c3ccc4c(c3)c([nH]n4)F; CN(C) C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F) \c2ccccc2)/c3ccc4c(c3)c([nH]n4)F; CN(C)C (=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2c cccc2)c3ccc4n[nH]c(F)c4c3; c1cc(cnc1OCCN C[C@H]=[C@H]C(N(C)C)=O)\C(=C(/c2ccccc2)C C(F)(F)F)c4cc3c(F)nnc3cc4; CN(C)C(=O)\C= C/CNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)c2cccc c2)c3ccc4n[nH]c(F)c4c3 |
(2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide |
| 30502 | ND2 CHEMBL5266181 |
4 | C24 H29 N9 O | InChI=1S/C24H29N9O/c1-24( 8-9-24)34-22-21-20(5-4-19 (28-21)16-12-25-32(3)14-1 6)29-23(30-22)27-17-13-26 -33(15-17)18-6-10-31(2)11 -7-18/h4-5,12-15,18H,6-11 H2,1-3H3,(H,27,29,30); WGMWEVJCHUDPID-UHFFFAOYSA-N |
CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc 5n3)c6cnn(C)c6)cn2; CC1(CC1)Oc2c3c(ccc(n 3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C |
4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine |
| 30503 | ND3 ZINC000230505609 |
1 | C9 H14 O6 | InChI=1S/C9H14O6/c1-8(2)6 (12)5(11)4(10)3-9(8,15)7( 13)14/h4-5,10-11,15H,3H2, 1-2H3,(H,13,14)/t4-,5+,9+ /m1/s1; FWOMLGVRVSLROK-YZNMAWMESA-N |
CC1(C(=O)C(C(CC1(C(=O)O)O)O)O)C; O=C1C(C (O)(C(=O)O)CC(O)C1O)(C)C; CC1(C(=O)[C@H] ([C@@H](C[C@@]1(C(=O)O)O)O)O)C; CC1(C)C( =O)[CH](O)[CH](O)C[C]1(O)C(O)=O; CC1(C)C (=O)[C@@H](O)[C@H](O)C[C@]1(O)C(O)=O |
2,2-dimethyl-3-dehydroquinic acid |
| 30504 | ND4 | 3 | N | InChI=1S/H3N/h1H3/p+1/i/h D4; QGZKDVFQNNGYKY-JBISRTOLSA-O |
[N+]([2H])([2H])([2H])[2H]; [2H][N+]([2H ])([2H])[2H] |
AMMONIUM CATION WITH D |
| 30505 | ND5 CHEMBL4795232 |
2 | C10 H9 Br2 N O4 | InChI=1S/C10H9Br2NO4/c11- 7-3-6(10(16)8(12)4-7)5-13 -17-2-1-9(14)15/h3-5,16H, 1-2H2,(H,14,15)/b13-5+; VPPGEQCITQLSNE-WLRTZDKTSA-N |
OC(=O)CCON=Cc1cc(Br)cc(Br)c1O; c1c(cc(c( c1C=NOCCC(=O)O)O)Br)Br; OC(=O)CCO\N=C\c1 cc(Br)cc(Br)c1O; c1c(cc(c(c1/C=N/OCCC(=O )O)O)Br)Br |
3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid |
| 30506 | ND6 | 1 | C20 H23 N5 O2 | InChI=1S/C20H23N5O2/c1-15 (14-26)17-4-2-16(3-5-17)1 2-20(27)25-10-8-24(9-11-2 5)19-7-6-18(13-21)22-23-1 9/h2-7,15,26H,8-12,14H2,1 H3/t15-/m0/s1; YTRLPBJDLDKLMQ-HNNXBMFYSA-N |
O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C# N)nn1; C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN( CC2)c3ccc(nn3)C#N; C[C@@H](CO)c1ccc(CC(= O)N2CCN(CC2)c3ccc(nn3)C#N)cc1; CC(CO)c1c cc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N; C[ CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C #N)cc1 |
6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile |
| 30507 | ND7 CHEMBL583986 ZINC000004096224 |
2 | C10 H15 N6 O6 P | InChI=1S/C10H15N6O6P/c11- 8-5-9(14-2-13-8)16(3-15-5 )10-7(18)6(17)4(22-10)1-2 1-23(12,19)20/h2-4,6-7,10 ,17-18H,1H2,(H2,11,13,14) (H3,12,19,20)/t4-,6-,7-,1 0-/m1/s1; LDEMREUBLBGZBO-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)O )O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO [P](N)(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n 1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP (=O)(N)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C H](CO[P](N)(O)=O)[CH](O)[CH]3O; OP(OCC3C (C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N |
5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine |
| 30508 | ND8 CHEMBL312607 ZINC000000042511 |
3 | C9 H6 O2 S | InChI=1S/C9H6O2S/c10-9(11 )8-5-6-3-1-2-4-7(6)12-8/h 1-5H,(H,10,11); DYSJMQABFPKAQM-UHFFFAOYSA-N |
c1ccc2c(c1)cc(s2)C(=O)O; OC(=O)c1sc2cccc c2c1 |
benzothiophene 2 carboxylic acid |
| 30509 | ND9 | 1 | C21 H30 Cl N3 O3 | InChI=1S/C21H30ClN3O3/c22 -14-19(26)24-15-16-8-12-2 5(13-9-16)20(27)21(10-6-1 7(23)7-11-21)28-18-4-2-1- 3-5-18/h1-5,16-17H,6-15,2 3H2,(H,24,26)/t17-,21-; KYZPVSMGBRSVOQ-CYWCHRQTSA-N |
N[C@@H]1CC[C@](CC1)(Oc2ccccc2)C(=O)N3CC[ C@H](CC3)CNC(=O)CCl; N[CH]1CC[C](CC1)(Oc 2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl; c1 ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC (=O)CCl |
N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
| 30510 | NDA DB03797 |
1 | C21 H29 N7 O13 P2 | InChI=1S/C21H29N7O13P2/c2 2-4-10-2-1-3-27(5-10)20-1 6(31)14(29)11(39-20)6-37- 42(33,34)41-43(35,36)38-7 -12-15(30)17(32)21(40-12) 28-9-26-13-18(23)24-8-25- 19(13)28/h1-3,5,8-9,11-12 ,14-17,20-21,29-32H,4,6-7 ,22H2,(H3-,23,24,25,33,34 ,35,36)/t11-,12-,14-,15-, 16-,17-,20-,21-/m1/s1; HMCRLFVYYFBZEZ-PLEFRAQWSA-N |
NCc1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-]) (=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[ C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2 O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-] )OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O) O)O)O)CN; c1cc(c[n+](c1)[C@H]2[C@@H]([C@ @H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O) (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5 c4ncnc5N)O)O)O)O)CN; NCc1ccc[n+](c1)[CH] 2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3 O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH ](O)[CH]2O |
3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE |
| 30511 | NDB ZINC000002379127 |
2 | C7 H18 N O4 S | InChI=1S/C7H17NO4S/c1-8(2 ,5-6-9)4-3-7-13(10,11)12/ h9H,3-7H2,1-2H3/p+1; CNXPCGBLGHKAIL-UHFFFAOYSA-O |
C[N+](C)(CCCS(=O)(=O)O)CCO; C[N+](C)(CCO )CCC[S](O)(=O)=O; O=S(=O)(O)CCC[N+](C)(C CO)C |
N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium |
| 30512 | NDC DB03168 |
1 | C27 H35 N7 O15 P2 | InChI=1S/C27H35N7O15P2/c2 8-23-18-25(31-10-30-23)34 (11-32-18)27-22(39)20(37) 17(48-27)9-46-51(43,44)49 -50(41,42)45-8-16-19(36)2 1(38)26(47-16)33-6-5-12(1 4(7-33)24(29)40)13-3-1-2- 4-15(13)35/h5-7,10-11,13, 16-17,19-22,26-27,36-39H, 1-4,8-9H2,(H5-,28,29,30,3 1,40,41,42,43,44)/t13-,16 +,17+,19+,20+,21+,22+,26+ ,27+/m0/s1; HTFHWJHTWKCYLR-RINXRSLZSA-N |
c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H ]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[ P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O 4)n5cnc6c5ncnc6N)O)O)O)O; NC(=O)c1c[n+]( ccc1[CH]2CCCCC2=O)[CH]3O[CH](CO[P]([O-]) (=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4 O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; c1c[n+ ](cc(c1C2CCCCC2=O)C(=O)N)C3C(C(C(O3)COP( =O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n cnc6N)O)O)O)O; NC(=O)c1c[n+](ccc1[C@@H]2 CCCCC2=O)[C@@H]3O[C@H](CO[P]([O-])(=O)O[ P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O )n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O |
NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE |
| 30513 | NDD CHEMBL1205452 DB08262 ZINC000000156288 |
1 | C12 H8 O4 | InChI=1S/C12H8O4/c13-11(1 4)9-3-1-7-5-10(12(15)16)4 -2-8(7)6-9/h1-6H,(H,13,14 )(H,15,16); RXOHFPCZGPKIRD-UHFFFAOYSA-N |
c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O; O=C(O)c1 ccc2c(c1)ccc(C(=O)O)c2; OC(=O)c1ccc2cc(c cc2c1)C(O)=O |
2,6-DICARBOXYNAPHTHALENE |
| 30514 | NDE | 2 | C24 H32 N7 O20 P3 | InChI=1S/C24H32N7O20P3/c2 5-20-14-22(28-7-27-20)31( 8-29-14)24-19(37)17(35)13 (50-24)6-48-54(44,45)51-5 3(42,43)47-5-12-16(34)18( 36)23(49-12)30-2-1-9(10(3 -30)21(26)38)15(33)11(32) 4-46-52(39,40)41/h1-3,7-8 ,12-13,15-19,23-24,33-37H ,4-6H2,(H7-,25,26,27,28,3 8,39,40,41,42,43,44,45)/t 12-,13-,15?,16-,17-,18-,1 9-,23-,24-/m1/s1; IVZPTIKSOMOSEU-WPIGAQFXSA-N |
NC(=O)c1c[n+](ccc1[C@@H](O)C(=O)CO[P](O) (O)=O)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@] (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n 4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1c[n+ ](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[ C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)( [O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([ C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; NC(=O)c 1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH] 3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C H](O)[CH]2O; c1c[n+](cc(c1C(C(=O)COP(=O) (O)O)O)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O )O |
ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT; NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE) |
| 30515 | NDF CHEMBL486146 DB08263 ZINC000026637924 |
4 | C11 H11 N O5 | InChI=1S/C11H11NO5/c13-9( 11(16)17)12-8(10(14)15)6- 7-4-2-1-3-5-7/h1-5,8H,6H2 ,(H,12,13)(H,14,15)(H,16, 17)/t8-/m1/s1; ULQWGBCNOHBNDB-MRVPVSSYSA-N |
OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O; O=C (O)C(=O)NC(C(=O)O)Cc1ccccc1; OC(=O)[CH]( Cc1ccccc1)NC(=O)C(O)=O; c1ccc(cc1)CC(C(= O)O)NC(=O)C(=O)O; c1ccc(cc1)C[C@H](C(=O) O)NC(=O)C(=O)O |
N-(CARBOXYCARBONYL)-D-PHENYLALANINE |
| 30516 | NDG CHEMBL1234669 DB03740 ZINC000003860151 |
0 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6-,7 -,8+/m1/s1; OVRNDRQMDRJTHS-PVFLNQBWSA-N |
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1 O; CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H ](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C ; CC(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@ @H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O |
2-acetamido-2-deoxy-alpha-D-glucopyranose; N-acetyl-alpha-D-glucosamine; 2-acetamido-2-deoxy-alpha-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE |
| 30517 | NDH DB08264 ZINC000000388541 |
1 | C10 H10 O2 | InChI=1S/C10H10O2/c11-9-6 -5-7-3-1-2-4-8(7)10(9)12/ h1-6,9-12H/t9-,10+/m0/s1; QPUHWUSUBHNZCG-VHSXEESVSA-N |
O[CH]1C=Cc2ccccc2[CH]1O; O[C@H]1C=Cc2ccc cc2[C@H]1O; OC2C=Cc1c(cccc1)C2O; c1ccc2c (c1)C=C[C@@H]([C@@H]2O)O; c1ccc2c(c1)C=C C(C2O)O |
(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE; (1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL |
| 30518 | NDI | 1 | C14 H20 N4 O2 | InChI=1S/C14H20N4O2/c1-11 -3-4-15-9-13(11)16-14(20) 10-17-5-7-18(8-6-17)12(2) 19/h3-4,9H,5-8,10H2,1-2H3 ,(H,16,20); YHXAYSKGSZLMHI-UHFFFAOYSA-N |
O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C; Cc1ccn cc1NC(=O)CN2CCN(CC2)C(=O)C; CC(=O)N1CCN( CC1)CC(=O)Nc2cnccc2C |
2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide |
| 30519 | NDJ ZINC000098209217 |
4 | C11 H22 N2 O4 S | InChI=1S/C11H22N2O4S/c1-2 -3-4-12-11(18)13-5-8(15)1 0(17)9(16)7(13)6-14/h7-10 ,14-17H,2-6H2,1H3,(H,12,1 8)/t7-,8+,9+,10-/m1/s1; VCRXDLDGTLMSHK-XFWSIPNHSA-N |
CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO )O)O)O; CCCCNC(=S)N1CC(C(C(C1CO)O)O)O; C CCCNC(=S)N1C[CH](O)[CH](O)[CH](O)[CH]1CO ; CCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H](O )[C@H]1CO; S=C(NCCCC)N1C(C(O)C(O)C(O)C1) CO |
(2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide |
| 30520 | NDK | 1 | C19 H21 F N6 O | InChI=1S/C19H21FN6O/c1-13 (2)19-16(20)9-14(12-22-19 )10-18(27)26-7-5-25(6-8-2 6)17-4-3-15(11-21)23-24-1 7/h3-4,9,12-13H,5-8,10H2, 1-2H3; KVGVKTZXYYUWKQ-UHFFFAOYSA-N |
O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc( C#N)nn1; CC(C)c1ncc(CC(=O)N2CCN(CC2)c3cc c(nn3)C#N)cc1F; CC(C)c1c(cc(cn1)CC(=O)N2 CCN(CC2)c3ccc(nn3)C#N)F |
6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile |
| 30521 | NDM DB01978 ZINC000095921273 |
1 | C7 H14 N5 O | InChI=1S/C7H14N5O/c1-11-3 -12(2)5-4(11)6(13)10-7(8) 9-5/h3,6-7,9-10,13H,8H2,1 -2H3/q+1/t6-,7+/m0/s1; UCYXILDOFXGENE-NKWVEPMBSA-N |
OC2c1[n+](cn(c1NC(N)N2)C)C; Cn1c[n+](C)c 2[CH](O)N[CH](N)Nc12; Cn1c[n+](C)c2[C@H] (O)N[C@H](N)Nc12; Cn1c[n+](c2c1NC(NC2O)N )C |
7,9-DIMETHYLGUANINE |
| 30522 | NDN CHEMBL1234672 |
2 | C9 H12 N3 O10 P | InChI=1S/C9H12N3O10P/c13- 5-1-7(22-6(5)3-21-23(18,1 9)20)11-2-4(12(16)17)8(14 )10-9(11)15/h2,5-7,13H,1, 3H2,(H,10,14,15)(H2,18,19 ,20)/t5-,6+,7+/m0/s1; LVLPVLNNXRTCHP-RRKCRQDMSA-N |
[O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O )C2)COP(=O)(O)O; C1[C@@H]([C@H](O[C@H]1N 2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O )N2C=C(C(=O)NC2=O)[N+]([O-])=O; C1C(C(OC 1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2 C=C(C(=O)NC2=O)[N+]([O-])=O |
2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE); [(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE |
| 30523 | NDO | 1 | C21 H27 N6 O18 P3 | InChI=1S/C21H27N6O18P3/c2 2-17(31)9-2-1-3-26(4-9)20 -15(30)13(28)10(42-20)5-4 0-47(36,37)45-48(38,39)41 -6-11-14(29)16(44-46(33,3 4)35)21(43-11)27-8-25-12- 18(27)23-7-24-19(12)32/h1 -4,7-8,10-11,13-16,20-21, 28-30H,5-6H2,(H6-,22,23,2 4,31,32,33,34,35,36,37,38 ,39)/t10-,11-,13-,14-,15- ,16-,20-,21-/m1/s1; WKSUSMNNBQFESD-NNYOXOHSSA-N |
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([ O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H] (O[P](O)(O)=O)[C@@H]3O)n4cnc5c(O)ncnc45) [C@@H](O)[C@H]2O; c1cc(c[n+](c1)[C@H]2[C @@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[ P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O 3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N ; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-]) OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)OP( =O)(O)O)O)O)O)C(=O)N; NC(=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)n4cn c5c(O)ncnc45)[CH](O)[CH]2O |
NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-ADENINE)-DINUCLEOTIDE PHOSPHATE |
| 30524 | NDP CHEMBL407009 DB02338 ZINC000008215411 |
2599 | C21 H30 N7 O17 P3 | InChI=1S/C21H30N7O17P3/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(44-46(33,34 )35)14(30)11(43-21)6-41-4 8(38,39)45-47(36,37)40-5- 10-13(29)15(31)20(42-10)2 7-3-1-2-9(4-27)18(23)32/h 1,3-4,7-8,10-11,13-16,20- 21,29-31H,2,5-6H2,(H2,23, 32)(H,36,37)(H,38,39)(H2, 22,24,25)(H2,33,34,35)/t1 0-,11-,13-,14-,15-,16-,20 -,21-/m1/s1; ACFIXJIJDZMPPO-NNYOXOHSSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H ]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O )N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(C=CC1 )[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH ]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c (N)ncnc45)[CH](O)[CH]2O; NC(=O)C1=CN(C=C C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@](O)( =O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@ @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O) OP(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N )O)O)O)OP(=O)(O)O)N |
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE |
| 30525 | NDQ ZINC000040447672 |
8 | C12 H19 N4 O8 P2 S | InChI=1S/C12H18N4O8P2S/c1 -8-10(3-4-23-26(20,21)24- 25(17,18)19)27-7-16(8)6-9 -5-14-12(22-2)15-11(9)13/ h5,7H,3-4,6H2,1-2H3,(H4-, 13,14,15,17,18,19,20,21)/ p+1; PWBCVHDHRGCQHM-UHFFFAOYSA-O |
Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP (=O)(O)O; COc1ncc(C[n+]2csc(CCO[P](O)(=O )O[P](O)(O)=O)c2C)c(N)n1 |
2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
| 30526 | NDR CHEMBL1162 DB00717 ZINC000085205451 |
3 | C20 H26 O2 | InChI=1S/C20H26O2/c1-3-20 (22)11-9-18-17-6-4-13-12- 14(21)5-7-15(13)16(17)8-1 0-19(18,20)2/h1,12,15-18, 22H,4-11H2,2H3/t15-,16+,1 7+,18-,19-,20-/m0/s1; VIKNJXKGJWUCNN-XGXHKTLJSA-N |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C) O)CCC4=CC(=O)CC[C@H]34; C[C]12CC[CH]3[CH ](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C; C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H ]34)[C@@H]1CC[C@@]2(O)C#C; CC12CCC3C(C1C CC2(C#C)O)CCC4=CC(=O)CCC34 |
(14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one |
| 30527 | NDS CHEMBL1234674 DB02618 |
15 | C7 H17 N O3 S | InChI=1S/C7H17NO3S/c1-4-8 (2,3)6-5-7-12(9,10)11/h4- 7H2,1-3H3; NNCRHRDBFDCWPA-UHFFFAOYSA-N |
CC[N+](C)(C)CCC[S]([O-])(=O)=O; CC[N+](C )(C)CCCS(=O)(=O)[O-]; [O-]S(=O)(=O)CCC[N +](C)(CC)C |
ETHYL DIMETHYL AMMONIO PROPANE SULFONATE |
| 30528 | NDT CHEMBL168634 DB08265 ZINC000169748506 |
23 | C14 H13 B N2 O3 S | InChI=1S/C14H13BN2O3S/c1- 11-6-8-13(9-7-11)21(19,20 )17-15(18)14-5-3-2-4-12(1 4)10-16-17/h2-10,18H,1H3; UQIDNSKBUXCODH-UHFFFAOYSA-N |
B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O; B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C )O; Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B 2O; O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3 )C |
2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL |
| 30529 | NDU ZINC000103550818 |
13 | C9 H14 N3 O10 P | InChI=1S/C9H14N3O10P/c13- 5-1-7(22-6(5)3-21-23(18,1 9)20)11-2-4(12(16)17)8(14 )10-9(11)15/h4-7,13H,1-3H 2,(H,10,14,15)(H2,18,19,2 0)/t4-,5+,6-,7-/m1/s1; ZYBJIJYGXJSDTC-XZBKPIIZSA-N |
C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N +](=O)[O-])COP(=O)(O)O)O; O[CH]1C[CH](O[ CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+ ]([O-])=O; C1C(C(OC1N2CC(C(=O)NC2=O)[N+] (=O)[O-])COP(=O)(O)O)O; O[C@H]1C[C@@H](O [C@@H]1CO[P](O)(O)=O)N2C[C@H](C(=O)NC2=O )[N+]([O-])=O; [O-][N+](=O)C1C(=O)NC(=O) N(C1)C2OC(C(O)C2)COP(=O)(O)O |
2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE |
| 30530 | NDV ZINC000095921040 |
2 | C16 H21 N3 O4 S | InChI=1S/C16H21N3O4S/c1-1 6(2)12(15(22)23)19-14(24- 16)10(8-20)18-13(21)11(17 )9-6-4-3-5-7-9/h3-8,10-12 ,14,19H,17H2,1-2H3,(H,18, 21)(H,22,23)/t10-,11-,12+ ,14+/m1/s1; WHAIWIUXAXKSOT-NMKXLXIOSA-N |
CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(= O)O)C; CC1([C@@H](N[C@@H](S1)[C@@H](C=O) NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; O=C(NC (C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH ](N)c2ccccc2)C=O; CC1(C)S[C@H](N[C@H]1C( O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O |
(2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
| 30531 | NDW | 1 | C21 H30 N7 O17 P3 | InChI=1S/C21H30N7O17P3/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(44-46(33,34 )35)14(30)11(43-21)6-41-4 8(38,39)45-47(36,37)40-5- 10-13(29)15(31)20(42-10)2 7-3-1-2-9(4-27)18(23)32/h 1,3-4,7-8,10-11,13-16,20- 21,29-31H,2,5-6H2,(H2,23, 32)(H,36,37)(H,38,39)(H2, 22,24,25)(H2,33,34,35)/t1 0-,11-,13-,14-,15-,16-,20 +,21-/m1/s1; ACFIXJIJDZMPPO-OPDHFMQKSA-N |
NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O )O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O) =O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O ; NC(=O)C1=CN(C=CC1)[C@H]2O[C@H](CO[P](O )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O[P ](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@ H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C( O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=C CC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N; c1nc(c 2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3 )COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H] ([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O )(O)O)N |
alpha-NADPH; [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
| 30532 | NDX | 1 | C44 H66 N9 O19 P3 | InChI=1S/C44H66N9O19P3/c1 -42(2,3)51-39(59)26-8-7-2 4-21-6-9-29-44(5,25(21)10 -12-43(24,26)4)14-22(38(5 8)50-29)20-11-13-52(15-23 (20)36(46)57)40-33(56)31( 54)27(69-40)16-67-74(63,6 4)72-75(65,66)68-17-28-32 (55)34(71-73(60,61)62)41( 70-28)53-19-49-30-35(45)4 7-18-48-37(30)53/h11,13,1 5,18-22,24-29,31-34,40-41 ,54-56H,6-10,12,14,16-17H 2,1-5H3,(H2,46,57)(H,50,5 8)(H,51,59)(H,63,64)(H,65 ,66)(H2,45,47,48)(H2,60,6 1,62)/t20-,21+,22+,24+,25 +,26-,27-,28-,29-,31-,32- ,33-,34-,40-,41-,43+,44-/ m1/s1; SBPCUEDRMWGINQ-DAPYLVMHSA-N |
CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC (=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN (C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P]( O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH ]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O; CC12 CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(CC(C(= O)N4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O )(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N )OP(=O)(O)O)O)O)O)C; C[C@]12CC[C@H]3[C@H ]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H ]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O) N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O )OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7 )n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C; CC(C )(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N C(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)[C@ H]5C=CN(C=C5C(N)=O)[C@@H]6O[C@H](CO[P](O )(=O)O[P](O)(=O)OC[C@H]7O[C@H]([C@H](O[P ](O)(O)=O)[C@@H]7O)n8cnc9c(N)ncnc89)[C@@ H](O)[C@H]6O |
[[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
| 30533 | NDY CHEMBL3233398 ZINC000098209218 |
1 | C15 H18 O6 | InChI=1S/C15H18O6/c16-11( 6-9-4-2-1-3-5-9)10-7-15(2 1,14(19)20)8-12(17)13(10) 18/h1-5,7,11-13,16-18,21H ,6,8H2,(H,19,20)/t11-,12- ,13-,15+/m1/s1; TUXIFONUTATTJM-BHPKHCPMSA-N |
O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2; O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH] 1O)C(O)=O; c1ccc(cc1)C[C@H](C2=C[C@](C[C @H]([C@@H]2O)O)(C(=O)O)O)O; O[C@@H]1C[C@ @](O)(C=C([C@H](O)Cc2ccccc2)[C@H]1O)C(O) =O; c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O) O)O |
(1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid |
| 30534 | NDZ CHEMBL221868 ZINC000035838253 |
5 | C11 H17 N O8 | InChI=1S/C11H17NO8/c12-4( 9(15)16)1-11(10(17)18)2-6 -8(20-11)7(14)5(13)3-19-6 /h4-8,13-14H,1-3,12H2,(H, 15,16)(H,17,18)/t4-,5+,6+ ,7+,8-,11+/m0/s1; NRTJEXLNSCGBJU-FQYLSUDWSA-N |
C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O ; C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O) O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O; N[C@@H] (C[C@@]1(C[C@H]2OC[C@@H](O)[C@@H](O)[C@H ]2O1)C(O)=O)C(O)=O; O=C(O)C(N)CC2(OC1C(O CC(O)C1O)C2)C(=O)O; N[CH](C[C]1(C[CH]2OC [CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O |
(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid |
| 30535 | NE0 | 1 | C9 H16 N2 O18 P4 | InChI=1S/C9H16N2O18P4/c12 -5-1-2-11(9(14)10-5)8-7(2 7-30(15,16)17)6(13)4(26-8 )3-25-32(21,22)29-33(23,2 4)28-31(18,19)20/h1-2,4,6 -8,13H,3H2,(H,21,22)(H,23 ,24)(H,10,12,14)(H2,15,16 ,17)(H2,18,19,20)/t4-,6-, 7-,8-/m1/s1; OATQDFNIQGUFQP-XVFCMESISA-N |
O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O )(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O )NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP( =O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@ H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP (=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(=O)O[P ](O)(=O)O[P](O)(O)=O)O[C@H]([C@@H]1O[P]( O)(O)=O)N2C=CC(=O)NC2=O |
[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 30536 | NE1 CHEMBL1234676 |
2 | C12 H5 Cl5 O | InChI=1S/C12H5Cl5O/c13-7- 2-1-6(10(16)11(7)17)5-3-8 (14)12(18)9(15)4-5/h1-4,1 8H; YICLFMBHTHJFHZ-UHFFFAOYSA-N |
Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl; Clc 2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl; c1cc (c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl |
2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL |
| 30537 | NE2 CHEMBL1234677 ZINC000006092189 |
2 | C12 H6 Cl4 O | InChI=1S/C12H6Cl4O/c13-8- 2-1-6(3-9(8)14)7-4-10(15) 12(17)11(16)5-7/h1-5,17H; RQGVZEFZWFEKQR-UHFFFAOYSA-N |
Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl; c1cc( c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl; Oc1c(Cl) cc(cc1Cl)c2ccc(Cl)c(Cl)c2 |
3,3',4',5-TETRACHLOROBIPHENYL-4-OL |
| 30538 | NE3 | 1 | C20 H20 F N5 O | InChI=1S/C20H20FN5O/c21-1 8-11-14(1-5-17(18)15-2-3- 15)12-20(27)26-9-7-25(8-1 0-26)19-6-4-16(13-22)23-2 4-19/h1,4-6,11,15H,2-3,7- 10,12H2; SDZXVXWCRYXAOH-UHFFFAOYSA-N |
O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc( C#N)nn1; Fc1cc(CC(=O)N2CCN(CC2)c3ccc(nn3 )C#N)ccc1C4CC4; c1cc(c(cc1CC(=O)N2CCN(CC 2)c3ccc(nn3)C#N)F)C4CC4 |
6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile |
| 30539 | NE4 CHEMBL489140 ZINC000004102257 |
2 | C20 H30 O2 | InChI=1S/C20H30O2/c1-13-1 1-20-10-7-15-18(2,16(20)6 -5-14(13)12-20)8-4-9-19(1 5,3)17(21)22/h14-16H,1,4- 12H2,2-3H3,(H,21,22)/t14- ,15+,16+,18-,19-,20-/m1/s 1; NIKHGUQULKYIGE-OTCXFQBHSA-N |
C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[ C@H](C3)C(=C)C4)(C)C(=O)O; C324C(C1(CCCC (C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4; CC12 CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O; C[C@@]12CCC[C@](C)([C@H]1CC[C@@]34C[C@@H ](CC[C@@H]23)C(=C)C4)C(O)=O; C[C]12CCC[C ](C)([CH]1CC[C]34C[CH](CC[CH]23)C(=C)C4) C(O)=O |
(8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid; ent-kaurenoic acid |
| 30540 | NE5 | 1 | C24 H16 N2 O8 | InChI=1S/C24H16N2O8/c27-1 8-11-10-16(12-17(18)24(31 )32)25-20(13-6-8-15(9-7-1 3)26(33)34)19(22(29)23(25 )30)21(28)14-4-2-1-3-5-14 /h1-12,20,27,29H,(H,31,32 )/q+1/t20-/m1/s1; JFULNDGRPQGBFO-HXUWFJFHSA-N |
c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[ N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O; OC(=O)c 1cc(ccc1O)N2[C@H](c3ccc(cc3)[N+](=O)=O)C (=C(O)C2=O)C(=O)c4ccccc4; OC(=O)c1cc(ccc 1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2 =O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C2=C(C( =O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c (c4)C(=O)O)O)O |
5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid |
| 30541 | NE6 DB08266 |
6 | C23 H31 N O6 | InChI=1S/C23H31NO6/c1-6-9 -15(2)11-12-17(4)21(26)20 -18(25)14-19(30-22(20)27) 16(3)10-7-8-13-24-23(28)2 9-5/h11-14,16,20H,6-10H2, 1-5H3/b15-11+,17-12+,24-1 3+/t16-,20?/m1/s1; LTDLIPXLSBMTFP-FSAISGGASA-N |
CCCC(C)=CC=C(C)C(=O)[CH]1C(=O)OC(=CC1=O) [CH](C)CCCC=NC(=O)OC; CCCC(/C)=C/C=C(C)/ C(=O)[C@H]1C(=O)OC(=CC1=O)[C@H](C)CCCC=N C(=O)OC; CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C= C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C; O=C( \C(=C\C=C(/C)CCC)C)C1C(=O)C=C(OC1=O)C(C) CCC\C=N\C(=O)OC; CCCC(=CC=C(C)C(=O)C1C(= O)C=C(OC1=O)C(C)CCCC=NC(=O)OC)C |
methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate |
| 30542 | NE7 CHEMBL4456326 |
2 | C30 H42 N2 O8 S | InChI=1S/C30H42N2O8S/c1-4 -20(2)17-32(41(36,37)24-1 2-10-23(11-13-24)21(3)33) 18-27(34)26(16-22-8-6-5-7 -9-22)31-30(35)40-28-19-3 9-29-25(28)14-15-38-29/h5 -13,20-21,25-29,33-34H,4, 14-19H2,1-3H3,(H,31,35)/t 20-,21+,25-,26-,27+,28-,2 9+/m0/s1; SPEKXEILCYOTSL-COKGOQGVSA-N |
CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N C(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)( =O)c4ccc(cc4)[C@@H](C)O; CCC(C)CN(CC(C(C c1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O) c4ccc(cc4)C(C)O; C(C(Cc1ccccc1)NC(OC2C3C (OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C )O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](C c1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO 3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O; CC[CH ](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH ]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4) [CH](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
| 30543 | NE8 DB08267 ZINC000033836604 |
5 | C17 H15 N5 O | InChI=1S/C17H15N5O/c18-17 -21-14-11(7-6-10-4-2-1-3- 5-10)15-13(19-9-20-15)8-1 2(14)16(23)22-17/h1-5,8-9 H,6-7H2,(H,19,20)(H3,18,2 1,22,23); PBZAIUVFRISTSZ-UHFFFAOYSA-N |
c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]c n3; NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(= O)N1; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc 4)N |
6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE |
| 30544 | NE9 | 1 | C22 H29 Cl2 N3 O3 | InChI=1S/C22H29Cl2N3O3/c2 3-15-19(28)25-18-13-21(14 -18)5-9-27(10-6-21)20(29) 22(7-11-30-12-8-22)26-17- 3-1-16(24)2-4-17/h1-4,18, 26H,5-15H2,(H,25,28); BCCVMEZMRYSIML-UHFFFAOYSA-N |
c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C 4)NC(=O)CCl)Cl; ClCC(=O)NC1CC2(CCN(CC2)C (=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1 |
2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide |
| 30545 | NEA CHEMBL563938 ZINC000005941246 |
14 | C12 H18 N6 O3 S | InChI=1S/C12H18N6O3S/c13- 1-2-22-3-6-8(19)9(20)12(2 1-6)18-5-17-7-10(14)15-4- 16-11(7)18/h4-6,8-9,12,19 -20H,1-3,13H2,(H2,14,15,1 6)/t6-,8-,9-,12-/m1/s1; APAPOJUCRZTCHD-WOUKDFQISA-N |
NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc 3c(N)ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@ @H]([C@@H]([C@H](O3)CSCCN)O)O)N; n2c1c(n cnc1n(c2)C3OC(C(O)C3O)CSCCN)N; c1nc(c2c( n1)n(cn2)C3C(C(C(O3)CSCCN)O)O)N; NCCSC[C H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE |
| 30546 | NEB | 0 | C6 H15 N2 O3 | InChI=1S/C6H14N2O3/c7-2-1 -3(8)5(10)6(11)4(2)9/h2-6 ,9-11H,1,7-8H2/p+1/t2-,3+ ,4+,5-,6-; DTFAJAKTSMLKAT-JDCCYXBGSA-O |
C1C(C(C(C(C1N)O)O)O)[NH3+]; N[CH]1C[CH]( [NH3+])[CH](O)[CH](O)[CH]1O; N[C@H]1C[C@ @H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O; OC 1C(N)CC(C(O)C1O)[NH3+]; C1[C@H]([C@@H]([ C@H]([C@@H]([C@H]1N)O)O)O)[NH3+] |
2-DEOXY-D-STREPTAMINE |
| 30547 | NEC CHEMBL464859 ZINC000003995401 |
11 | C12 H16 N6 O4 | InChI=1S/C12H16N6O4/c1-2- 14-11(21)8-6(19)7(20)12(2 2-8)18-4-17-5-9(13)15-3-1 6-10(5)18/h3-4,6-8,12,19- 20H,2H2,1H3,(H,14,21)(H2, 13,15,16)/t6-,7+,8-,12+/m 0/s1; JADDQZYHOWSFJD-FLNNQWSLSA-N |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2 cnc3c(N)ncnc23; CCNC(=O)[C@@H]1[C@H]([C@ H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CCNC(=O )C1C(C(C(O1)n2cnc3c2ncnc3N)O)O; O=C(NCC) C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCNC(=O)[ CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
N-ETHYL-5'-CARBOXAMIDO ADENOSINE |
| 30548 | NED | 0 | C6 H16 N2 O4 | InChI=1/C6H14N2O4/c7-1-2- 4(9)5(10)3(8)6(11)12-2/h2 -6,9-11H,1,7-8H2/p+2/t2-, 3+,4+,5+,6-/m0/s1/fC6H16N 2O4/h7-8H/q+2; SQTHUUHOUPJYLK-QFMCUJGMDC |
[NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[ CH]1O; C([C@H]1[C@H]([C@@H]([C@H]([C@H]( O1)O)[NH3+])O)O)[NH3+]; [NH3+]C[C@@H]1O[ C@H](O)[C@H]([NH3+])[C@@H](O)[C@@H]1O; C (C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]; OC1C( O)C(OC(O)C1[NH3+])C[NH3+] |
2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE |
| 30549 | NEE CHEMBL2326053 ZINC000095581655 |
1 | C18 H17 Cl N2 O | InChI=1S/C18H17ClN2O/c1-1 3-8-17(9-14(2)18(13)19)22 -16-5-3-4-15(10-16)11-21- 7-6-20-12-21/h3-10,12H,11 H2,1-2H3; KRDUMXYLMIWMMP-UHFFFAOYSA-N |
Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3; Cc1 cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl; Clc3c( cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C |
1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole |
| 30550 | NEF | 3 | C21 H18 N4 O9 S2 | InChI=1S/C21H18N4O9S2/c26 -16(9-14-2-1-7-35-14)22-1 8(21(29)30)19-23-17(20(27 )28)12(10-36-19)4-3-11-5- 6-13(24(31)32)8-15(11)25( 33)34/h1-8,18-19,23H,9-10 H2,(H,22,26)(H,27,28)(H,2 9,30)/b4-3+/t18-,19+/m0/s 1; PYBZXZZHQKFSGC-CZHQAMEJSA-N |
OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2 )C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C (O)=O; c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=C c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O) O)C(=O)O; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2 NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+ ](=O)[O-])C(=O)O)C(=O)O; OC(=O)[C@@H](NC (=O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc (cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
Nitrocefin - open form; (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
| 30551 | NEG CHEMBL78628 |
0 | C9 H20 N4 O4 | InChI=1S/C9H20N4O4/c1-13( 5-9(16)17)12-8(15)3-6(11) 2-7(14)4-10/h6-7,14H,2-5, 10-11H2,1H3,(H,12,15)(H,1 6,17)/t6-,7-/m1/s1; IKHFJPZQZVMLRH-RNFRBKRXSA-N |
O=C(O)CN(NC(=O)CC(N)CC(O)CN)C; C[N@@](CC (=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N; CN(CC (O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN; CN(CC (O)=O)NC(=O)C[CH](N)C[CH](O)CN; CN(CC(=O )O)NC(=O)CC(CC(CN)O)N |
NEGAMYCIN; 3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE |
| 30552 | NEH CHEMBL14449 |
22 | C2 H7 N | InChI=1S/C2H7N/c1-2-3/h2- 3H2,1H3; QUSNBJAOOMFDIB-UHFFFAOYSA-N |
CCN; NCC | ETHANAMINE |
| 30553 | NEI ZINC000016052106 |
2 | C12 H15 I N6 O4 | InChI=1S/C12H15IN6O4/c1-2 -15-10(22)7-5(20)6(21)11( 23-7)19-3-16-4-8(14)17-12 (13)18-9(4)19/h3,5-7,11,2 0-21H,2H2,1H3,(H,15,22)(H 2,14,17,18)/t5-,6+,7-,11+ /m0/s1; YEBHQRSEUJCFMN-QMWPFBOUSA-N |
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2c nc3c2nc(nc3N)I)O)O; CCNC(=O)C1C(C(C(O1)n 2cnc3c2nc(nc3N)I)O)O; Ic1nc(c2ncn(c2n1)C 3OC(C(=O)NCC)C(O)C3O)N; CCNC(=O)[CH]1O[C H]([CH](O)[CH]1O)n2cnc3c(N)nc(I)nc23; CC NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn c3c(N)nc(I)nc23 |
(2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE |
| 30554 | NEJ CHEMBL4441340 |
2 | C30 H42 N2 O8 S | InChI=1S/C30H42N2O8S/c1-4 -20(2)17-32(41(36,37)24-1 2-10-23(11-13-24)21(3)33) 18-27(34)26(16-22-8-6-5-7 -9-22)31-30(35)40-28-19-3 9-29-25(28)14-15-38-29/h5 -13,20-21,25-29,33-34H,4, 14-19H2,1-3H3,(H,31,35)/t 20-,21-,25-,26-,27+,28-,2 9+/m0/s1; SPEKXEILCYOTSL-DYJPOHNRSA-N |
CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C CO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC[C@H]( C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C @H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4ccc (cc4)[C@H](C)O; C(C(Cc1ccccc1)NC(OC2C3C( OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C) O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](Cc 1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3 )O)S(=O)(=O)c4ccc(cc4)[C@H](C)O; CC[CH]( C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2 CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[C H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate |
| 30555 | NEK CHEMBL4761303 |
0 | C10 H11 N O4 | InChI=1S/C10H11NO4/c12-9- 3-1-8(2-4-9)7-11-15-6-5-1 0(13)14/h1-4,7,12H,5-6H2, (H,13,14)/b11-7+; RWWIOUDUCKNDSJ-YRNVUSSQSA-N |
c1cc(ccc1C=NOCCC(=O)O)O; OC(=O)CCON=Cc1c cc(O)cc1; c1cc(ccc1/C=N/OCCC(=O)O)O; OC( =O)CCO\N=C\c1ccc(O)cc1 |
3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid |
| 30556 | NEL | 1 | C15 H12 Cl N3 O | InChI=1S/C15H12ClN3O/c16- 11-4-1-3-10(7-11)8-15(20) 18-13-5-2-6-14-12(13)9-17 -19-14/h1-7,9H,8H2,(H,17, 19)(H,18,20); CYQCEAJKJVOFMS-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12; c1c c(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3; Clc1 cccc(CC(=O)Nc2cccc3[nH]ncc23)c1 |
2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide |
| 30557 | NEM | 0 | C7 H11 N3 O2 | InChI=1/C7H11N3O2/c1-10-3 -5(9-4-10)2-6(8)7(11)12/h 3-4,6H,2,8H2,1H3,(H,11,12 )/t6-/m0/s1/f/h11H; BRMWTNUJHUMWMS-LBISWHJPDF |
Cn1cc(nc1)CC(C(=O)O)N; Cn1cnc(C[CH](N)C( O)=O)c1; Cn1cc(nc1)C[C@@H](C(=O)O)N; Cn1 cnc(C[C@H](N)C(O)=O)c1; O=C(O)C(N)Cc1ncn (c1)C |
NE2-METHYLATED HISTIDINE |
| 30558 | NEN DB01902 ZINC000001670837 |
17 | C6 H9 N O2 | InChI=1S/C6H9NO2/c1-2-7-5 (8)3-4-6(7)9/h2-4H2,1H3; GHAZCVNUKKZTLG-UHFFFAOYSA-N |
CCN1C(=O)CCC1=O; O=C1N(C(=O)CC1)CC | 1-ETHYL-PYRROLIDINE-2,5-DIONE |
| 30559 | NEO DB02385 ZINC000018169010 |
1 | C9 H11 N5 O4 | InChI=1S/C9H11N5O4/c10-9- 13-7-5(8(18)14-9)12-3(1-1 1-7)6(17)4(16)2-15/h1,4,6 ,15-17H,2H2,(H3,10,11,13, 14,18)/t4-,6-/m1/s1; BMQYVXCPAOLZOK-INEUFUBQSA-N |
c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO) O)O; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O; NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO; NC1=Nc2ncc(nc2C(=O)N1)[C@@H](O)[C@H](O) CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO |
NEOPTERIN |
| 30560 | NEP | 0 | C6 H10 N3 O5 P | InChI=1S/C6H10N3O5P/c7-5( 6(10)11)1-4-2-9(3-8-4)15( 12,13)14/h2-3,5H,1,7H2,(H ,10,11)(H2,12,13,14)/t5-/ m0/s1; MOYPZVWCTBPWEH-YFKPBYRVSA-N |
O=P(O)(O)n1cc(nc1)CC(C(=O)O)N; N[CH](Cc1 cn(cn1)[P](O)(O)=O)C(O)=O; c1c(ncn1P(=O) (O)O)CC(C(=O)O)N; c1c(ncn1P(=O)(O)O)C[C@ @H](C(=O)O)N; N[C@@H](Cc1cn(cn1)[P](O)(O )=O)C(O)=O |
N1-PHOSPHONOHISTIDINE |
| 30561 | NEQ CHEMBL8211 DB02967 ZINC000000901367 |
11 | C6 H7 N O2 | InChI=1S/C6H7NO2/c1-2-7-5 (8)3-4-6(7)9/h3-4H,2H2,1H 3; HDFGOPSGAURCEO-UHFFFAOYSA-N |
CCN1C(=O)C=CC1=O; O=C1C=CC(=O)N1CC | N-ETHYLMALEIMIDE |
| 30562 | NER CHEMBL1173379 ZINC000006920440 |
0 | C24 H46 O2 | InChI=1S/C24H46O2/c1-2-3- 4-5-6-7-8-9-10-11-12-13-1 4-15-16-17-18-19-20-21-22 -23-24(25)26/h9-10H,2-8,1 1-23H2,1H3,(H,25,26)/b10- 9-; GWHCXVQVJPWHRF-KTKRTIGZSA-N |
CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O; CCCCCC CCC=CCCCCCCCCCCCCCC(=O)O; CCCCCCCC\C=C/C CCCCCCCCCCCCC(=O)O; CCCCCCCCC=CCCCCCCCCC CCCCC(O)=O; O=C(O)CCCCCCCCCCCCC\C=C/CCCC CCCC |
(15E)-TETRACOS-15-ENOIC ACID; CIS-15-TETRACOSENOIC ACID |
| 30563 | NES DB02371 ZINC000001530141 |
7 | C6 H15 N O6 S | InChI=1S/C6H15NO6S/c8-3-6 (4-9,5-10)7-1-2-14(11,12) 13/h7-10H,1-5H2,(H,11,12, 13); JOCBASBOOFNAJA-UHFFFAOYSA-N |
O=S(=O)(O)CCNC(CO)(CO)CO; C(CS(=O)(=O)O) NC(CO)(CO)CO; OCC(CO)(CO)NCC[S](O)(=O)=O |
2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID |
| 30564 | NET CHEMBL9324 DB08837 ZINC000000896981 |
0 | C8 H20 N | InChI=1S/C8H20N/c1-5-9(6- 2,7-3)8-4/h5-8H2,1-4H3/q+ 1; CBXCPBUEXACCNR-UHFFFAOYSA-N |
CC[N+](CC)(CC)CC | TETRAETHYLAMMONIUM ION |
| 30565 | NEU DB15050 ZINC000012428336 |
11 | C9 H11 N5 O4 | InChI=1S/C9H11N5O4/c10-9- 13-7-5(8(18)14-9)12-3(1-1 1-7)6(17)4(16)2-15/h1,4,6 ,15-17H,2H2,(H3,10,11,13, 14,18)/t4-,6+/m1/s1; BMQYVXCPAOLZOK-XINAWCOVSA-N |
NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO ; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O; c1 c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O )O; NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O) CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO |
L-NEOPTERIN; 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE |
| 30566 | NEV | 0 | C15 H14 N4 O | InChI=1/C15H14N4O/c1-9-6- 8-17-14-12(9)18-15(20)11- 3-2-7-16-13(11)19(14)10-4 -5-10/h2-3,6-8,10H,4-5H2, 1H3,(H,18,20)/f/h18H; NQDJXKOVJZTUJA-GPQMBLKYCB |
Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1 NC(=O)c3cccnc3N2C4CC4 |
NEVIRAPINE |
| 30567 | NEW | 0 | C12 H6 Cl4 O2 | InChI=1/C12H6Cl4O2/c13-7- 1-5(2-8(14)11(7)17)6-3-9( 15)12(18)10(16)4-6/h1-4,1 7-18H; YCYDXOVJXVALHY-UHFFFAOYAL |
Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1 c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc 1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2 |
3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL |
| 30568 | NEX | 0 | C40 H56 O4 | InChI=1S/C40H56O4/c1-29(1 7-13-19-31(3)21-22-35-36( 5,6)25-33(41)27-38(35,9)4 3)15-11-12-16-30(2)18-14- 20-32(4)23-24-40-37(7,8)2 6-34(42)28-39(40,10)44-40 /h11-21,23-24,33-34,41-43 H,25-28H2,1-10H3/b12-11+, 17-13+,18-14+,24-23+,29-1 5+,30-16+,31-19+,32-20-/t 22-,33-,34-,38+,39+,40-/m 0/s1; PGYAYSRVSAJXTE-OQASCVKESA-N |
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C) O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O) (C)C; CC(=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C ]1C(C)(C)C[CH](O)C[C]1(C)O)C=CC=C(C)C=C[ C]23O[C]2(C)C[CH](O)CC3(C)C; CC(=C/C=C/C =C(C)/C=C/C=C(C)/[CH]=[C@@]=[C]1C(C)(C)C [C@H](O)C[C@@]1(C)O)\C=C\C=C(C)/C=C/[C@@ ]23O[C@]2(C)C[C@@H](O)CC3(C)C; OC3CC(\C( =C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C \C12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3 )(C)C; C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C= C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C( \C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C )C |
(1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL; (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL; 9'-CIS-NEOXANTHIN |
| 30569 | NEZ DB08268 ZINC000016051686 |
3 | C18 H17 N5 O | InChI=1S/C18H17N5O/c1-10- 2-4-11(5-3-10)6-7-12-15-1 3(17(24)23-18(19)22-15)8- 14-16(12)21-9-20-14/h2-5, 8-9H,6-7H2,1H3,(H,20,21)( H3,19,22,23,24); SPVJRTJUEVXOMS-UHFFFAOYSA-N |
Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH] cn3; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc 4)C)N; Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(= Nc24)N)cc1 |
6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE |
| 30570 | NF | 0 | C31 H30 N4 O4 | InChI=1S/C31H28N4O4/c36-2 8-22-10-1-6-20-7-2-11-23( 26(20)22)29(37)34(28)18-1 6-32-14-5-15-33-17-19-35- 30(38)24-12-3-8-21-9-4-13 -25(27(21)24)31(35)39/h1- 4,6-13,32-33H,5,14-19H2/p +2; QUNOQBDEVTWCTA-UHFFFAOYSA-P |
O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4c ccc(C2=O)c34)C(=O)c5cccc6cccc1c56; O=C3c 1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]C CN6C(=O)c5cccc4cccc(c45)C6=O; c1cc2cccc3 c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4 C(=O)c5cccc6c5c(ccc6)C4=O |
N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE; LU-79553 |
| 30571 | NF0 CHEMBL494005 ZINC000001665979 |
24 | C11 H14 O5 | InChI=1S/C11H14O5/c1-2-3- 4-16-11(15)7-5-8(12)10(14 )9(13)6-7/h5-6,12-14H,2-4 H2,1H3; XOPOEBVTQYAOSV-UHFFFAOYSA-N |
CCCCOC(=O)c1cc(c(c(c1)O)O)O; CCCCOC(=O)c 1cc(O)c(O)c(O)c1 |
butyl 3,4,5-tris(oxidanyl)benzoate; butyl gallate |
| 30572 | NF1 CHEMBL4592668 ZINC000224698038 |
1 | C18 H16 N4 O2 S | InChI=1S/C18H16N4O2S/c1-1 1-20-21-15(25-11)10-19-8- 9-22-17(23)13-6-2-4-12-5- 3-7-14(16(12)13)18(22)24/ h2-7,19H,8-10H2,1H3; YHPDOCZSFWEMOD-UHFFFAOYSA-N |
O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4) C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4) C2=O; Cc1sc(CNCCN2C(=O)c3cccc4cccc(C2=O) c34)nn1 |
2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| 30573 | NF2 ZINC000058638767 |
0 | C12 H15 F2 O7 P | InChI=1S/C12H15F2O7P/c1-5 -2-6(8(14)3-7(5)13)12-11( 16)10(15)9(21-12)4-20-22( 17,18)19/h2-3,9-12,15-16H ,4H2,1H3,(H2,17,18,19)/t9 -,10-,11-,12+/m1/s1; DMROPYMHNVLDPZ-KKOKHZNYSA-N |
Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C H]2O)c(F)cc1F; Cc1cc([C@@H]2O[C@H](CO[P] (O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F; O=P( OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O; Cc1 cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2 )COP(=O)(O)O)O)O; Cc1cc(c(cc1F)F)C2C(C(C (O2)COP(=O)(O)O)O)O |
(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL |
| 30574 | NF3 ZINC000100004911 |
2 | C6 H8 O4 | InChI=1S/C6H8O4/c1-2-10-6 (9)4-3-5(7)8/h3-4H,2H2,1H 3,(H,7,8)/b4-3-; XLYMOEINVGRTEX-ARJAWSKDSA-N |
CCOC(=O)C=CC(O)=O; CCOC(=O)C=CC(=O)O; CC OC(=O)/C=C\C(=O)O; CCOC(=O)\C=C/C(O)=O |
(~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid |
| 30575 | NF4 CHEMBL4570309 |
2 | C31 H44 N2 O8 S | InChI=1S/C31H44N2O8S/c1-4 -22(5-2)18-33(42(37,38)25 -13-11-24(12-14-25)21(3)3 4)19-28(35)27(17-23-9-7-6 -8-10-23)32-31(36)41-29-2 0-40-30-26(29)15-16-39-30 /h6-14,21-22,26-30,34-35H ,4-5,15-20H2,1-3H3,(H,32, 36)/t21-,26-,27-,28+,29-, 30+/m0/s1; QJTBJHOQMPDSSA-ACNJIEPASA-N |
CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(= O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O) c4ccc(cc4)[C@H](C)O; C(C)C(CN(CC(C(Cc1cc ccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C (C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](C c1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S ](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(C C(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O )(=O)c4ccc(cc4)C(C)O; CCC(CC)CN(C[C@H]([ C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@ H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
| 30576 | NF5 CHEMBL3355057 ZINC000213028927 |
6 | C17 H17 Br N2 O | InChI=1S/C17H17BrN2O/c18- 15-4-1-13(2-5-15)17(21)20 -16-6-3-12-7-9-19-10-8-14 (12)11-16/h1-6,11,19H,7-1 0H2,(H,20,21); YMOUEQZHQYODQT-UHFFFAOYSA-N |
Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2; c1cc( ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br; Brc1ccc( cc1)C(=O)Nc2cc3c(cc2)CCNCC3 |
4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide |
| 30577 | NF6 CHEMBL4544229 ZINC000224698099 |
1 | C20 H21 N5 O2 S | InChI=1S/C20H21N5O2S/c1-1 2-22-23-17(28-12)11-21-9- 10-25-19(26)14-6-4-5-13-1 6(24(2)3)8-7-15(18(13)14) 20(25)27/h4-8,21H,9-11H2, 1-3H3; MZVBLDCRQKXSHR-UHFFFAOYSA-N |
O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4 nnc(s4)C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3 c(ccc4N(C)C)C2=O; CN(C)c1ccc2C(=O)N(CCNC c3sc(C)nn3)C(=O)c4cccc1c24 |
6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| 30578 | NF7 CHEMBL4459766 |
4 | C29 H40 N2 O9 S | InChI=1S/C29H40N2O9S/c1-1 9(2)15-31(41(36,37)22-10- 8-21(9-11-22)26(34)17-32) 16-25(33)24(14-20-6-4-3-5 -7-20)30-29(35)40-27-18-3 9-28-23(27)12-13-38-28/h3 -11,19,23-28,32-34H,12-18 H2,1-2H3,(H,30,35)/t23-,2 4-,25+,26-,27-,28+/m0/s1; PRPRGSSTKWEYGS-HJCZHRQASA-N |
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O) O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4 ccc(cc4)[C@@H](O)CO; CC(C)CN(C[CH](O)[CH ](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23 )[S](=O)(=O)c4ccc(cc4)[CH](O)CO; CC(C)CN (C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[ C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C @H](CO)O; C(C(Cc1ccccc1)NC(OC2C3C(OC2)OC C3)=O)(CN(CC(C)C)S(c4ccc(cc4)C(CO)O)(=O) =O)O; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CO C3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
| 30579 | NF8 | 1 | C6 H11 F O4 | InChI=1S/C6H11FO4/c7-3-2- 11-4(1-8)6(10)5(3)9/h3-6, 8-10H,1-2H2/t3-,4+,5+,6+/ m0/s1; JEWFVWVAXVTBRL-SLPGGIOYSA-N |
OC[CH]1OC[CH](F)[CH](O)[CH]1O; C1C(C(C(C (O1)CO)O)O)F; C1[C@@H]([C@H]([C@@H]([C@H ](O1)CO)O)O)F; OC[C@H]1OC[C@H](F)[C@@H]( O)[C@@H]1O |
(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol |
| 30580 | NF9 | 1 | C21 H29 Cl2 N3 O3 | InChI=1S/C21H29Cl2N3O3/c2 2-15-19(27)24-10-5-16-6-1 1-26(12-7-16)20(28)21(8-1 3-29-14-9-21)25-18-3-1-17 (23)2-4-18/h1-4,16,25H,5- 15H2,(H,24,27); CERKFXQSEPXGMS-UHFFFAOYSA-N |
ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3c cc(Cl)cc3; c1cc(ccc1NC2(CCOCC2)C(=O)N3CC C(CC3)CCNC(=O)CCl)Cl |
2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide |
| 30581 | NFA CHEMBL350320 DB04029 ZINC000016051972 |
14 | C9 H12 N2 O | InChI=1S/C9H12N2O/c10-8(9 (11)12)6-7-4-2-1-3-5-7/h1 -5,8H,6,10H2,(H2,11,12)/t 8-/m0/s1; OBSIQMZKFXFYLV-QMMMGPOBSA-N |
N[CH](Cc1ccccc1)C(N)=O; N[C@@H](Cc1ccccc 1)C(N)=O; O=C(N)C(N)Cc1ccccc1; c1ccc(cc1 )CC(C(=O)N)N; c1ccc(cc1)C[C@@H](C(=O)N)N |
PHENYLALANINE AMIDE |
| 30582 | NFB | 0 | C3 H2 Fe N Ni O3 | InChI=1/CN.2CHO.Fe.Ni.O/c 3*1-2;;;/h;2*1H;;;/rC3H2F eNNiO3/c5-1-4(2-7,3-8)9-6 /h2-3H; FQZPNHHVQDQMNS-YIXQKJCHAH |
[Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)( C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni] |
NI-FE ACTIVE CENTER B-FORM |
| 30583 | NFC | 2 | C3 H2 Fe N Ni O4 | InChI=1S/CN.2CHO.Fe.Ni.O2 /c3*1-2;;;1-2/h;2*1H;;;; CIUCFLVMTAQNSJ-UHFFFAOYSA-N |
C(=O)[Fe](C=O)(C#N)O(=O)[Ni]; [Ni][O](=O )[Fe](C=O)(C=O)C#N; [Ni][O](=O)[Fe@](C=O )(C=O)C#N |
NI-FE ACTIVE CENTER A-FORM |
| 30584 | NFD | 1 | C21 H26 F N7 O14 P2 | InChI=1S/C21H26FN7O14P2/c 22-21-26-16(23)11-18(27-2 1)29(7-25-11)20-15(33)13( 31)10(42-20)6-40-45(37,38 )43-44(35,36)39-5-9-12(30 )14(32)19(41-9)28-3-1-2-8 (4-28)17(24)34/h1-4,7,9-1 0,12-15,19-20,30-33H,5-6H 2,(H5-,23,24,26,27,34,35, 36,37,38)/t9-,10-,12-,13- ,14-,15-,19-,20-/m1/s1; JDJGJQAJEVFTBI-NAJQWHGHSA-N |
c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP (=O)(O)OCC3C(C(C(O3)n4cnc5c4nc(nc5N)F)O) O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C@@H] ([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](= O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cn c5c4nc(nc5N)F)O)O)O)O)C(=O)N; NC(=O)c1cc c[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]( O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c (N)nc(F)nc45)[CH](O)[CH]2O; NC(=O)c1ccc[ n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P] (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n 4cnc5c(N)nc(F)nc45)[C@@H](O)[C@H]2O |
Nicotinamide 2-fluoro-adenine dinucleotide; 2-fluoro-NAD+ |
| 30585 | NFE | 2 | C2 H Fe Ni O3 S2 | InChI=1S/2CO.Fe.Ni.H2OS.S /c2*1-2;;;1-2;/h;;;;1-2H; /q;;+1;;;/p-1; BWHVFYQLNHWUMU-UHFFFAOYSA-M |
C(=O)=[Fe](=C=O)(SO)S[Ni]; OS[Fe](S[Ni]) (=C=O)=C=O; OS[Fe@](S[Ni])(=C=O)=C=O |
NI-FE ACTIVE CENTER |
| 30586 | NFF ZINC000095921260 |
6 | C21 H24 N2 O5 S | InChI=1S/C21H24N2O5S/c1-4 -28-15-10-9-12-7-5-6-8-13 (12)16(15)18(25)22-14(11- 24)19-23-17(20(26)27)21(2 ,3)29-19/h5-11,14,17,19,2 3H,4H2,1-3H3,(H,22,25)(H, 26,27)/t14-,17+,19-/m1/s1; XDLYHUOUOKHAMD-DKSSEZFCSA-N |
CCOc1ccc2ccccc2c1C(=O)NC(C=O)C3NC(C(S3)( C)C)C(=O)O; O=C(NC(C=O)C1SC(C(N1)C(=O)O) (C)C)c3c2ccccc2ccc3OCC; CCOc1ccc2ccccc2c 1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C )C(=O)O; CCOc1ccc2ccccc2c1C(=O)N[CH](C=O )[CH]3N[CH](C(O)=O)C(C)(C)S3; CCOc1ccc2c cccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@@H](C( O)=O)C(C)(C)S3 |
(2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid; Nafcillin, bound form |
| 30587 | NFG CHEMBL1234696 DB02658 ZINC000004475142 |
9 | C12 H13 F N2 O9 | InChI=1S/C12H13FN2O9/c13- 9-11(18)10(17)8(4-16)24-1 2(9)23-7-2-1-5(14(19)20)3 -6(7)15(21)22/h1-3,8-12,1 6-18H,4H2/t8-,9-,10-,11-, 12-/m1/s1; UFSBFVZQJZMIOU-LZQZFOIKSA-N |
[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c ([N+]([O-])=O)c2; c1cc(c(cc1[N+](=O)[O-] )[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F; OC [CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([ O-])=O)[CH](F)[CH](O)[CH]1O; OC[C@H]1O[C @@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O )[C@H](F)[C@@H](O)[C@@H]1O; c1cc(c(cc1[N +](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C @H]([C@@H]([C@H](O2)CO)O)O)F |
2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-D-glucoside; 2,4-dinitrophenyl 2-deoxy-2-fluoro-glucoside |
| 30588 | NFH ZINC000012080867 |
2 | C15 H29 N3 O4 | InChI=1S/C15H29N3O4/c1-10 (2)7-11(8-18(22)9-19)13(2 0)17-12(14(21)16-6)15(3,4 )5/h9-12,22H,7-8H2,1-6H3, (H,16,21)(H,17,20)/t11-,1 2-/m1/s1; YRLGSCVOSAUJJE-VXGBXAGGSA-N |
CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC )C(C)(C)C; CC(C)CC(CN(C=O)O)C(=O)NC(C(=O )NC)C(C)(C)C; O=CN(O)CC(C(=O)NC(C(=O)NC) C(C)(C)C)CC(C)C; CNC(=O)[C@@H](NC(=O)[C@ H](CC(C)C)CN(O)C=O)C(C)(C)C; CNC(=O)[CH] (NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C |
N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide |
| 30589 | NFI | 1 | C20 H17 N O5 | InChI=1S/C20H17NO5/c1-12- 15-11-14(7-9-17(15)26-19( 12)20(24)25)21-18(23)10-8 -16(22)13-5-3-2-4-6-13/h2 -7,9,11H,8,10H2,1H3,(H,21 ,23)(H,24,25); ZXQOBDSXROLOQK-UHFFFAOYSA-N |
Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccc cc3; Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)c c12)C(O)=O |
3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid |
| 30590 | NFJ CHEMBL4586167 |
2 | C31 H44 N2 O8 S | InChI=1S/C31H44N2O8S/c1-4 -22(5-2)18-33(42(37,38)25 -13-11-24(12-14-25)21(3)3 4)19-28(35)27(17-23-9-7-6 -8-10-23)32-31(36)41-29-2 0-40-30-26(29)15-16-39-30 /h6-14,21-22,26-30,34-35H ,4-5,15-20H2,1-3H3,(H,32, 36)/t21-,26+,27+,28-,29+, 30-/m1/s1; QJTBJHOQMPDSSA-NORYVHHUSA-N |
CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(= O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O) c4ccc(cc4)[C@@H](C)O; C(C)C(CN(CC(C(Cc1c cccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4) C(C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH]( Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[ S](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN( C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C @@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@ @H](C)O; CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O) OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate |
| 30591 | NFK CHEMBL3577708 ZINC000000901361 |
12 | C11 H12 N2 O4 | InChI=1S/C11H12N2O4/c12-8 (11(16)17)5-10(15)7-3-1-2 -4-9(7)13-6-14/h1-4,6,8H, 5,12H2,(H,13,14)(H,16,17) /t8-/m0/s1; BYHJHXPTQMMKCA-QMMMGPOBSA-N |
c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O; c1ccc( c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O; O=C(O)C (CC(c1ccccc1NC=O)=O)N; N[CH](CC(=O)c1ccc cc1NC=O)C(O)=O; N[C@@H](CC(=O)c1ccccc1NC =O)C(O)=O |
N'-Formylkynurenine; (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid |
| 30592 | NFL CHEMBL63323 DB04552 ZINC000000125031 |
9 | C13 H9 F3 N2 O2 | InChI=1S/C13H9F3N2O2/c14- 13(15,16)8-3-1-4-9(7-8)18 -11-10(12(19)20)5-2-6-17- 11/h1-7H,(H,17,18)(H,19,2 0); JZFPYUNJRRFVQU-UHFFFAOYSA-N |
c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F; O C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F; FC(F)( F)c1cc(ccc1)Nc2ncccc2C(=O)O |
2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID; 2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID |
| 30593 | NFM ZINC000032206129 |
2 | C7 H10 N4 O | InChI=1S/C7H10N4O/c1-5-10 -3-6(2-9-4-12)7(8)11-5/h3 -4H,2H2,1H3,(H,9,12)(H2,8 ,10,11); PVWNFAGYFUUDRC-UHFFFAOYSA-N |
O=CNCc1cnc(nc1N)C; Cc1ncc(c(n1)N)CNC=O; Cc1ncc(CNC=O)c(N)n1 |
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide |
| 30594 | NFN | 2 | C21 H21 N2 O5 S | InChI=1S/C21H22N2O5S/c1-4 -28-13-10-9-11-7-5-6-8-12 (11)14(13)17(24)22-15-18( 25)23-16(20(26)27)21(2,3) 29-19(15)23/h5-10,15-16,1 9H,4H2,1-3H3,(H,22,24)(H, 26,27)/p-1/t15-,16+,19-/m 1/s1; GPXLMGHLHQJAGZ-JTDSTZFVSA-M |
CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3 =O)[C@H](C(S4)(C)C)C(=O)[O-]; CCOc1ccc2c cccc2c1C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O )[O-]; O=C([O-])C3N4C(=O)C(NC(=O)c2c1ccc cc1ccc2OCC)C4SC3(C)C; CCOc1ccc2ccccc2c1C (=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C([O- ])=O; CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H] 4SC(C)(C)[C@@H](N4C3=O)C([O-])=O |
6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE |
| 30595 | NFO | 2 | C3 H2 Fe N Ni O3 | InChI=1S/CN.2CHO.Fe.Ni.O/ c3*1-2;;;/h;2*1H;;;; FQZPNHHVQDQMNS-UHFFFAOYSA-N |
[Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)( C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni] |
NI-FE OXIDIZED ACTIVE CENTER |
| 30596 | NFP DB02869 |
0 | C17 H19 N O2 S | InChI=1S/C17H19NO2S/c18-1 6(12-11-15-7-3-1-4-8-15)1 3-14-21(19,20)17-9-5-2-6- 10-17/h1-10,13-14,16H,11- 12,18H2/t16-/m0/s1; ZPXIQFOUPUVVPU-INIZCTEOSA-N |
N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2; c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2cccc c2)N; N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O )c2ccccc2; O=S(=O)(/C=C/C(N)CCc1ccccc1)c 2ccccc2; c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccc cc2)N |
(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine |
| 30597 | NFQ | 10 | C5 H8 N2 O4 | InChI=1S/C5H8N2O4/c6-2-7- 3(5(10)11)1-4(8)9/h2-3H,1 H2,(H2,6,7)(H,8,9)(H,10,1 1)/t3-/m0/s1; XTPIFIMCFHNJOH-VKHMYHEASA-N |
[H]/N=C/N[C@@H](CC(=O)O)C(=O)O; OC(=O)C[ CH](NC=N)C(O)=O; OC(=O)C[C@H](NC=N)C(O)= O; O=C(O)C(NC=[N@H])CC(=O)O; C(C(C(=O)O) NC=N)C(=O)O |
N-[(E)-iminomethyl]-L-aspartic acid; N-formimino-L-Aspartate |
| 30598 | NFR | 1 | C3 H2 Fe N Ni O2 | InChI=1S/CN.2CHO.Fe.Ni/c3 *1-2;;/h;2*1H;;; WWDMWDTTWHCODG-UHFFFAOYSA-N |
N#C[Fe]([Ni])(C=O)C=O; C(=O)[Fe](C=O)(C# N)[Ni]; [Ni]|[Fe](C=O)(C=O)C#N |
NI-FE REDUCED ACTIVE CENTER |
| 30599 | NFS | 9 | Fe4 Ni S5 | InChI=1S/4Fe.Ni.5S; DHBVHUGSWMHFLY-UHFFFAOYSA-N |
S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni ]51; [Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1; S1[Fe] [S]2[Fe]3[S@@]4[Ni]1[S@]5[Fe]4[S]3[Fe]52 |
FE(4)-NI(1)-S(5) CLUSTER |
| 30600 | NFT DB08270 ZINC000016051593 |
1 | C22 H29 F3 N4 O3 S | InChI=1S/C22H29F3N4O3S/c1 -14(2)13-19(21(30)28-12-1 1-26)29-20(22(23,24)25)17 -5-3-15(4-6-17)16-7-9-18( 10-8-16)33(27,31)32/h3-10 ,14,19-20,29H,11-13,26H2, 1-2H3,(H,28,30)(H2,27,31, 32)/t19-,20-/m0/s1; QPXXBNKMAHUXBB-PMACEKPBSA-N |
CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S] (N)(=O)=O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@H ](N[C@@H](c1ccc(cc1)c2ccc(cc2)[S](N)(=O) =O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@@H](C(=O )NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)( =O)N)C(F)(F)F; O=S(=O)(N)c2ccc(c1ccc(cc1 )C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2; CC( C)CC(C(=O)NCCN)NC(c1ccc(cc1)c2ccc(cc2)S( =O)(=O)N)C(F)(F)F |
N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE |