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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 30801 | NLG CHEMBL1234751 DB04075 ZINC000001532704 |
60 | C7 H11 N O5 | InChI=1S/C7H11NO5/c1-4(9) 8-5(7(12)13)2-3-6(10)11/h 5H,2-3H2,1H3,(H,8,9)(H,10 ,11)(H,12,13)/t5-/m0/s1; RFMMMVDNIPUKGG-YFKPBYRVSA-N |
O=C(NC(C(=O)O)CCC(=O)O)C; CC(=O)N[C@@H]( CCC(=O)O)C(=O)O; CC(=O)N[C@@H](CCC(O)=O) C(O)=O; CC(=O)N[CH](CCC(O)=O)C(O)=O; CC( =O)NC(CCC(=O)O)C(=O)O |
N-ACETYL-L-GLUTAMATE |
| 30802 | NLH ZINC000058649948 |
0 | C13 H27 N O4 | InChI=1S/C13H27NO4/c1-3-5 -7-10(12(15)16)9-13(17,18 )11(14)8-6-4-2/h10-11,17- 18H,3-9,14H2,1-2H3,(H,15, 16)/t10-,11+/m1/s1; XSBUNABCRFGTDE-MNOVXSKESA-N |
O=C(O)C(CCCC)CC(O)(O)C(N)CCCC; CCCC[CH]( N)C(O)(O)C[CH](CCCC)C(O)=O; CCCC[C@H](CC ([C@H](CCCC)N)(O)O)C(=O)O; CCCCC(CC(C(CC CC)N)(O)O)C(=O)O; CCCC[C@H](N)C(O)(O)C[C @@H](CCCC)C(O)=O |
(2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid |
| 30803 | NLI CHEMBL1083499 ZINC000049109415 |
1 | C18 H23 F2 N7 O3 | InChI=1S/C18H23F2N7O3/c1- 12-9-24-15(25-11-18(19,20 )13-5-3-2-4-6-13)16(29)27 (12)10-14(28)23-7-8-30-26 -17(21)22/h2-6,9H,7-8,10- 11H2,1H3,(H,23,28)(H,24,2 5)(H4,21,22,26); IDCKXHIGLKQWMM-UHFFFAOYSA-N |
O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC( F)(F)c2ccccc2)C; CC1=CN=C(NCC(F)(F)c2ccc cc2)C(=O)N1CC(=O)NCCONC(N)=N; CC1=CN=C(C (=O)N1CC(=O)NCCONC(=N)N)NCC(c2ccccc2)(F) F; [H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O )NCC(c2ccccc2)(F)F)C |
N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide; RWJ-671818 |
| 30804 | NLJ | 1 | C12 H12 N2 O6 S2 | InChI=1S/C12H12N2O6S2/c1- 20-12-11(3-2-8-13-12)14-2 1(15,16)9-4-6-10(7-5-9)22 (17,18)19/h2-8,14H,1H3,(H ,17,18,19); YXYLOWSJBFRQDN-UHFFFAOYSA-N |
COc1ncccc1N[S](=O)(=O)c2ccc(cc2)[S](O)(= O)=O; c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2 )OC)(=O)=O; COc1c(cccn1)NS(=O)(=O)c2ccc( cc2)S(=O)(=O)O |
4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid |
| 30805 | NLK ZINC000058651013 |
0 | C13 H25 N O3 | InChI=1S/C13H25NO3/c1-3-5 -7-10(13(16)17)9-12(15)11 (14)8-6-4-2/h10-11H,3-9,1 4H2,1-2H3,(H,16,17)/t10-, 11+/m1/s1; DFDJIMIRUIFCBE-MNOVXSKESA-N |
O=C(CC(C(=O)O)CCCC)C(N)CCCC; CCCCC(CC(=O )C(CCCC)N)C(=O)O; CCCC[CH](N)C(=O)C[CH]( CCCC)C(O)=O; CCCC[C@H](CC(=O)[C@H](CCCC) N)C(=O)O; CCCC[C@H](N)C(=O)C[C@@H](CCCC) C(O)=O |
(2R,5S)-5-amino-2-butyl-4-oxononanoic acid |
| 30806 | NLL CHEMBL5281871 |
1 | C16 H16 N4 O | InChI=1S/C16H16N4O/c17-8- 11-1-3-12(4-2-11)10-20-6- 5-13-7-14(15(18)21)9-19-1 6(13)20/h1-7,9H,8,10,17H2 ,(H2,18,21); MIOHMKDSCXKJEP-UHFFFAOYSA-N |
c1cc(ccc1CN)Cn2ccc3c2ncc(c3)C(=O)N; NCc1 ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1 |
1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
| 30807 | NLM | 1 | C11 H9 Cl N2 O5 S2 | InChI=1S/C11H9ClN2O5S2/c1 2-10-2-1-7-13-11(10)14-20 (15,16)8-3-5-9(6-4-8)21(1 7,18)19/h1-7H,(H,13,14)(H ,17,18,19); HCEVZVCXFTUKMF-UHFFFAOYSA-N |
O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2nccc c2Cl; c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(= O)(=O)O)Cl; N(S(c1ccc(cc1)S(=O)(=O)O)(=O )=O)c2ncccc2Cl |
4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
| 30808 | NLN ZINC000003606176 |
0 | C6 H14 N2 O | InChI=1S/C6H14N2O/c1-2-3- 4-5(7)6(8)9/h5H,2-4,7H2,1 H3,(H2,8,9)/t5-/m0/s1; YTIHIRCOUAPRCS-YFKPBYRVSA-N |
CCCC[CH](N)C(N)=O; CCCCC(C(=O)N)N; CCCC[ C@@H](C(=O)N)N; CCCC[C@H](N)C(N)=O; O=C( N)C(N)CCCC |
NORLEUCINE AMIDE; 2-AMINO-HEXANOIC ACID AMIDE |
| 30809 | NLO ZINC000055157322 |
0 | C7 H15 N O2 | InChI=1S/C7H15NO2/c1-3-4- 5-6(8)7(9)10-2/h6H,3-5,8H 2,1-2H3/t6-/m0/s1; TVZNFYXAPXOARC-LURJTMIESA-N |
CCCC[C@@H](C(=O)OC)N; CCCCC(C(=O)OC)N; O =C(OC)C(N)CCCC; CCCC[C@H](N)C(=O)OC; CCC C[CH](N)C(=O)OC |
O-METHYL-L-NORLEUCINE |
| 30810 | NLP DB02088 ZINC000002047313 |
9 | C5 H14 N O3 P | InChI=1S/C5H14NO3P/c1-2-3 -4-5(6)10(7,8)9/h5H,2-4,6 H2,1H3,(H2,7,8,9)/t5-/m1/ s1; NXTPDFMZKSLVRK-RXMQYKEDSA-N |
CCCC[C@H](N)P(=O)(O)O; CCCC[C@H](N)[P](O )(O)=O; CCCCC(N)P(=O)(O)O; CCCC[CH](N)[P ](O)(O)=O; O=P(O)(O)C(N)CCCC |
(1-AMINO-PENTYL)-PHOSPHONIC ACID; NORLEUCINE PHOSPHONATE |
| 30811 | NLQ CHEMBL1234757 DB04167 ZINC000002019886 |
6 | C7 H12 N2 O4 | InChI=1S/C7H12N2O4/c1-4(1 0)9-5(7(12)13)2-3-6(8)11/ h5H,2-3H2,1H3,(H2,8,11)(H ,9,10)(H,12,13)/t5-/m0/s1; KSMRODHGGIIXDV-YFKPBYRVSA-N |
CC(=O)NC(CCC(=O)N)C(=O)O; CC(=O)N[C@@H]( CCC(=O)N)C(=O)O; CC(=O)N[CH](CCC(N)=O)C( O)=O; CC(=O)N[C@@H](CCC(N)=O)C(O)=O; O=C (NC(C(=O)O)CCC(=O)N)C |
N~2~-ACETYL-L-GLUTAMINE; N-ACETYL-L-GLUTAMINE |
| 30812 | NLS | 1 | C11 H9 F N2 O5 S2 | InChI=1S/C11H9FN2O5S2/c12 -10-2-1-3-11(13-10)14-20( 15,16)8-4-6-9(7-5-8)21(17 ,18)19/h1-7H,(H,13,14)(H, 17,18,19); FAPGWCMQIRKSPW-UHFFFAOYSA-N |
c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(= O)O; O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc 2cccc(F)n2; N(c1nc(F)ccc1)S(c2ccc(S(=O)( =O)O)cc2)(=O)=O |
4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
| 30813 | NLT DB08275 |
8 | C21 H33 N O4 | InChI=1S/C21H33NO4/c1-2-3 -4-5-6-7-8-9-10-11-20(24) 22-19(21(25)26)16-17-12-1 4-18(23)15-13-17/h12-15,1 9,23H,2-11,16H2,1H3,(H,22 ,24)(H,25,26)/t19-/m0/s1; SVQAZCRYIXURJT-IBGZPJMESA-N |
CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O )=O; CCCCCCCCCCCC(=O)N[CH](Cc1ccc(O)cc1) C(O)=O; O=C(O)C(NC(=O)CCCCCCCCCCC)Cc1ccc (O)cc1; CCCCCCCCCCCC(=O)NC(Cc1ccc(cc1)O) C(=O)O; CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(c c1)O)C(=O)O |
N-DODECANOYL-L-TYROSINE; (S)-N-(DODECANOYL)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPANOIC ACID; N-LAURYL-L-TYROSINE; N-LAUROYL-L-TYROSINE |
| 30814 | NLV | 1 | C11 H9 Cl N2 O5 S2 | InChI=1S/C11H9ClN2O5S2/c1 2-10-2-1-3-11(13-10)14-20 (15,16)8-4-6-9(7-5-8)21(1 7,18)19/h1-7H,(H,13,14)(H ,17,18,19); AOXDXPJHIZMZOS-UHFFFAOYSA-N |
N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(= O)=O; c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2) S(=O)(=O)O; O[S](=O)(=O)c1ccc(cc1)[S](=O )(=O)Nc2cccc(Cl)n2 |
4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid |
| 30815 | NLW CHEMBL598548 ZINC000003581377 |
0 | C6 H14 N2 O | InChI=1S/C6H14N2O/c1-4(2) 3-5(7)6(8)9/h4-5H,3,7H2,1 -2H3,(H2,8,9)/t5-/m0/s1; FORGMRSGVSYZQR-YFKPBYRVSA-N |
CC(C)C[C@@H](C(=O)N)N; CC(CC(C(N)=O)N)C; CC(C)CC(C(=O)N)N; CC(C)C[CH](N)C(N)=O; CC(C)C[C@H](N)C(N)=O |
L-leucinamide |
| 30816 | NLX DB04509 ZINC000247655549 |
12 | C20 H24 N O4 | InChI=1S/C20H23NO4/c1-3-9 -21(2)10-8-19-16-12-4-5-1 3(22)17(16)25-18(19)14(23 )6-7-20(19,24)15(21)11-12 /h3-5,15,18,24H,1,6-11H2, 2H3/p+1/t15-,18+,19+,20-, 21-/m1/s1; PCSQOABIHJXZMR-YNUHATHGSA-O |
C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C C[C@]3([C@H]1C5)O)O)CC=C; C[N@+]1(CC[C@] 23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4= O)c35)CC=C; O=C5C3Oc1c2c(ccc1O)CC4C(O)(C 23CC[N+]4(C)C/C=C)CC5; C[N+]1(CCC23c4c5c cc(c4OC2C(=O)CCC3(C1C5)O)O)CC=C; C[N+]1( CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2(O)CCC4 =O)c35)CC=C |
(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM; N-METHYLNALOXONIUM |
| 30817 | NLY | 0 | C6 H14 N2 O2 | InChI=1S/C6H14N2O2/c7-3-1 -2-4-8-5-6(9)10/h8H,1-5,7 H2,(H,9,10); OGAULEBSQQMUKP-UHFFFAOYSA-N |
C(CCNCC(=O)O)CN; O=C(O)CNCCCCN; NCCCCNCC (O)=O |
N-(4-aminobutyl)glycine |
| 30818 | NLZ ZINC000001690428 |
2 | C7 H7 N O3 | InChI=1S/C7H7NO3/c8-7(11) 5-2-1-4(9)3-6(5)10/h1-3,9 -10H,(H2,8,11); IIUJCQYKTGNRHH-UHFFFAOYSA-N |
NC(=O)c1ccc(O)cc1O; c1cc(c(cc1O)O)C(=O)N | 2,4-bis(oxidanyl)benzamide |
| 30819 | NM0 | 3 | C15 H12 Cl N3 O | InChI=1S/C15H12ClN3O/c16- 12-5-3-4-11(8-12)9-15(20) 18-14-10-17-13-6-1-2-7-19 (13)14/h1-8,10H,9H2,(H,18 ,20); GRCPKASYWFJZEJ-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2cnc3ccccn23)c1; Clc1cc cc(c1)CC(=O)Nc1cnc2ccccn12; c1ccn2c(c1)n cc2NC(=O)Cc3cccc(c3)Cl |
2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide |
| 30820 | NM1 CHEMBL357057 DB03076 ZINC000003833854 |
2 | C34 H37 N3 O7 S | InChI=1S/C34H37N3O7S/c1-3 5-34(40)27-15-11-14-26(20 -27)22-37-31(24-44-29-18- 9-4-10-19-29)33(39)32(38) 30(23-43-28-16-7-3-8-17-2 8)36(45(37,41)42)21-25-12 -5-2-6-13-25/h2-20,30-33, 38-39H,21-24H2,1H3,(H,35, 40)/t30-,31-,32+,33+/m1/s 1; CGBDAHCDSVOMCF-FYZVQMPESA-N |
CNC(=O)c1cccc(c1)CN2C(C(C(C(N(S2(=O)=O)C c3ccccc3)COc4ccccc4)O)O)COc5ccccc5; CNC( =O)c1cccc(CN2[CH](COc3ccccc3)[CH](O)[CH] (O)[CH](COc4ccccc4)N(Cc5ccccc5)[S]2(=O)= O)c1; CNC(=O)c1cccc(CN2[C@H](COc3ccccc3) [C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5 ccccc5)[S]2(=O)=O)c1; CNC(=O)c1cccc(c1)C [N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2( =O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc 5; O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC )ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5 |
3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE; AHA047 |
| 30821 | NM2 ZINC000000395560 |
14 | C7 H16 N O2 | InChI=1S/C7H15NO2/c1-8(2, 3)6-4-5-7(9)10/h4-6H2,1-3 H3/p+1; JHPNVNIEXXLNTR-UHFFFAOYSA-O |
C[N+](C)(C)CCCC(O)=O; C[N+](C)(C)CCCC(=O )O; O=C(O)CCC[N+](C)(C)C |
3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM |
| 30822 | NM3 ZINC000068268119 |
1 | C8 H18 N O2 | InChI=1S/C8H17NO2/c1-4-9( 2,3)7-5-6-8(10)11/h4-7H2, 1-3H3/p+1; ISMYCKWHOZKHNJ-UHFFFAOYSA-O |
O=C(O)CCC[N+](C)(C)CC; CC[N+](C)(C)CCCC( O)=O; CC[N+](C)(C)CCCC(=O)O |
ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium |
| 30823 | NM4 CHEMBL4579951 |
2 | C25 H26 Cl N5 O2 | InChI=1S/C25H26ClN5O2/c1- 32-23-13-24(33-2)21(26)12 -20(23)22-16-31-10-6-19(1 1-25(31)29-22)30-9-5-18(1 5-30)28-14-17-3-7-27-8-4- 17/h3-4,6-8,10-13,16,18,2 8H,5,9,14-15H2,1-2H3/t18- /m0/s1; YDTCRGKEOJGNHD-SFHVURJKSA-N |
COc1cc(OC)c(cc1Cl)c2cn3ccc(cc3n2)N4CC[C@ @H](C4)NCc5ccncc5; c1(OC)cc(OC)c(cc1Cl)c 5nc4cc(N3CCC(NCc2ccncc2)C3)ccn4c5; COc1c c(c(cc1c2cn3ccc(cc3n2)N4CCC(C4)NCc5ccncc 5)Cl)OC; COc1cc(OC)c(cc1Cl)c2cn3ccc(cc3n 2)N4CC[CH](C4)NCc5ccncc5; COc1cc(c(cc1c2 cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl )OC |
(3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine |
| 30824 | NM6 ZINC000033922542 |
4 | C11 H20 N2 O7 | InChI=1S/C11H20N2O7/c1-4( 10(12)17)19-9-7(13-5(2)15 )11(18)20-6(3-14)8(9)16/h 4,6-9,11,14,16,18H,3H2,1- 2H3,(H2,12,17)(H,13,15)/t 4-,6-,7-,8-,9-,11-/m1/s1; MLHXTMGNPGMLSD-YVNCZSHWSA-N |
C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1 NC(C)=O)C(N)=O; C[C@H](C(=O)N)O[C@@H]1[C @H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C; O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C; C [C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H]( O)[C@@H]1NC(C)=O)C(N)=O; CC(C(=O)N)OC1C( C(OC(C1O)CO)O)NC(=O)C |
2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose; (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide; N-acetyl-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-beta-D-glucosamine; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucose; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucose; 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucose |
| 30825 | NM7 CHEMBL257167 DB17058 ZINC000003960707 |
4 | C12 H10 F N3 O2 S | InChI=1S/C12H10FN3O2S/c13 -7-3-1-6(2-4-7)9-5-8(10(1 4)17)11(19-9)16-12(15)18/ h1-5H,(H2,14,17)(H3,15,16 ,18); SAYGKHKXGCPTLX-UHFFFAOYSA-N |
O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N; c1cc( ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F; NC(=O)Nc 1sc(cc1C(N)=O)c2ccc(F)cc2 |
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide |
| 30826 | NM8 ZINC000098209234 |
1 | C33 H29 F3 N4 O4 S | InChI=1S/C33H29F3N4O4S/c1 -2-39-10-12-40(13-11-39)1 9-20-14-23(33(34,35)36)17 -24(15-20)37-30(41)27-5-3 -4-21-16-22(6-8-26(21)27) 28-9-7-25(44-28)18-29-31( 42)38-32(43)45-29/h3-9,14 -18H,2,10-13,19H2,1H3,(H, 37,41)(H,38,42,43)/b29-18 -; QFKROKXEJOKXGQ-MIXAMLLLSA-N |
CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3c cc(c4)c5ccc(o5)C=C6C(=O)NC(=O)S6)C(F)(F) F; CCN1CCN(CC1)Cc2cc(NC(=O)c3cccc4cc(ccc 34)c5oc(cc5)C=C6SC(=O)NC6=O)cc(c2)C(F)(F )F; O=C1C(\SC(=O)N1)=C\c6oc(c5cc4cccc(C( =O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4 cc5)cc6; CCN1CCN(CC1)Cc2cc(NC(=O)c3cccc4 cc(ccc34)c5oc(cc5)/C=C/6SC(=O)NC/6=O)cc( c2)C(F)(F)F; CCN1CCN(CC1)Cc2cc(cc(c2)NC( =O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O) NC(=O)S6)C(F)(F)F |
6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide; (Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide |
| 30827 | NM9 ZINC000060292646 |
3 | C12 H22 N2 O7 | InChI=1S/C12H22N2O7/c1-5( 11(13)18)20-10-8(14-6(2)1 6)12(19-3)21-7(4-15)9(10) 17/h5,7-10,12,15,17H,4H2, 1-3H3,(H2,13,18)(H,14,16) /t5-,7-,8-,9-,10-,12-/m1/ s1; RDTUJRBFQHDOEJ-PKKPQKKZSA-N |
C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@ H]([C@H]1O)CO)OC)NC(=O)C; CO[CH]1O[CH](C O)[CH](O)[CH](O[CH](C)C(N)=O)[CH]1NC(C)= O; CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C @H](C)C(N)=O)[C@H]1NC(C)=O; CC(C(=O)N)OC 1C(C(OC(C1O)CO)OC)NC(=O)C; O=C(N)C(OC1C( O)C(OC(OC)C1NC(=O)C)CO)C |
methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside; (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide; methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucoside; methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucoside; methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucoside |
| 30828 | NMA DB04241 ZINC000002046989 |
1 | C12 H19 N2 O7 P | InChI=1S/C12H19N2O7P/c1-7 -10(15)9(5-14-12(2,3)11(1 6)17)8(4-13-7)6-21-22(18, 19)20/h4,14-15H,5-6H2,1-3 H3,(H,16,17)(H2,18,19,20); NHGDGJKONAZETF-UHFFFAOYSA-N |
Cc1ncc(CO[P](O)(O)=O)c(CNC(C)(C)C(O)=O)c 1O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O) (C)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C) C(=O)O)O |
N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE; N-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE |
| 30829 | NMB CHEMBL130998 ZINC000003833860 |
2 | C32 H34 N2 O6 S | InChI=1S/C32H34N2O6S/c35- 31-29(23-39-27-17-9-3-10- 18-27)33(21-25-13-5-1-6-1 4-25)41(37,38)34(22-26-15 -7-2-8-16-26)30(32(31)36) 24-40-28-19-11-4-12-20-28 /h1-20,29-32,35-36H,21-24 H2/t29-,30-,31+,32+/m1/s1; CAGHBXQSDLNCES-ZRTHHSRSSA-N |
O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccccc1)COc3cc ccc3)COc4ccccc4)Cc5ccccc5; c1ccc(cc1)C[N @@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O )=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5; O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc 3ccccc3)[S](=O)(=O)N(Cc4ccccc4)[C@@H]1CO c5ccccc5; O[CH]1[CH](O)[CH](COc2ccccc2)N (Cc3ccccc3)[S](=O)(=O)N(Cc4ccccc4)[CH]1C Oc5ccccc5; c1ccc(cc1)CN2C(C(C(C(N(S2(=O) =O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5 |
2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL |
| 30830 | NMC ZINC000005975845 |
0 | C6 H11 N O2 | InChI=1S/C6H11NO2/c8-6(9) 4-7-3-5-1-2-5/h5,7H,1-4H2 ,(H,8,9); JOWMUWBEMDOCKB-UHFFFAOYSA-N |
C1CC1CNCC(=O)O; O=C(O)CNCC1CC1; OC(=O)CN CC1CC1 |
N-CYCLOPROPYLMETHYL GLYCINE |
| 30831 | NMD CHEMBL303934 DB03331 ZINC000026189382 |
7 | C30 H30 N6 O6 | InChI=1S/C30H30N6O6/c1-40 -20-10-19(11-21(12-20)41- 2)29(39)35-24-26(38)23(14 -37)42-30(24)36-16-34-25- 27(32-15-33-28(25)36)31-1 3-18-8-5-7-17-6-3-4-9-22( 17)18/h3-12,15-16,23-24,2 6,30,37-38H,13-14H2,1-2H3 ,(H,35,39)(H,31,32,33)/t2 3-,24-,26-,30-/m1/s1; OARVXDFNTLYMCJ-JVUUKAHWSA-N |
COc1cc(OC)cc(c1)C(=O)N[CH]2[CH](O)[CH](C O)O[CH]2n3cnc4c(NCc5cccc6ccccc56)ncnc34; COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@ H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6) CO)O; COc1cc(OC)cc(c1)C(=O)N[C@@H]2[C@H] (O)[C@@H](CO)O[C@H]2n3cnc4c(NCc5cccc6ccc cc56)ncnc34; COc1cc(cc(c1)OC)C(=O)NC2C(C (OC2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O; O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c (ncnc23)NCc5c4ccccc4ccc5)CO |
N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE |
| 30832 | NME CHEMBL43280 DB01828 |
2 | C H5 N | InChI=1S/CH5N/c1-2/h2H2,1 H3; BAVYZALUXZFZLV-UHFFFAOYSA-N |
CN; NC | METHYLAMINE |
| 30833 | NMF ZINC000095921270 |
2 | C10 H15 F N2 O3 | InChI=1S/C10H15FN2O3/c1-6 -8(3-7(4-11)5-14)13(2)10( 16)12-9(6)15/h7,14H,3-5H2 ,1-2H3,(H,12,15,16)/t7-/m 0/s1; OHXHFKXQCMBBKV-ZETCQYMHSA-N |
CC1=C(N(C(=O)NC1=O)C)CC(CO)CF; CC1=C(N(C (=O)NC1=O)C)C[C@H](CO)CF; O=C1C(=C(N(C(= O)N1)C)CC(CF)CO)C; CN1C(=O)NC(=O)C(=C1C[ C@H](CO)CF)C; CN1C(=O)NC(=O)C(=C1C[CH](C O)CF)C |
6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione |
| 30834 | NMG CHEMBL281593 DB02751 ZINC000000895314 |
37 | C3 H7 N3 O2 | InChI=1S/C3H7N3O2/c4-3(5) 6-1-2(7)8/h1H2,(H,7,8)(H4 ,4,5,6); BPMFZUMJYQTVII-UHFFFAOYSA-N |
O=C(O)CNC(=[N@H])N; [H]/N=C(/N)\NCC(=O)O ; NC(=N)NCC(O)=O; [H]N=C(N)NCC(=O)O |
GUANIDINO ACETATE; N-[AMINO(IMINO)METHYL]GLYCINE |
| 30835 | NMH | 8 | C8 H17 N O | InChI=1S/C8H17NO/c1-3-4-5 -6-8(2)9-7-10/h7-8H,3-6H2 ,1-2H3,(H,9,10)/t8-/m1/s1; GFVRKPKAQHTAQK-MRVPVSSYSA-N |
CCCCC[CH](C)NC=O; CCCCC[C@@H](C)NC=O; O= CNC(CCCCC)C; CCCCCC(C)NC=O |
(R)-N-(1-METHYL-HEXYL)-FORMAMIDE |
| 30836 | NMI ZINC000000873830 |
1 | C12 H13 N O2 | InChI=1S/C12H13NO2/c1-13- 8-9(6-7-12(14)15)10-4-2-3 -5-11(10)13/h2-5,8H,6-7H2 ,1H3,(H,14,15); VVKVBQDZJLGAFG-UHFFFAOYSA-N |
O=C(O)CCc2c1ccccc1n(c2)C; Cn1cc(c2c1cccc 2)CCC(=O)O; Cn1cc(CCC(O)=O)c2ccccc12 |
3-(1-methyl-1H-indol-3-yl)propanoic acid |
| 30837 | NMJ CHEMBL5198842 ZINC000002570716 |
23 | C5 H3 Cl N2 O2 | InChI=1S/C5H3ClN2O2/c6-4- 2-7-1-3(8-4)5(9)10/h1-2H, (H,9,10); KGGYMBKTQCLOTE-UHFFFAOYSA-N |
c1c(C(O)=O)nc(cn1)Cl; c1c(nc(cn1)Cl)C(=O )O; OC(=O)c1cncc(Cl)n1 |
6-chloropyrazine-2-carboxylic acid |
| 30838 | NMK | 0 | C7 H17 N2 O2 | InChI=1S/C7H16N2O2/c1-9-6 (7(10)11)4-2-3-5-8/h6,9H, 2-5,8H2,1H3,(H,10,11)/p+1 /t6-/m0/s1; OLYPWXRMOFUVGH-LURJTMIESA-O |
CN[C@@H](CCCC[NH3+])C(O)=O; CN[C@@H](CCC C[NH3+])C(=O)O; CNC(CCCC[NH3+])C(=O)O; C N[CH](CCCC[NH3+])C(O)=O |
N-methyl Lysine |
| 30839 | NML CHEMBL11544 ZINC000001587576 |
0 | C3 H7 N O | InChI=1S/C3H7NO/c1-3(5)4- 2/h1-2H3,(H,4,5); OHLUUHNLEMFGTQ-UHFFFAOYSA-N |
O=C(NC)C; CC(=O)NC; CNC(C)=O | N-METHYLACETAMIDE |
| 30840 | NMM CHEMBL256147 DB11815 ZINC000001529776 |
7 | C7 H16 N4 O2 | InChI=1S/C7H16N4O2/c1-10- 7(9)11-4-2-3-5(8)6(12)13/ h5H,2-4,8H2,1H3,(H,12,13) (H3,9,10,11)/t5-/m0/s1; NTNWOCRCBQPEKQ-YFKPBYRVSA-N |
CNC(=N)NCCC[C@H](N)C(O)=O; [H]N=C(NC)NCC CC(C(=O)O)N; O=C(O)C(N)CCCNC(=[N@H])NC; [H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N; CNC(=N )NCCC[CH](N)C(O)=O |
(2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid; L-NMMA |
| 30841 | NMN ZINC000004228273 |
100 | C11 H16 N2 O8 P | InChI=1S/C11H15N2O8P/c12- 10(16)6-2-1-3-13(4-6)11-9 (15)8(14)7(21-11)5-20-22( 17,18)19/h1-4,7-9,11,14-1 5H,5H2,(H3-,12,16,17,18,1 9)/p+1/t7-,8-,9-,11-/m1/s 1; DAYLJWODMCOQEW-TURQNECASA-O |
NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O )(O)=O)[C@@H](O)[C@H]2O; c1cc(c[n+](c1)C 2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N; NC(=O) c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[C H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]( [C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N; O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O) O)N |
BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE; NICOTINAMIDE MONONUCLEOTIDE |
| 30842 | NMO | 0 | N O | InChI=1/HNO/c1-2/h1H; ODUCDPQEXGNKDN-UHFFFAOYAM |
[N]=O | NITROGEN MONOXIDE |
| 30843 | NMP DB04278 ZINC000015677257 |
1 | C17 H32 N6 O3 S | InChI=1S/C17H32N6O3S/c1-1 1(15(25)20-8-5-9-27)22-13 (24)10-21-16(26)14(23-17( 18)19)12-6-3-2-4-7-12/h11 -12,14,27H,2-10H2,1H3,(H, 20,25)(H,21,26)(H,22,24)( H4,18,19,23)/t11-,14+/m0/ s1; YLLNYDDZOMCFDE-SMDDNHRTSA-N |
C[CH](NC(=O)CNC(=O)[CH](NC(N)=N)C1CCCCC1 )C(=O)NCCCS; C[C@@H](C(=O)NCCCS)NC(=O)CN C(=O)[C@@H](C1CCCCC1)NC(=N)N; C[C@H](NC( =O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NC CCS; CC(C(=O)NCCCS)NC(=O)CNC(=O)C(C1CCCC C1)NC(=N)N; O=C(NCCCS)C(NC(=O)CNC(=O)C(N C(=[N@H])N)C1CCCCC1)C |
2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE |
| 30844 | NMQ DB08276 |
1 | C9 H13 Be F3 N2 O9 P2 | InChI=1S/C9H14N2O9P2.Be.3 FH/c1-10(8-4-2-3-5-9(8)11 (12)13)6-7-19-22(17,18)20 -21(14,15)16;;;;/h2-5H,6- 7H2,1H3,(H,17,18)(H2,14,1 5,16);;3*1H/q;+3;;;/p-4; LIFJVXDWLUOXQS-UHFFFAOYSA-J |
[Be-](OP(=O)(O)OP(=O)(O)OCCN(C)c1ccccc1[ N+](=O)[O-])(F)(F)F; CN(CCO[P](O)(=O)O[P ](O)(=O)O[Be-](F)(F)F)c1ccccc1[N+]([O-]) =O; CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-] (F)(F)F)c1ccccc1[N+]([O-])=O; [Be-](O[P@ @](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1 [N+](=O)[O-])(F)(F)F |
N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE |
| 30845 | NMR | 21 | C6 H4 B Cl2 O2 | InChI=1S/C6H4BCl2O2/c8-5- 1-4(7(10)11)2-6(9)3-5/h1- 3,10H; QFYDXKOJHIFUIC-UHFFFAOYSA-N |
O[B](=O)c1cc(Cl)cc(Cl)c1; B(=O)(c1cc(cc( c1)Cl)Cl)O |
[3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron |
| 30846 | NMS ZINC000058638726 |
0 | C13 H20 N3 O10 P | InChI=1S/C13H20N3O10P/c1- 6-3-16(13(20)15-11(6)19)1 2-10(24-5-8(17)14-2)9(18) 7(26-12)4-25-27(21,22)23/ h3,7,9-10,12,18H,4-5H2,1- 2H3,(H,14,17)(H,15,19,20) (H2,21,22,23)/t7-,9-,10-, 12-/m1/s1; PQERMMDCFWNASH-UGKPPGOTSA-N |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)OCC(=O)NC; CC1=CN(C(=O)NC1=O)[C@H]2[C @@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(= O)NC; CNC(=O)CO[CH]1[CH](O)[CH](CO[P](O) (O)=O)O[CH]1N2C=C(C)C(=O)NC2=O; CNC(=O)C O[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C @H]1N2C=C(C)C(=O)NC2=O; O=C1NC(=O)N(C=C1 C)C2OC(C(O)C2OCC(=O)NC)COP(=O)(O)O |
1-(O2-(2-METHYLAMINO-2-OXO-ETHYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE |
| 30847 | NMT ZINC000098209235 |
0 | C12 H20 N3 O10 P | InChI=1S/C12H20N3O10P/c1- 5-3-15(11(18)14-9(5)17)10 -8(25-12(19)13-2)7(16)6(2 4-10)4-23-26(20,21)22/h3, 6-8,10,12-13,16,19H,4H2,1 -2H3,(H,14,17,18)(H2,20,2 1,22)/t6-,7-,8-,10-,12+/m 1/s1; NBDRJSHPMIOFTH-REKNECKOSA-N |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)OC(NC)O; CN[CH](O)O[CH]1[CH](O)[CH](C O[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O; C N[C@@H](O)O[C@@H]1[C@H](O)[C@@H](CO[P](O )(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O; CC1=CN (C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2 )COP(=O)(O)O)O)OC(NC)O; O=C1NC(=O)N(C=C1 C)C2OC(C(O)C2OC(O)NC)COP(=O)(O)O |
1-(O2-(METHYLCARBAMOYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE |
| 30848 | NMU ZINC000005209166 |
2 | C2 H6 N2 O | InChI=1S/C2H6N2O/c1-4-2(3 )5/h1H3,(H3,3,4,5); XGEGHDBEHXKFPX-UHFFFAOYSA-N |
CNC(=O)N; O=C(N)NC; CNC(N)=O | N-METHYLUREA |
| 30849 | NMV CHEMBL5290159 |
1 | C14 H16 N4 O | InChI=1S/C14H16N4O/c15-7- 10-1-3-11(4-2-10)8-17-13- 6-5-12(9-18-13)14(16)19/h 1-6,9H,7-8,15H2,(H2,16,19 )(H,17,18); GOGLJESHQNHTBF-UHFFFAOYSA-N |
c1cc(ccc1CN)CNc2ccc(cn2)C(=O)N; NCc1ccc( CNc2ccc(cn2)C(N)=O)cc1 |
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide |
| 30850 | NMW | 1 | C23 H22 N2 O5 | InChI=1S/C23H22N2O5/c1-29 -20-10-14-7-9-25(23(28)17 -6-5-16(26)11-19(17)27)22 (15-4-3-8-24-13-15)18(14) 12-21(20)30-2/h3-6,8,10-1 3,22,26-27H,7,9H2,1-2H3/t 22-/m1/s1; CLPZEFHDKKRVHY-JOCHJYFZSA-N |
COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4 ccc(O)cc4O; COc1cc2CCN([C@H](c3cccnc3)c2 cc1OC)C(=O)c4ccc(O)cc4O; COc1cc2c(cc1OC) C(N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4; COc1 cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O )c4cccnc4 |
[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone |
| 30851 | NMX DB04230 ZINC000098209236 |
1 | C22 H37 N8 O18 P3 | InChI=1S/C22H37N8O18P3/c1 -22(2,17(33)20(34)25-6-4- 13(31)24-5-3-7-30(35)36)9 -45-51(42,43)48-50(40,41) 44-8-12-16(47-49(37,38)39 )15(32)21(46-12)29-11-28- 14-18(23)26-10-27-19(14)2 9/h10-12,15-17,21,32-33H, 3-9H2,1-2H3,(H,24,31)(H,2 5,34)(H,40,41)(H,42,43)(H 2,23,26,27)(H2,37,38,39)/ t12-,15-,16-,17+,21-/m1/s 1; PUGKTLRHGHIDCJ-GORZOVPNSA-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)NCCC[N+](= O)[O-])O; [O-][N+](=O)CCCNC(=O)CCNC(=O)C (O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cn c1c(ncnc12)N)C(O)C3OP(=O)(O)O; CC(C)(CO[ P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H] (O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23) [C@@H](O)C(=O)NCCC(=O)NCCC[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)ncn c23)[CH](O)C(=O)NCCC(=O)NCCC[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)NCCC[N+](=O)[O-])O |
NITROMETHYLDETHIA COENZYME A |
| 30852 | NMY CHEMBL184618 DB00452 ZINC000071928291 |
45 | C23 H46 N6 O13 | InChI=1S/C23H46N6O13/c24- 2-7-13(32)15(34)10(28)21( 37-7)40-18-6(27)1-5(26)12 (31)20(18)42-23-17(36)19( 9(4-30)39-23)41-22-11(29) 16(35)14(33)8(3-25)38-22/ h5-23,30-36H,1-4,24-29H2/ t5-,6+,7-,8+,9-,10-,11-,1 2+,13-,14-,15-,16-,17-,18 -,19-,20-,21-,22-,23+/m1/ s1; PGBHMTALBVVCIT-VCIWKGPPSA-N |
C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3 C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N ; NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH] (O)[CH]2O[CH]3O[CH](CO)[CH](O[CH]4O[CH]( CN)[CH](O)[CH](O)[CH]4N)[CH]3O)[CH](N)[C H](O)[CH]1O; C1[C@H]([C@@H]([C@H]([C@@H] ([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@ H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H ](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@ H](O4)CN)O)O)N)O)O)N; NC[C@H]1O[C@H](O[C @@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[ C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN )[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H]( N)[C@@H](O)[C@@H]1O; O(C2C(OC1OC(CN)C(O) C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O )C(O)C3N)C4O)CO |
NEOMYCIN; MYCIFRADIN; NEOMAS; PIMAVECORT; VONAMYCIN |
| 30853 | NMZ ZINC000263621150 |
0 | C27 H52 F N7 O14 | InChI=1S/C27H52FN7O14/c28 -13-10(4-30)44-25(14(33)1 8(13)40)47-21-7(32)3-8(35 -24(43)9(37)1-2-29)16(38) 23(21)49-27-20(42)22(12(6 -36)46-27)48-26-15(34)19( 41)17(39)11(5-31)45-26/h7 -23,25-27,36-42H,1-6,29-3 4H2,(H,35,43)/t7-,8+,9-,1 0+,11-,12+,13-,14+,15+,16 -,17+,18-,19+,20+,21+,22+ ,23+,25+,26+,27-/m0/s1; VWXJAOATJPQONW-MKAHEPKYSA-N |
C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2) CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O 4)CN)F)O)N)N; FC1C(O)C(N)C(OC1CN)OC4C(N) CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN) C(O)C(O)C2N)C3O)CO; C1[C@@H]([C@H]([C@@H ]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H ]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@ H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C @@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O) N)N; NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O [CH]2O[CH](CN)[CH](F)[CH](O)[CH]2N)[CH]( O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH]( O)[CH](O)[CH]4N)[CH]3O)[CH]1O; NCC[C@H]( O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[ C@H](CN)[C@H](F)[C@H](O)[C@H]2N)[C@H](O[ C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](CN )[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O)[C@H]1 O |
(2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide; 1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin |
| 30854 | NN0 | 1 | C21 H19 Cl N2 O5 | InChI=1S/C21H19ClN2O5/c1- 23-15-10-12(19(27)18-16(2 5)7-4-8-17(18)26)14(22)9- 13(15)20(28)24(21(23)29)1 1-5-2-3-6-11/h4,7,9-11,25 H,2-3,5-6,8H2,1H3; NXRNXJJBHSMWKA-UHFFFAOYSA-N |
CN1c2cc(c(cc2C(=O)N(C1=O)C3CCCC3)Cl)C(=O )C4=C(C=CCC4=O)O; CN1C(=O)N(C2CCCC2)C(=O )c3cc(Cl)c(cc13)C(=O)C4=C(O)C=CCC4=O |
6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione |
| 30855 | NN1 DB08277 ZINC000100036563 |
1 | C21 H27 Cl F N O4 S | InChI=1S/C21H27ClFNO4S/c1 -20(2,28-17-5-4-15(23)8-1 6(17)22)19(25)24-18-13-6- 12-7-14(18)11-21(9-12,10- 13)29(3,26)27/h4-5,8,12-1 4,18H,6-7,9-11H2,1-3H3,(H ,24,25)/t12-,13-,14+,18-, 21-; ULLPKOZNMAWTIP-JGSHYQHOSA-N |
CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2 )S(=O)(=O)C)Oc4ccc(cc4Cl)F; CC(C)(Oc1ccc (F)cc1Cl)C(=O)NC2[CH]3CC4C[CH]2CC(C4)(C3 )[S](C)(=O)=O; CC(C)(Oc1ccc(F)cc1Cl)C(=O )NC2[C@H]3CC4C[C@@H]2CC(C4)(C3)[S](C)(=O )=O; CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)S(= O)(=O)C)Oc4ccc(cc4Cl)F; Fc4ccc(OC(C(=O)N C2C1CC3CC(C1)(CC2C3)S(=O)(=O)C)(C)C)c(Cl )c4 |
2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE |
| 30856 | NN2 CHEMBL372357 DB08278 ZINC000100036569 |
2 | C21 H18 F N3 O4 S | InChI=1S/C21H18FN3O4S/c22 -13-7-8-16-14(11-13)19(26 )18(21(27)25(16)10-9-12-5 -6-12)20-23-15-3-1-2-4-17 (15)30(28,29)24-20/h1-4,7 -8,11-12,26H,5-6,9-10H2,( H,23,24); QEMCDXCXSVPAAB-UHFFFAOYSA-N |
c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N (C3=O)CCC5CC5)F)O; Fc3cc4C(O)=C(C2=Nc1c( cccc1)S(=O)(=O)N2)C(=O)N(c4cc3)CCC5CC5; OC1=C(C(=O)N(CCC2CC2)c3ccc(F)cc13)C4=Nc5 ccccc5[S](=O)(=O)N4 |
1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE |
| 30857 | NN3 CHEMBL561360 DB08279 ZINC000100036573 |
3 | C22 H27 N O3 S | InChI=1S/C22H27NO3S/c1-14 (2)23(21(24)17-11-9-15(3) 10-12-17)18-13-19(27-20(1 8)22(25)26)16-7-5-4-6-8-1 6/h4-8,13-15,17H,9-12H2,1 -3H3,(H,25,26)/t15-,17-; RZXQBIKGWSLVEK-JCNLHEQBSA-N |
CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc 3)C(C)C; CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c 2cc(sc2C(O)=O)c3ccccc3; CC(C)N(C(=O)[C@H ]1CC[C@H](C)CC1)c2cc(sc2C(O)=O)c3ccccc3; O=C(O)c2sc(cc2N(C(=O)C1CCC(C)CC1)C(C)C) c3ccccc3 |
3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID |
| 30858 | NN4 DB08280 ZINC000100036578 |
8 | C22 H30 N2 O4 | InChI=1S/C22H30N2O4/c1-21 (2,28-17-6-4-16(27-3)5-7- 17)20(26)24-18-14-8-13-9- 15(18)12-22(10-13,11-14)1 9(23)25/h4-7,13-15,18H,8- 12H2,1-3H3,(H2,23,25)(H,2 4,26)/t13-,14-,15+,18-,22 -; MNVKIDPRYUGTTG-YINOZDTMSA-N |
CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)O c4ccc(cc4)OC; COc1ccc(OC(C)(C)C(=O)NC2[C H]3CC4C[CH]2CC(C4)(C3)C(N)=O)cc1; O=C(N) C14CC3CC(CC(C1)C3NC(=O)C(Oc2ccc(OC)cc2)( C)C)C4; CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1C C(C3)(C2)C(=O)N)Oc4ccc(cc4)OC; COc1ccc(O C(C)(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(C4)(C 3)C(N)=O)cc1 |
(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE |
| 30859 | NN5 CHEMBL4646785 |
1 | C25 H25 N5 O3 | InChI=1S/C25H25N5O3/c1-16 -13-20(14-17(2)23(16)31)1 9-5-8-22-27-25(28-30(22)1 5-19)26-21-6-3-18(4-7-21) 24(32)29-9-11-33-12-10-29 /h3-8,13-15,31H,9-12H2,1- 2H3,(H,26,28); SBPRNAZJEHULEN-UHFFFAOYSA-N |
Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4 )C(=O)N5CCOCC5; Cc1cc(cc(C)c1O)c2ccc3nc( Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2 |
[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone |
| 30860 | NN6 CHEMBL3654198 ZINC000203431621 |
1 | C17 H14 F4 N4 O | InChI=1S/C17H14F4N4O/c18- 8-5-13(20)15(14(21)6-8)10 -1-2-12(19)9-3-4-25(7-11( 9)10)17(26)24-16(22)23/h1 -2,5-6H,3-4,7H2,(H4,22,23 ,24,26); YBJHLGWWZWMRCD-UHFFFAOYSA-N |
c1cc(c2c(c1c3c(cc(cc3F)F)F)CN(CC2)C(=O)N =C(N)N)F; NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1 )c3c(F)cc(F)cc3F; N\C(N)=N/C(=O)N1CCc2c( C1)c(ccc2F)c1c(F)cc(F)cc1F |
~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide |
| 30861 | NN7 CHEMBL3261407 ZINC000043152877 |
1 | C25 H27 F N4 O2 S | InChI=1S/C25H27FN4O2S/c1- 16-12-17(2)25(18(3)13-16) 33(31,32)29-19(4)14-27-23 -6-5-7-24-22(23)15-28-30( 24)21-10-8-20(26)9-11-21/ h5-13,15,19,27,29H,14H2,1 -4H3/t19-/m0/s1; NMWIJNGJMPMFQG-IBGZPJMESA-N |
O=S(=O)(c1c(cc(cc1C)C)C)NC(C)CNc2cccc3c2 cnn3c4ccc(F)cc4; Cc1cc(c(c(c1)C)S(=O)(=O )NC(C)CNc2cccc3c2cnn3c4ccc(cc4)F)C; Cc1c c(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c 2cnn3c4ccc(cc4)F)C; C[C@@H](CNc1cccc2n(n cc12)c3ccc(F)cc3)N[S](=O)(=O)c4c(C)cc(C) cc4C; C[CH](CNc1cccc2n(ncc12)c3ccc(F)cc3 )N[S](=O)(=O)c4c(C)cc(C)cc4C |
N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide |
| 30862 | NN8 | 2 | C23 H22 N2 O5 | InChI=1S/C23H22N2O5/c1-29 -20-10-14-7-9-25(23(28)17 -6-5-16(26)11-19(17)27)22 (15-4-3-8-24-13-15)18(14) 12-21(20)30-2/h3-6,8,10-1 3,22,26-27H,7,9H2,1-2H3/t 22-/m0/s1; CLPZEFHDKKRVHY-QFIPXVFZSA-N |
COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4 ccc(O)cc4O; COc1cc2c(cc1OC)C(N(CC2)C(=O) c3ccc(cc3O)O)c4cccnc4; COc1cc2CCN([C@@H] (c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O; COc 1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O )O)c4cccnc4 |
[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone |
| 30863 | NN9 CHEMBL5268916 |
1 | C14 H16 N4 O | InChI=1S/C14H16N4O/c15-7- 10-2-1-3-11(6-10)8-17-13- 5-4-12(9-18-13)14(16)19/h 1-6,9H,7-8,15H2,(H2,16,19 )(H,17,18); WXURPGONLMDDHC-UHFFFAOYSA-N |
c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN; NCc1cc cc(CNc2ccc(cn2)C(N)=O)c1 |
6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide |
| 30864 | NNA ZINC000098209237 |
5 | C36 H63 N5 O7 S | InChI=1S/C36H63N5O7S/c1-1 0-11-15-24(27(42)30(44)37 -22-16-17-22)38-29(43)26- 25-23(35(25,8)9)20-41(26) 31(45)28(33(2,3)4)39-32(4 6)40-36(18-13-12-14-19-36 )21-49(47,48)34(5,6)7/h22 -28,42H,10-21H2,1-9H3,(H, 37,44)(H,38,43)(H2,39,40, 46)/t23-,24-,25-,26-,27+, 28+/m0/s1; BZXRATSZUNDEEV-FZFXNXQRSA-N |
CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[C H](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C )C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4; CCC C[C@@H]([C@H](C(=O)NC1CC1)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 ; CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C )C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C S(=O)(=O)C(C)(C)C; CCCC[C@H](NC(=O)[C@@H ]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC3( CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2( C)C)[C@@H](O)C(=O)NC4CC4; O=C(N3C(C(=O)N C(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(N C(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)( C)C |
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; Narlaprevir, bound form |
| 30865 | NNB CHEMBL191190 DB08281 ZINC000018415445 |
1 | C17 H13 Br N2 O3 S | InChI=1S/C17H13BrN2O3S/c1 8-11-5-7-12(8-6-11)19-17( 24)23-10-9-20-15(21)13-3- 1-2-4-14(13)16(20)22/h1-8 H,9-10H2,(H,19,24); BDVAWAILQCYMQE-UHFFFAOYSA-N |
Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O ; c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc( cc3)Br; Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3 C2=O)cc1 |
O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate |
| 30866 | NNC CHEMBL191141 DB08282 ZINC000013980686 |
1 | C17 H13 Cl N2 O3 S | InChI=1S/C17H13ClN2O3S/c1 8-11-5-7-12(8-6-11)19-17( 24)23-10-9-20-15(21)13-3- 1-2-4-14(13)16(20)22/h1-8 H,9-10H2,(H,19,24); BWRRXOIACQYNEK-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc 3)Cl; Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2 =O)cc1; Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2cc ccc2C3=O |
O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate |
| 30867 | NND CHEMBL408500 DB08283 ZINC000014253608 |
2 | C15 H31 N O4 | InChI=1S/C15H31NO4/c1-2-3 -4-5-6-7-8-9-16-10-13(18) 15(20)14(19)12(16)11-17/h 12-15,17-20H,2-11H2,1H3/t 12-,13+,14-,15-/m1/s1; FTSCEGKYKXESFF-LXTVHRRPSA-N |
CCCCCCCCCN1CC(C(C(C1CO)O)O)O; CCCCCCCCCN 1C[CH](O)[CH](O)[CH](O)[CH]1CO; CCCCCCCC CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO; C CCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H] 1CO)O)O)O; OCC1N(CCCCCCCCC)CC(O)C(O)C1O |
(2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL; N-NONYL-DEOXYNOJIRIMYCIN |
| 30868 | NNE | 2 | C30 H32 Cl4 N2 O6 | InChI=1S/C30H32Cl4N2O6/c1 -5-17(3)29(39)19-9-11-21( 27(33)25(19)31)41-15-23(3 7)35-13-7-8-14-36-24(38)1 6-42-22-12-10-20(26(32)28 (22)34)30(40)18(4)6-2/h9- 12H,3-8,13-16H2,1-2H3,(H, 35,37)(H,36,38); DJUYDJABFNZJNL-UHFFFAOYSA-N |
C=C(/C(c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(CO c2ccc(c(c2Cl)Cl)C(=O)/C(CC)=C)=O)=O)CC; CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCC NC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC; CC C(=C)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)COc2cc c(c(Cl)c2Cl)C(=O)C(=C)CC)c(Cl)c1Cl |
N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} |
| 30869 | NNF ZINC000017724487 |
2 | C15 H17 F N4 O | InChI=1S/C15H17FN4O/c1-11 -10-14(21)18-15(17-11)20- 8-6-19(7-9-20)13-4-2-12(1 6)3-5-13/h2-5,10H,6-9H2,1 H3,(H,17,18,21); AGOINTKVGRVJJT-UHFFFAOYSA-N |
Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3; CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3; CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F |
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one |
| 30870 | NNG ZINC000016052348 |
2 | C7 H17 N O10 P2 | InChI=1S/C7H17NO10P2/c1-1 9(12,13)8-4-6(10)5(9)3(18 -7(4)11)2-17-20(14,15)16/ h3-7,9-11H,2H2,1H3,(H2,8, 12,13)(H2,14,15,16)/t3-,4 -,5-,6-,7+/m1/s1; YCTZDNRMKSWCHF-GKHCUFPYSA-N |
O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O; C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[ C@@H]1O)COP(=O)(O)O)O)O)O; C[P@@](O)(=O) N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@ @H](O)[C@@H]1O; CP(=O)(NC1C(C(C(OC1O)COP (=O)(O)O)O)O)O; C[P](O)(=O)N[CH]1[CH](O) O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O |
2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose; N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose; 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose |
| 30871 | NNH CHEMBL1234777 DB02381 ZINC000002244322 |
11 | C5 H12 N4 O3 | InChI=1S/C5H12N4O3/c6-3(4 (10)11)1-2-8-5(7)9-12/h3, 12H,1-2,6H2,(H,10,11)(H3, 7,8,9)/t3-/m0/s1; KOBHCUDVWOTEKO-VKHMYHEASA-N |
O=C(O)C(N)CCNC(=[N@H])NO; [H]/N=C(/NCC[C @@H](C(=O)O)N)\NO; N[CH](CCNC(=N)NO)C(O) =O; [H]N=C(NCCC(C(=O)O)N)NO; N[C@@H](CCN C(=N)NO)C(O)=O |
NOR-N-OMEGA-HYDROXY-L-ARGININE |
| 30872 | NNI CHEMBL191910 DB08284 ZINC000013644801 |
1 | C17 H13 I N2 O3 S | InChI=1S/C17H13IN2O3S/c18 -11-5-7-12(8-6-11)19-17(2 4)23-10-9-20-15(21)13-3-1 -2-4-14(13)16(20)22/h1-8H ,9-10H2,(H,19,24); CYYIBMGIJWXZEP-UHFFFAOYSA-N |
c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc 3)I; Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2 C3=O; Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2= O)cc1 |
O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate |
| 30873 | NNJ ZINC000098209238 |
0 | C7 H11 N2 | InChI=1S/C7H11N2/c1-9-4-2 -3-7(5-8)6-9/h2-4,6H,5,8H 2,1H3/q+1; MNWIURYABWVSGR-UHFFFAOYSA-N |
C[n+]1cccc(CN)c1; NCc1ccc[n+](c1)C; C[n+ ]1cccc(c1)CN |
3-(aminomethyl)-1-methylpyridinium |
| 30874 | NNK ZINC000044249405 |
1 | C7 H11 N2 | InChI=1S/C7H11N2/c1-9-4-2 -7(6-8)3-5-9/h2-5H,6,8H2, 1H3/q+1; BBCRICAXKQUDPF-UHFFFAOYSA-N |
C[n+]1ccc(CN)cc1; NCc1cc[n+](cc1)C; C[n+ ]1ccc(cc1)CN |
4-(aminomethyl)-1-methylpyridinium |
| 30875 | NNL CHEMBL1234778 |
2 | C14 H14 Cl N5 | InChI=1S/C14H14ClN5/c1-10 -8-13(14-18-17-9-20(14)19 -10)16-7-6-11-2-4-12(15)5 -3-11/h2-5,8-9,16H,6-7H2, 1H3; ANMSXJNKBNFCTH-UHFFFAOYSA-N |
Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C; Cc1cc(c 2nncn2n1)NCCc3ccc(cc3)Cl; Cc1cc(NCCc2ccc (Cl)cc2)c3nncn3n1 |
N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine |
| 30876 | NNM | 2 | C40 H69 O4 P | InChI=1S/C40H69O4P/c1-33( 2)17-10-18-34(3)19-11-20- 35(4)21-12-22-36(5)23-13- 24-37(6)25-14-26-38(7)27- 15-28-39(8)29-16-30-40(9) 31-32-44-45(41,42)43/h40H ,1,3-8,10-32H2,2,9H3,(H2, 41,42,43)/t40-/m1/s1; CTKMEBTWSXRRSJ-RRHRGVEJSA-N |
C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC CC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O; C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C CCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C (CCCC(=C)/CCC\C(=C)CCC/C(CCC\C(=C)CCC/C( CCC\C(=C)CCC\C(=C)C)=C)=C)(CCOP(O)(O)=O) C; CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC CC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C[ C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCC C(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O |
(3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate |
| 30877 | NNN CHEMBL482193 DB08285 |
2 | C19 H26 N6 O | InChI=1S/C19H26N6O/c1-4-1 5(12-26)22-18-23-17-16(13 (2)3)11-21-25(17)19(24-18 )20-10-14-8-6-5-7-9-14/h5 -9,11,13,15,26H,4,10,12H2 ,1-3H3,(H2,20,22,23,24)/t 15-/m1/s1; SQUNOCMDMIQIQK-OAHLLOKOSA-N |
CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c 3n1; CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C (C)C)c3n1; CC[C@H](CO)Nc1nc2c(cnn2c(n1)N Cc3ccccc3)C(C)C; n2c1c(cnn1c(nc2NC(CC)CO )NCc3ccccc3)C(C)C; CCC(CO)Nc1nc2c(cnn2c( n1)NCc3ccccc3)C(C)C |
(2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol |
| 30878 | NNO | 13 | C6 H5 N O4 | InChI=1S/C6H5NO4/c8-5-2-1 -4(6(9)10)3-7(5)11/h1-3,8 H,(H,9,10); PQTDJLRPWRPPLV-UHFFFAOYSA-N |
OC(=O)c1ccc(O)[n+]([O-])c1; O=C(O)c1c[n+ ]([O-])c(O)cc1; c1cc([n+](cc1C(=O)O)[O-] )O |
6-HYDROXYISONICOTINIC ACID N-OXIDE |
| 30879 | NNQ CHEMBL2270128 ZINC000070455165 |
1 | C18 H25 N O | InChI=1S/C18H25NO/c1-2-3- 4-5-6-7-8-11-15-14-18(20) 16-12-9-10-13-17(16)19-15 /h9-10,12-14H,2-8,11H2,1H 3,(H,19,20); KKRXDNYRUZGPFM-UHFFFAOYSA-N |
CCCCCCCCCC1=CC(=O)c2ccccc2N1; O=C2c1c(cc cc1)NC(=C2)CCCCCCCCC |
2-nonylquinolin-4(1H)-one |
| 30880 | NNR CHEMBL438497 DB14933 ZINC000004096036 |
9 | C11 H15 N2 O5 | InChI=1S/C11H14N2O5/c12-1 0(17)6-2-1-3-13(4-6)11-9( 16)8(15)7(5-14)18-11/h1-4 ,7-9,11,14-16H,5H2,(H-,12 ,17)/p+1/t7-,8-,9-,11-/m1 /s1; JLEBZPBDRKPWTD-TURQNECASA-O |
NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O) [CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H ]([C@H](O2)CO)O)O)C(=O)N; NC(=O)c1ccc[n+ ](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O; c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N; O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N |
Nicotinamide riboside; 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium |
| 30881 | NNS | 0 | C8 H9 N O2 | InChI=1/C8H9NO2/c1-6(10)9 -7-2-4-8(11)5-3-7/h2-5,11 H,1H3,(H,9,10)/f/h9H; RZVAJINKPMORJF-BGGKNDAXCW |
CC(=O)Nc1ccc(cc1)O; CC(=O)Nc1ccc(O)cc1; O=C(Nc1ccc(O)cc1)C |
4-ACETYL-AMINOPHENOL; PARACETAMOL |
| 30882 | NNT | 0 | C7 H10 Cl N2 | InChI=1S/C7H10ClN2/c1-10- 3-2-7(8)6(4-9)5-10/h2-3,5 H,4,9H2,1H3/q+1; RRNWGKZANUHRIC-UHFFFAOYSA-N |
C[n+]1ccc(c(c1)CN)Cl; Clc1cc[n+](cc1CN)C ; C[n+]1ccc(Cl)c(CN)c1 |
3-(aminomethyl)-4-chloro-1-methylpyridinium |
| 30883 | NNU ZINC000035570032 |
0 | C6 H7 Cl N2 | InChI=1S/C6H7ClN2/c7-6-1- 2-9-4-5(6)3-8/h1-2,4H,3,8 H2; ORHVJXZYOADENO-UHFFFAOYSA-N |
Clc1ccncc1CN; c1cncc(c1Cl)CN; NCc1cnccc1 Cl |
1-(4-chloropyridin-3-yl)methanamine |
| 30884 | NNV ZINC000085589516 |
3 | C14 H14 N2 O4 | InChI=1S/C14H14N2O4/c17-1 3(18)7-3-1-5-9-11(7)16-10 -6-2-4-8(14(19)20)12(10)1 5-9/h1-2,5-8,11,16H,3-4H2 ,(H,17,18)(H,19,20)/t7-,8 -,11+/m1/s1; FXTPBWZKMDQSSJ-XLDPMVHQSA-N |
OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH] 3C(O)=O; C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O) NC2[C@@H]1C(=O)O; OC(=O)[C@@H]1CC=CC2=NC 3=C(N[C@@H]12)C=CC[C@H]3C(O)=O; C1C=CC2= NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O; O=C(O)C3 C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3 |
(1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid |
| 30885 | NNW CHEMBL1188378 ZINC000000158598 |
2 | C6 H8 N2 | InChI=1S/C6H8N2/c7-5-6-1- 3-8-4-2-6/h1-4H,5,7H2; TXQWFIVRZNOPCK-UHFFFAOYSA-N |
NCc1ccncc1; c1cnccc1CN; n1ccc(cc1)CN | 1-(pyridin-4-yl)methanamine |
| 30886 | NNX ZINC000098209240 |
0 | C7 H10 Cl N2 | InChI=1S/C7H10ClN2/c1-10- 3-2-6(8)4-7(10)5-9/h2-4H, 5,9H2,1H3/q+1; LNGYGZSEXVDQEO-UHFFFAOYSA-N |
C[n+]1ccc(Cl)cc1CN; C[n+]1ccc(cc1CN)Cl; Clc1cc[n+](c(c1)CN)C |
2-(aminomethyl)-4-chloro-1-methylpyridinium |
| 30887 | NNY CHEMBL4588770 ZINC000039051096 |
0 | C6 H7 Cl N2 | InChI=1S/C6H7ClN2/c7-5-1- 2-9-6(3-5)4-8/h1-3H,4,8H2; FZCYDUZIHRNWSQ-UHFFFAOYSA-N |
NCc1cc(Cl)ccn1; c1cnc(cc1Cl)CN; Clc1ccnc (c1)CN |
1-(4-chloropyridin-2-yl)methanamine |
| 30888 | NNZ | 0 | C7 H11 N2 | InChI=1S/C7H11N2/c1-9-5-3 -2-4-7(9)6-8/h2-5H,6,8H2, 1H3/q+1; YORFTLSSGMZBTM-UHFFFAOYSA-N |
NCc1[n+](cccc1)C; C[n+]1ccccc1CN | 2-(aminomethyl)-1-methylpyridinium |
| 30889 | NO CHEMBL1234765 |
173 | N O | InChI=1S/HNO/c1-2/h1H; ODUCDPQEXGNKDN-UHFFFAOYSA-N |
[N]=O | NITRIC OXIDE; Nitrogen monoxide |
| 30890 | NO0 | 1 | C19 H14 N2 O | InChI=1S/C19H14N2O/c1-2-1 4-6-5-7-15(10-14)11-19(22 )21-18-13-20-12-16-8-3-4- 9-17(16)18/h1,3-10,12-13H ,11H2,(H,21,22); CLLYBOMGFSNDSO-UHFFFAOYSA-N |
C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21; C#Cc 1cccc(c1)CC(=O)Nc2cncc3c2cccc3; O=C(Cc1c ccc(c1)C#C)Nc2cncc3ccccc23 |
2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide |
| 30891 | NO1 ZINC000058638859 |
1 | C11 H11 N O3 | InChI=1S/C11H11NO3/c1-6-9 -7(5-13)3-2-4-8(9)12-10(6 )11(14)15/h2-4,12-13H,5H2 ,1H3,(H,14,15); BSECKLZXEJBFRE-UHFFFAOYSA-N |
Cc1c2c(cccc2[nH]c1C(=O)O)CO; O=C(O)c2c(c 1c(cccc1n2)CO)C; Cc1c([nH]c2cccc(CO)c12) C(O)=O |
4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid |
| 30892 | NO2 DB12529 |
403 | N O2 | InChI=1S/HNO2/c2-1-3/h(H, 2,3)/p-1; IOVCWXUNBOPUCH-UHFFFAOYSA-M |
[O-]N=O; N(=O)[O-] | NITRITE ION |
| 30893 | NO3 CHEMBL186200 DB14049 |
166 | N O3 | InChI=1S/NO3/c2-1(3)4/q-1; NHNBFGGVMKEFGY-UHFFFAOYSA-N |
[O-][N+]([O-])=O; [N+](=O)([O-])[O-] | NITRATE ION |
| 30894 | NO4 CHEMBL1625834 ZINC000002132373 |
6 | C15 H21 N | InChI=1S/C15H21N/c1-3-7-1 4(8-4-1)11-12-16-13-15-9- 5-2-6-10-15/h2,5-7,9-10,1 6H,1,3-4,8,11-13H2; RTJNHLXWVAXRBH-UHFFFAOYSA-N |
c1ccc(cc1)CNCCC2=CCCCC2; C1CCC(=CC1)CCNC c2ccccc2; c1ccc(cc1)CNCCC=2CCCCC=2 |
N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine |
| 30895 | NO5 | 2 | C5 H12 N2 O4 S | InChI=1S/C5H12N2O4S/c1-3( 2)4(5(8)9)7-12(6,10)11/h3 -4,7H,1-2H3,(H,8,9)(H2,6, 10,11)/t4-/m0/s1; IIRKLFOBJZBWGF-BYPYZUCNSA-N |
CC(C)[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C(C (=O)O)NS(=O)(=O)N; CC(C)[C@H](N[S](N)(=O )=O)C(O)=O; CC(C)[C@@H](C(=O)O)NS(=O)(=O )N |
(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid |
| 30896 | NO6 | 6 | C9 H12 N2 O2 S | InChI=1S/C9H12N2O2S/c10-8 (9(12)13)6-14-5-7-3-1-2-4 -11-7/h1-4,8H,5-6,10H2,(H ,12,13)/t8-/m0/s1; LHCQVBLTAYDREK-QMMMGPOBSA-N |
c1ccnc(c1)CSCC(C(=O)O)N; c1ccnc(c1)CSC[C @@H](C(=O)O)N; N[CH](CSCc1ccccn1)C(O)=O; N[C@@H](CSCc1ccccn1)C(O)=O; O=C(O)C(N)C SCc1ccccn1 |
S-[(pyridin-2-yl)methyl]-L-cysteine |
| 30897 | NO7 | 1 | C13 H17 N5 O10 P2 | InChI=1S/C13H17N5O10P2/c1 -2-3-14-11-8-12(16-5-15-1 1)18(6-17-8)13-10(20)9(19 )7(27-13)4-26-30(24,25)28 -29(21,22)23/h1,5-7,9-10, 13,19-20H,3-4H2,(H,24,25) (H,14,15,16)(H2,21,22,23) /t7-,9-,10-,13+/m1/s1; DYWGWOPDXRINLT-HMMKDHSLSA-N |
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P] (O)(O)=O)n2cnc3c(NCC#C)ncnc23; O[C@H]1[C @@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O) (O)=O)n2cnc3c(NCC#C)ncnc23; C#CCNc1c2c(n cn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O) O)O)O; C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@ H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O) O)O; c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)( =O)OP(O)(O)=O)O3)O)O |
9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine |
| 30898 | NO8 | 8 | C33 H55 N9 O14 | InChI=1S/C33H55N9O14/c1-1 4(34)31(53)42-10-6-8-20(4 2)29(51)36-11-22(46)39-18 (12-43)28(50)40-23(30(52) 37-15(2)32(54)41-9-5-7-19 (41)27(35)49)16(3)55-33-2 4(38-17(4)45)26(48)25(47) 21(13-44)56-33/h14-16,18- 21,23-26,33,43-44,47-48H, 5-13,34H2,1-4H3,(H2,35,49 )(H,36,51)(H,37,52)(H,38, 45)(H,39,46)(H,40,50)/t14 -,15-,16+,18-,19-,20-,21+ ,23-,24+,25-,26+,33-/m0/s 1; SQMBDAVTEXMIPT-PEECNIKTSA-N |
C[CH](N)C(=O)N1CCC[CH]1C(=O)NCC(=O)N[CH] (CO)C(=O)N[CH]([CH](C)O[CH]2O[CH](CO)[CH ](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](C)C(= O)N3CCC[CH]3C(N)=O; C[C@H]([C@@H](C(=O)N [C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C @H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@ H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H]( O3)CO)O)O)NC(=O)C; C[C@H](N)C(=O)N1CCC[C @H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H]( [C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@H]( O)[C@H]2NC(C)=O)C(=O)N[C@@H](C)C(=O)N3CC C[C@H]3C(N)=O; CC(C(C(=O)NC(C)C(=O)N1CCC C1C(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2 C(=O)C(C)N)OC3C(C(C(C(O3)CO)O)O)NC(=O)C |
(2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide |
| 30899 | NO9 ZINC000032627677 |
6 | C7 H9 N O5 S | InChI=1S/C7H9NO5S/c1-3-5( 7(9)10)6(4(2)13-3)14(8,11 )12/h1-2H3,(H,9,10)(H2,8, 11,12); YPWRJNLSEWKOGW-UHFFFAOYSA-N |
Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O; Cc1oc(C )c(c1C(O)=O)[S](N)(=O)=O |
2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid |
| 30900 | NOA CHEMBL1234781 DB08286 ZINC000000038389 |
1 | C12 H10 O3 | InChI=1S/C12H10O3/c13-12( 14)8-15-11-7-3-5-9-4-1-2- 6-10(9)11/h1-7H,8H2,(H,13 ,14); GHRYSOFWKRRLMI-UHFFFAOYSA-N |
c1ccc2c(c1)cccc2OCC(=O)O; O=C(O)COc2cccc 1ccccc12; OC(=O)COc1cccc2ccccc12 |
NAPHTHYLOXYACETIC ACID |
| 30901 | NOB | 16 | B2 H3 Li O5 | InChI=1S/B2H3O5.Li/c3-1(4 )7-2(5)6;/h3-5H;/q-1;+1; OBDSFKZXLCSJJG-UHFFFAOYSA-N |
[Li]OB(O)OB(O)O | (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium |
| 30902 | NOC ZINC000058638705 |
1 | C11 H15 N5 O3 | InChI=1S/C11H15N5O3/c12-1 0-7-11(14-3-13-10)16(4-15 -7)6-1-5(2-17)8(18)9(6)19 /h3-6,8-9,17-19H,1-2H2,(H 2,12,13,14)/t5-,6+,8-,9-/ m0/s1; UGRNVLGKAGREKS-FAYXRDSDSA-N |
Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](CO)[C@H]( O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3C[CH](CO )[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3CC(C (C3O)O)CO)N; n1c(c2ncn(c2nc1)C3CC(CO)C(O )C3O)N; c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@ H]([C@H]3O)O)CO)N |
3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL; NEPLANOCIN |
| 30903 | NOD ZINC000043649746 |
0 | C29 H33 N O12 | InChI=1S/C29H33NO12/c1-12 -24(34)15(30-6-7-31)8-19( 41-12)42-17-10-29(39,18(3 3)11-32)9-14-21(17)28(38) 23-22(26(14)36)25(35)13-4 -3-5-16(40-2)20(13)27(23) 37/h3-5,12,15,17,19,24,30 -32,34,36,38-39H,6-11H2,1 -2H3/t12-,15+,17-,19-,24+ ,29-/m0/s1; XZJOMGCCXRRFJX-MIDWVNFUSA-N |
O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C C(O)(C(=O)CO)CC5OC4OC(C(O)C(NCCO)C4)C; C [C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](C c3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C (=O)CO)O)NCCO)O; CC1C(C(CC(O1)OC2CC(Cc3c 2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O )CO)O)NCCO)O; COc1cccc2C(=O)c3c(O)c4C[C] (O)(C[CH](O[CH]5C[CH](NCCO)[CH](O)[CH](C )O5)c4c(O)c3C(=O)c12)C(=O)CO; COc1cccc2C (=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@ H](NCCO)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O) c12)C(=O)CO |
N-ETHYLHYDROXY-DOXORUBICIN |
| 30904 | NOE DB02646 |
4 | C2 H5 N O | InChI=1S/C2H5NO/c1-2-3-4/ h2H2,1H3; IFYCAQIXDKZDTB-UHFFFAOYSA-N |
O=NCC; CCN=O | NITROSOETHANE |
| 30905 | NOF | 15 | C34 H45 Cl Ir N5 O4 S | InChI=1S/C24H31N5O4S.C10H 15.ClH.Ir/c1-24(2,3)33-23 (32)28-16-11-10-15(14-7-6 -12-25-20(14)16)26-19(30) 9-5-4-8-18-21-17(13-34-18 )27-22(31)29-21;1-6-7(2)9 (4)10(5)8(6)3;;/h6-7,10-1 2,17-18,21H,4-5,8-9,13H2, 1-3H3,(H4,25,26,27,28,29, 30,31,32);1-5H3;1H;/q;;;+ 3/p-2/t17-,18-,21-;;;/m0. ../s1; NIFXELQADIYDEE-HVXVAELJSA-L |
CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc c8c7c(ccc8NC(=O)CCCCC9C1C(CS9)NC(=O)N1)N 6C(=O)OC(C)(C)C)Cl)C; CC12C3([Ir]1456(C2 (C4(C53C)C)C)([n+]7cccc8c7c(ccc8NC(=O)CC CC[C@H]9[C@@H]1[C@H](CS9)NC(=O)N1)N6C(=O )OC(C)(C)C)Cl)C; CC1C(C)C(C)C(C)C1C.CC(C )(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CC CC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34; CC1 C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl) [n+]3cccc4c(NC(=O)CCCC[C@@H]5SC[C@@H]6NC (=O)N[C@H]56)ccc2c34 |
tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate; iridium catalyst for CH activation |
| 30906 | NOG CHEMBL1389 DB00367 ZINC000003814395 |
3 | C21 H28 O2 | InChI=1S/C21H28O2/c1-3-20 -11-9-17-16-8-6-15(22)13- 14(16)5-7-18(17)19(20)10- 12-21(20,23)4-2/h2,13,16- 19,23H,3,5-12H2,1H3/t16-, 17+,18+,19-,20-,21-/m0/s1; WWYNJERNGUHSAO-XUDSTZEESA-N |
CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34 ; O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC )CC4; CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O) CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C; CC[C@]1 2CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4 =CC(=O)CC[C@H]34; CC[C]12CC[CH]3[CH](CCC 4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C |
13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE; NORGESTREL |
| 30907 | NOH CHEMBL1161227 |
13 | C9 H14 N3 O8 P | InChI=1S/C9H14N3O8P/c13-5 -3-8(20-6(5)4-19-21(16,17 )18)12-2-1-7(11-15)10-9(1 2)14/h1-2,5-6,8,13,15H,3- 4H2,(H,10,11,14)(H2,16,17 ,18)/t5-,6+,8+/m0/s1; YKOWBJJOJNGCAD-SHYZEUOFSA-N |
ONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H]( CO[P](O)(O)=O)O2; C1[C@@H]([C@H](O[C@H]1 N2C=CC(=NC2=O)NO)COP(=O)(O)O)O; ONC1=NC( =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)= O)O2; C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)( O)O)O; O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C 1)CC2O |
2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate) |
| 30908 | NOI | 1 | C12 H12 Cl N3 O | InChI=1S/C12H12ClN3O/c1-1 6-8-14-7-11(16)15-12(17)6 -9-3-2-4-10(13)5-9/h2-5,7 -8H,6H2,1H3,(H,15,17); DVAZCJFDVZFHLG-UHFFFAOYSA-N |
Cn1cncc1NC(=O)Cc2cccc(c2)Cl; Cn1cncc1NC( =O)Cc2cccc(Cl)c2; O=C(Nc1cncn1C)Cc1cccc( Cl)c1 |
2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide |
| 30909 | NOJ CHEMBL307429 DB03206 ZINC000003794714 |
55 | C6 H13 N O4 | InChI=1S/C6H13NO4/c8-2-3- 5(10)6(11)4(9)1-7-3/h3-11 H,1-2H2/t3-,4+,5-,6-/m1/s 1; LXBIFEVIBLOUGU-JGWLITMVSA-N |
OC1C(NCC(O)C1O)CO; C1C(C(C(C(N1)CO)O)O)O ; C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O) O; OC[CH]1NC[CH](O)[CH](O)[CH]1O; OC[C@H ]1NC[C@H](O)[C@@H](O)[C@@H]1O |
1-DEOXYNOJIRIMYCIN; MORANOLINE |
| 30910 | NOK CHEMBL382689 ZINC000005167384 |
8 | C8 H16 N2 O4 | InChI=1S/C8H16N2O4/c1-4(1 2)10-5-2-9-6(3-11)8(14)7( 5)13/h5-9,11,13-14H,2-3H2 ,1H3,(H,10,12)/t5-,6+,7+, 8+/m0/s1; GBRAQQUMMCVTAV-LXGUWJNJSA-N |
CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O; CC( =O)NC1CNC(C(C1O)O)CO; CC(=O)N[C@H]1CN[C@ H](CO)[C@@H](O)[C@@H]1O; CC(=O)N[C@H]1CN [C@@H]([C@H]([C@@H]1O)O)CO; O=C(NC1C(O)C (O)C(NC1)CO)C |
2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN |
| 30911 | NOL ZINC000016052090 |
4 | C32 H50 N4 O7 | InChI=1S/C32H50N4O7/c1-21 (43-32(2,3)4)27(36-31(41) 42-20-23-13-9-6-10-14-23) 30(40)35-26(17-22-11-7-5- 8-12-22)29(39)34-25(19-37 )18-24-15-16-33-28(24)38/ h6,9-10,13-14,21-22,24-27 ,37H,5,7-8,11-12,15-20H2, 1-4H3,(H,33,38)(H,34,39)( H,35,40)(H,36,41)/t21-,24 +,25+,26+,27+/m1/s1; YIWYOEOSWRXENJ-FFXRMZKPSA-N |
CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2= O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C; C[CH](O C(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH ](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O; C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C( =O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3 ccccc3)OC(C)(C)C; C[C@@H](OC(C)(C)C)[C@H ](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC 2)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O; O=C(OC c1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2 )CO)CC3CCCCC3)C(OC(C)(C)C)C |
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE |
| 30912 | NOM DB01668 ZINC000004983927 |
1 | C16 H12 O6 | InChI=1S/C16H12O6/c1-6-11 -13(16-9(21-6)5-10(18)22- 16)14(19)7-3-2-4-8(17)12( 7)15(11)20/h2-4,6,9,16-17 H,5H2,1H3/t6-,9-,16-/m0/s 1; XUWPJKDMEZSVTP-UOSCCXBLSA-N |
C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O) cccc4C3=O; C[C@@H]1O[C@H]2CC(=O)O[C@@H]2 C3=C1C(=O)c4c(O)cccc4C3=O; O=C1C3=C(C(=O )c2c1cccc2O)C(OC4CC(=O)OC34)C; C[C@H]1C2 =C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2 =O)O; CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4ccc c(c4C2=O)O |
7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE; NANAOMYCIN D |
| 30913 | NON CHEMBL1234788 DB01631 ZINC000002039285 |
2 | C10 H20 O2 | InChI=1S/C10H20O2/c1-3-4- 5-6-7-8-9-10(11)12-2/h3-9 H2,1-2H3; IJXHLVMUNBOGRR-UHFFFAOYSA-N |
CCCCCCCCC(=O)OC; O=C(OC)CCCCCCCC | METHYL NONANOATE (ESTER) |
| 30914 | NOO ZINC000066157186 |
1 | C14 H23 N O2 | InChI=1S/C14H23NO2/c1-2-3 -4-5-6-10-14(17)15-12-8-7 -9-13(16)11-12/h11H,2-10H 2,1H3,(H,15,17); USNFUKCPLYEHLS-UHFFFAOYSA-N |
O=C1C=C(NC(=O)CCCCCCC)CCC1; CCCCCCCC(=O) NC1=CC(=O)CCC1 |
N-(3-oxocyclohex-1-en-1-yl)octanamide |
| 30915 | NOP DB03629 ZINC000033367564 |
1 | C8 H10 N O7 P | InChI=1S/C8H10NO7P/c1-5-8 (11)7(3-10)6(2-9(5)12)4-1 6-17(13,14)15/h2-3,11H,4H 2,1H3,(H2,13,14,15); BBWRYPTUKZTWFD-UHFFFAOYSA-N |
Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O; [ O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O; Cc 1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-] |
PYRIDOXAL-5'-PHOSPHATE-N-OXIDE |
| 30916 | NOQ DB08287 ZINC000016052009 |
1 | C17 H26 N2 O4 S | InChI=1S/C17H26N2O4S/c1-2 3-14-6-8-15(9-7-14)24(21, 22)12-13-4-2-3-5-16(13)17 (20)19-11-10-18/h6-9,13,1 6H,2-5,10-12,18H2,1H3,(H, 19,20)/t13-,16+/m0/s1; QTGNVZPFJQOWFL-XJKSGUPXSA-N |
O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC 2; COc1ccc(cc1)S(=O)(=O)CC2CCCCC2C(=O)NC CN; COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@ H]2C(=O)NCCN; COc1ccc(cc1)[S](=O)(=O)C[C H]2CCCC[CH]2C(=O)NCCN; COc1ccc(cc1)[S](= O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN |
(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE |
| 30917 | NOR DB08288 ZINC000005977113 |
0 | C13 H25 N O3 | InChI=1S/C13H25NO3/c1-9(2 )17-13(16)12(15)11(14)8-1 0-6-4-3-5-7-10/h9-12,15H, 3-8,14H2,1-2H3/t11-,12+/m 0/s1; GSYSEQUYQXPNHH-NWDGAFQWSA-N |
CC(C)OC(=O)C(C(CC1CCCCC1)N)O; CC(C)OC(=O )[CH](O)[CH](N)CC1CCCCC1; CC(C)OC(=O)[C@ @H]([C@H](CC1CCCCC1)N)O; CC(C)OC(=O)[C@H ](O)[C@@H](N)CC1CCCCC1; O=C(OC(C)C)C(O)C (N)CC1CCCCC1 |
CYCLOHEXYL-NORSTATINE |
| 30918 | NOS CHEMBL1556 DB04335 ZINC000008855117 |
65 | C10 H12 N4 O5 | InChI=1S/C10H12N4O5/c15-1 -4-6(16)7(17)10(19-4)14-3 -13-5-8(14)11-2-12-9(5)18 /h2-4,6-7,10,15-17H,1H2,( H,11,12,18)/t4-,6-,7-,10- /m1/s1; UGQMRVRMYYASKQ-KQYNXXCUSA-N |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C( =O)NC=Nc23; OC[CH]1O[CH]([CH](O)[CH]1O)n 2cnc3C(=O)NC=Nc23; c1nc2c(n1C3C(C(C(O3)C O)O)O)N=CNC2=O; c1nc2c(n1[C@H]3[C@@H]([C @@H]([C@H](O3)CO)O)O)N=CNC2=O |
INOSINE |
| 30919 | NOT ZINC000035854941 |
1 | C6 H12 N4 O2 | InChI=1S/C6H12N4O2/c7-5(6 (11)12)3-1-2-4-9-10-8/h5H ,1-4,7H2,(H,11,12)/t5-/m0 /s1; HTFFMYRVHHNNBE-YFKPBYRVSA-N |
C(CCN=[N+]=[N-])CC(C(=O)O)N; N[C@@H](CCC CN=[N+]=[N-])C(O)=O; C(CCN=[N+]=[N-])C[C @@H](C(=O)O)N; [N-]=[N+]=N/CCCCC(N)C(=O) O; N[CH](CCCCN=[N+]=[N-])C(O)=O |
6-azido-L-norleucine; AZIDONORLEUCINE |
| 30920 | NOU | 2 | C9 H13 N3 O2 | InChI=1S/C9H13N3O2/c10-7( 9(13)14)4-6-12-8-3-1-2-5- 11-8/h1-3,5,7H,4,6,10H2,( H,11,12)(H,13,14)/t7-/m0/ s1; QJIQHEBKRNDRHG-ZETCQYMHSA-N |
N[CH](CCNc1ccccn1)C(O)=O; N[C@@H](CCNc1c cccn1)C(O)=O; c1ccnc(c1)NCCC(C(=O)O)N; c 1ccnc(c1)NCC[C@@H](C(=O)O)N; O=C(O)C(N)C CNc1ccccn1 |
(2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid |
| 30921 | NOV CHEMBL36506 DB01051 ZINC000014879999 |
30 | C31 H36 N2 O11 | InChI=1S/C31H36N2O11/c1-1 4(2)7-8-16-13-17(9-11-19( 16)34)27(37)33-21-22(35)1 8-10-12-20(15(3)24(18)42- 28(21)38)41-29-23(36)25(4 3-30(32)39)26(40-6)31(4,5 )44-29/h7,9-13,23,25-26,2 9,34-36H,8H2,1-6H3,(H2,32 ,39)(H,33,37)/t23-,25+,26 -,29-/m1/s1; YJQPYGGHQPGBLI-KGSXXDOSSA-N |
Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3 )CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C (O4)(C)C)OC)OC(=O)N)O; CO[CH]1[CH](OC(N) =O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)c4ccc(O )c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C; O= C(c1ccc(O)c(c1)C\C=C(/C)C)NC3=C(O)c4ccc( OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O) C; CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H ](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c 4)C(=O)Oc3c2C)O)OC1(C)C; Cc1c(ccc2c1OC(= O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)OC4 C(C(C(C(O4)(C)C)OC)OC(=O)N)O |
NOVOBIOCIN; 4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside |
| 30922 | NOW | 4 | C21 H29 N5 O2 | InChI=1S/C21H29N5O2/c1-14 -7-6-8-15(11-14)12-16(19( 27)23-10-9-22)24-20(28)17 -13-18(21(2,3)4)25-26(17) 5/h6-9,11,13,16,22H,10,12 H2,1-5H3,(H,23,27)(H,24,2 8)/b22-9+/t16-/m0/s1; TVOGNNSPACVESK-QPCOYWRUSA-N |
[H]N=CCNC(=O)C(Cc1cccc(c1)C)NC(=O)c2cc(n n2C)C(C)(C)C; [H]/N=C\CNC(=O)[C@H](Cc1cc cc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C; Cn1nc( cc1C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)NCC=N) C(C)(C)C; Cn1nc(cc1C(=O)N[CH](Cc2cccc(C) c2)C(=O)NCC=N)C(C)(C)C; O=C(c1cc(nn1C)C( C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C |
Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide |
| 30923 | NOX DB08289 ZINC000006251339 |
2 | C18 H26 N2 O4 | InChI=1S/C18H26N2O4/c21-1 7(5-4-6-18(22)23)19-16-9- 7-15(8-10-16)11-14-20(24) 12-2-1-3-13-20/h7-10H,1-6 ,11-14H2,(H,19,21)(H,22,2 3); RKJXWOJUCCBWSC-UHFFFAOYSA-N |
c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC( =O)O; OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-]) CCCCC2)cc1; [O-][N+]2(CCc1ccc(NC(=O)CCCC (=O)O)cc1)CCCCC2 |
N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE |
| 30924 | NOY | 8 | C6 H13 N O4 | InChI=1S/C6H13NO4/c8-2-3- 1-7-6(11)5(10)4(3)9/h3-11 H,1-2H2/t3-,4-,5+,6-/m1/s 1; BHOYFRIRWXBNHP-ARQDHWQXSA-N |
C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[ CH](O)[CH]1O; OC[C@H]1CN[C@H](O)[C@@H](O )[C@@H]1O; OC1C(CNC(O)C1O)CO; C1[C@@H]([ C@H]([C@@H]([C@H](N1)O)O)O)CO |
(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL |
| 30925 | NOZ | 0 | C6 H13 N O4 | InChI=1/C6H13NO4/c8-2-3-1 -7-6(11)5(10)4(3)9/h3-11H ,1-2H2/t3-,4-,5+,6+/m1/s1; BHOYFRIRWXBNHP-ZXXMMSQZBS |
C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[ CH](O)[CH]1O; OC[C@H]1CN[C@@H](O)[C@@H]( O)[C@@H]1O; C1[C@@H]([C@H]([C@@H]([C@@H] (N1)O)O)O)CO; OC1C(CNC(O)C1O)CO |
(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol |
| 30926 | NP | 3 | C14 H18 N2 O6 | InChI=1S/C14H18N2O6/c17-1 2-6-5-10(8-11(12)16(21)22 )9-13(18)15-7-3-1-2-4-14( 19)20/h5-6,8,17H,1-4,7,9H 2,(H,15,18)(H,19,20); XAYGJFACOIKJCT-UHFFFAOYSA-N |
O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O) O; c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O) [O-])O; OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[ N+]([O-])=O |
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID |
| 30927 | NP0 | 0 | C3 H9 N O | InChI=1S/C3H9NO/c1-2-3-4- 5/h4-5H,2-3H2,1H3; OMXHKVKIKSASRV-UHFFFAOYSA-N |
CCCNO | N-hydroxypropan-1-amine; 1-nitrosopropane, bound form |
| 30928 | NP1 CHEMBL609728 DB05492 ZINC000028644947 |
1 | C10 H15 N3 O2 | InChI=1S/C10H15N3O2/c1-8- 3-4-9(12-6-2-5-11)10(7-8) 13(14)15/h3-4,7,12H,2,5-6 ,11H2,1H3; FKZUPMCBVURANR-UHFFFAOYSA-N |
Cc1ccc(c(c1)[N+](=O)[O-])NCCCN; Cc1ccc(N CCCN)c(c1)[N+]([O-])=O; [O-][N+](=O)c1cc (ccc1NCCCN)C |
N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE |
| 30929 | NP2 CHEMBL1234797 DB08291 ZINC000004045568 |
1 | C9 H13 N3 O2 | InChI=1S/C9H13N3O2/c10-6- 3-7-11-8-4-1-2-5-9(8)12(1 3)14/h1-2,4-5,11H,3,6-7,1 0H2; GVGDDEYVTBKACE-UHFFFAOYSA-N |
[O-][N+](=O)c1ccccc1NCCCN; c1ccc(c(c1)NC CCN)[N+](=O)[O-]; NCCCNc1ccccc1[N+]([O-] )=O |
N-(3-AMINOPROPYL)-2-NITROBENZENAMINE |
| 30930 | NP3 ZINC000033370746 |
0 | C9 H13 N2 O8 P | InChI=1S/C9H13N2O8P/c12-7 -3-9(10-2-1-6(4-10)11(13) 14)19-8(7)5-18-20(15,16)1 7/h1-2,4,7-9,12H,3,5H2,(H 2,15,16,17)/t7-,8+,9+/m0/ s1; RZUPPTSNKSBSQO-DJLDLDEBSA-N |
O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2 )[N+]([O-])=O; [O-][N+](=O)c1ccn(c1)C2OC (C(O)C2)COP(=O)(O)O; c1cn(cc1[N+](=O)[O- ])C2CC(C(O2)COP(=O)(O)O)O; c1cn(cc1[N+]( =O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O) =O)n2ccc(c2)[N+]([O-])=O |
1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE |
| 30931 | NP4 DB08292 ZINC000036966122 |
1 | C16 H17 Cl O5 | InChI=1S/C16H17ClO5/c17-1 5-11-8-10(18)6-4-2-1-3-5- 7-22-16(21)14(11)12(19)9- 13(15)20/h1,3,9,19-20H,2, 4-8H2/b3-1-; AQKZYZQONWDDLS-IWQZZHSRSA-N |
Oc1cc(O)c2C(=O)OCC\C=C/CCCC(=O)Cc2c1Cl; c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl; Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; c1 c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O |
(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE |
| 30932 | NP5 DB08293 ZINC000036966121 |
1 | C16 H17 Cl O5 | InChI=1S/C16H17ClO5/c17-1 5-11-8-10(18)6-4-2-1-3-5- 7-22-16(21)14(11)12(19)9- 13(15)20/h1,3,9,19-20H,2, 4-8H2/b3-1+; AQKZYZQONWDDLS-HNQUOIGGSA-N |
c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl; Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; Oc 1cc(O)c2C(=O)OCC/C=C/CCCC(=O)Cc2c1Cl; c1 c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O |
(5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE |
| 30933 | NP6 CHEMBL255476 DB07432 ZINC000034600850 |
2 | C17 H23 N3 O7 | InChI=1S/C17H23N3O7/c1-2- 6-12(22)19-13-15(24)14(23 )11(9-21)26-16(13)20-27-1 7(25)18-10-7-4-3-5-8-10/h 3-5,7-8,11,13-15,21,23-24 H,2,6,9H2,1H3,(H,18,25)(H ,19,22)/b20-16-/t11-,13-, 14-,15-/m1/s1; ITVRELFVFCOUMV-ZVZWZHPPSA-N |
CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1= NOC(=O)Nc2ccccc2; CCCC(=O)NC1C(C(C(OC1=N OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/OC(CO )C(O)C(O)C1NC(=O)CCC)Nc2ccccc2; CCCC(=O) N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O )Nc2ccccc2)CO)O)O; CCCC(=O)N[C@@H]\1[C@@ H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2c cccc2 |
[[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE |
| 30934 | NP7 CHEMBL1609857 |
4 | C18 H19 Cl N4 O3 | InChI=1S/C18H19ClN4O3/c1- 21-8-10-22(11-9-21)17-7-6 -13(23(25)26)12-16(17)20- 18(24)14-4-2-3-5-15(14)19 /h2-7,12H,8-11H2,1H3,(H,2 0,24); WOGZFCMBPXJNFI-UHFFFAOYSA-N |
Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+] ([O-])=O)c3; CN1CCN(CC1)c2ccc(cc2NC(=O)c 3ccccc3Cl)[N+](=O)[O-]; CN1CCN(CC1)c2ccc (cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O |
2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide |
| 30935 | NP8 CHEMBL3585455 ZINC000263620429 |
2 | C20 H23 N5 O2 | InChI=1S/C20H23N5O2/c1-12 -7-16-17(13-8-15(27-2)10- 22-9-13)11-23-19(18(16)25 -20(12)26)24-14-3-5-21-6- 4-14/h7-11,14,21H,3-6H2,1 -2H3,(H,23,24)(H,25,26); FPQQERRFPULCIK-UHFFFAOYSA-N |
COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=C c24)C; CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4 cc(cnc4)OC |
5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one |
| 30936 | NPA CHEMBL501822 DB08294 ZINC000003861564 |
3 | C8 H7 N O5 | InChI=1S/C8H7NO5/c10-7-2- 1-5(4-8(11)12)3-6(7)9(13) 14/h1-3,10H,4H2,(H,11,12); QBHBHOSRLDPIHG-UHFFFAOYSA-N |
OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O; c1cc(c (cc1CC(=O)O)[N+](=O)[O-])O; O=[N+]([O-]) c1cc(ccc1O)CC(=O)O |
2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID |
| 30937 | NPB CHEMBL20945 DB02797 ZINC000169743203 |
3 | C6 H6 B N O4 | InChI=1S/C6H6BNO4/c9-7(10 )5-2-1-3-6(4-5)8(11)12/h1 -4,9-10H; ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
[O-][N+](=O)c1cc(B(O)O)ccc1; OB(O)c1cccc (c1)[N+]([O-])=O; B(c1cccc(c1)[N+](=O)[O -])(O)O |
3-NITROPHENYLBORONIC ACID |
| 30938 | NPC DB08295 |
6 | C14 H17 N2 O6 | InChI=1S/C14H18N2O6/c17-1 2-6-5-10(8-11(12)16(21)22 )9-13(18)15-7-3-1-2-4-14( 19)20/h5-6,8,17H,1-4,7,9H 2,(H,15,18)(H,19,20)/p-1; XAYGJFACOIKJCT-UHFFFAOYSA-M |
c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O) [O-])O; Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1 [N+]([O-])=O; O=[N+]([O-])c1cc(ccc1O)CC( =O)NCCCCCC([O-])=O |
4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION |
| 30939 | NPD | 0 | C14 H14 O | InChI=1S/C14H14O/c1-11(10 -15)9-13-7-4-6-12-5-2-3-8 -14(12)13/h2-8,10-11H,9H2 ,1H3/t11-/m0/s1; RZTRQNRBKAAPDM-NSHDSACASA-N |
C[CH](Cc1cccc2ccccc12)C=O; C[C@@H](Cc1cc cc2c1cccc2)C=O; O=CC(C)Cc2cccc1ccccc12; CC(Cc1cccc2c1cccc2)C=O; C[C@@H](Cc1cccc2 ccccc12)C=O |
2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE |
| 30940 | NPE DB08296 |
4 | C11 H13 N O7 P | InChI=1S/C11H14NO7P/c13-1 1(14)3-1-2-8-20(17,18)19- 10-6-4-9(5-7-10)12(15)16/ h4-7H,1-3,8H2,(H,13,14)(H ,17,18)/p-1; XVVZSEXTAACTPS-UHFFFAOYSA-M |
OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([ O-])=O; c1cc(ccc1[N+](=O)[O-])OP(=O)(CCC CC(=O)O)[O-]; O=P([O-])(Oc1ccc(cc1)[N+]( [O-])=O)CCCCC(=O)O; c1cc(ccc1[N+](=O)[O- ])O[P@@](=O)(CCCCC(=O)O)[O-] |
5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID |
| 30941 | NPF DB08297 ZINC000006031723 |
8 | C12 H15 N O7 | InChI=1S/C12H15NO7/c1-6-9 (14)10(15)11(16)12(19-6)2 0-8-5-3-2-4-7(8)13(17)18/ h2-6,9-12,14-16H,1H3/t6-, 9+,10+,11-,12+/m1/s1; SWRPIVXPHLYETN-BVWHHUJWSA-N |
C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O )[CH](O)[CH]1O; C[C@@H]1[C@@H]([C@@H]([C @H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O) O; C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O) [C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C(O1) Oc2ccccc2[N+](=O)[O-])O)O)O; [O-][N+](=O )c2c(OC1OC(C(O)C(O)C1O)C)cccc2 |
2-nitrophenyl beta-D-fucopyranoside; ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE; 2-nitrophenyl 6-deoxy-beta-D-galactopyranoside; 2-nitrophenyl beta-D-fucoside; 2-nitrophenyl D-fucoside; 2-nitrophenyl fucoside |
| 30942 | NPG DB03299 |
8 | C12 H13 N O5 | InChI=1S/C12H13NO5/c14-9( 6-7-10(15)16)13-11(12(17) 18)8-4-2-1-3-5-8/h1-5,11H ,6-7H2,(H,13,14)(H,15,16) (H,17,18)/t11-/m1/s1; GQFHIYFXQQEWME-LLVKDONJSA-N |
OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1; c1cc c(cc1)C(C(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC (=O)N[C@@H](C(O)=O)c1ccccc1; O=C(O)CCC(= O)NC(C(=O)O)c1ccccc1; c1ccc(cc1)[C@H](C( =O)O)NC(=O)CCC(=O)O |
N-SUCCINYL PHENYLGLYCINE |
| 30943 | NPH DB04437 ZINC000006079992 |
0 | C17 H16 N4 O3 S | InChI=1S/C17H16N4O3S/c18- 12(17(23)24)8-25-9-14(22) 21-13-7-10-3-1-5-19-15(10 )16-11(13)4-2-6-20-16/h1- 7,12H,8-9,18H2,(H,21,22)( H,23,24)/t12-/m0/s1; ZFGIPRHDRFOMFO-LBPRGKRZSA-N |
c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C( =O)O)N; N[CH](CSCC(=O)Nc1cc2cccnc2c3nccc c13)C(O)=O; c1cc2cc(c3cccnc3c2nc1)NC(=O) CSCC(C(=O)O)N; O=C(O)C(N)CSCC(=O)Nc2cc1c ccnc1c3ncccc23; N[C@@H](CSCC(=O)Nc1cc2cc cnc2c3ncccc13)C(O)=O |
CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE |
| 30944 | NPI DB03134 ZINC000001594926 |
11 | C7 H13 N O4 | InChI=1S/C7H13NO4/c8-5(7( 11)12)3-1-2-4-6(9)10/h5H, 1-4,8H2,(H,9,10)(H,11,12) /t5-/m0/s1; JUQLUIFNNFIIKC-YFKPBYRVSA-N |
O=C(O)C(N)CCCCC(=O)O; C(CCC(=O)O)CC(C(=O )O)N; C(CCC(=O)O)C[C@@H](C(=O)O)N; N[CH] (CCCCC(O)=O)C(O)=O; N[C@@H](CCCCC(O)=O)C (O)=O |
(2S)-2-aminoheptanedioic acid; L-2-AMINOPIMELIC ACID |
| 30945 | NPJ ZINC000004282193 |
3 | C18 H25 N O13 | InChI=1S/C18H25NO13/c20-5 -9-11(22)12(23)14(25)18(3 0-9)32-16-10(6-21)31-17(1 5(26)13(16)24)29-8-3-1-7( 2-4-8)19(27)28/h1-4,9-18, 20-26H,5-6H2/t9-,10-,11-, 12+,13-,14-,15-,16-,17+,1 8-/m1/s1; IAYJZWFYUSNIPN-LTHBGAKLSA-N |
c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O C3C(C(C(C(O3)CO)O)O)O)O)O; OC[CH]1O[CH]( O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc (cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O; [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C (O)C1O)C(O)C2O)CO)cc3; c1cc(ccc1[N+](=O) [O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O 2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O 3)CO)O)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[C @H](O)[C@@H](O)[C@H](O[C@@H]2CO)Oc3ccc(c c3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1 O |
4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE; P-NITROPHENYL MALTOSIDE |
| 30946 | NPK ZINC000095920565 |
5 | C20 H23 N3 O9 S | InChI=1S/C20H23N3O9S/c1-1 0(11-6-14-15(31-9-30-14)7 -12(11)23(28)29)32-20(27) 22-13-8-33-16(18(13)21-19 (22)26)4-2-3-5-17(24)25/h 6-7,10,13,16,18H,2-5,8-9H 2,1H3,(H,21,26)(H,24,25)/ t10-,13+,16-,18+/m1/s1; MVOCLTWEOIJKEV-JTWAPGJUSA-N |
C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O )N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O ; CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N 3C4CSC(C4NC3=O)CCCCC(=O)O; C[CH](OC(=O)N 1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O)c3cc4 OCOc4cc3[N+]([O-])=O; C[C@@H](OC(=O)N1[C @H]2CS[C@H](CCCCC(O)=O)[C@H]2NC1=O)c3cc4 OCOc4cc3[N+]([O-])=O; [O-][N+](=O)c1cc4O COc4cc1C(OC(=O)N2C(=O)NC3C(SCC23)CCCCC(= O)O)C |
5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
| 30947 | NPL ZINC000006232635 |
2 | C9 H16 N2 O5 P | InChI=1S/C9H15N2O5P/c1-6- 9(12)8(3-10)7(4-11(6)2)5- 16-17(13,14)15/h4H,3,5,10 H2,1-2H3,(H2-,12,13,14,15 )/p+1; BDHMQTZHNOSTBZ-UHFFFAOYSA-O |
Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C; Cc1 c(c(c(c[n+]1C)COP(=O)(O)O)CN)O; O=P(O)(O )OCc1c[n+](c(c(O)c1CN)C)C |
N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE |
| 30948 | NPM ZINC000001045493 |
0 | C25 H20 N4 | InChI=1S/C25H20N4/c1-3-15 -26-24(5-1)18-28-22-11-7- 20(8-12-22)17-21-9-13-23( 14-10-21)29-19-25-6-2-4-1 6-27-25/h1-16,18-19H,17H2 /b28-18+,29-19+; OMZVNZJNZUGOJK-UOSOPFLXSA-N |
c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C /c4ccccn4; N(/c1ccc(cc1)Cc3ccc(/N=C/c2nc ccc2)cc3)=C\c4ncccc4; C(c1ccc(cc1)N=Cc2c cccn2)c3ccc(cc3)N=Cc4ccccn4; c1ccnc(c1)C =Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4 |
N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE; 1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE |
| 30949 | NPN DB04050 |
4 | C4 H7 N | InChI=1S/C4H7N/c1-3-4-5-2 /h3-4H2,1H3; FFDKYFGBIQQMSR-UHFFFAOYSA-N |
isocyanide; CCC[N+]#[C-] | N-PROPYL ISOCYANIDE |
| 30950 | NPO CHEMBL14130 DB04417 ZINC000034828682 |
131 | C6 H5 N O3 | InChI=1S/C6H5NO3/c8-6-3-1 -5(2-4-6)7(9)10/h1-4,8H; BTJIUGUIPKRLHP-UHFFFAOYSA-N |
Oc1ccc(cc1)[N+]([O-])=O; O=[N+]([O-])c1c cc(O)cc1; c1cc(ccc1[N+](=O)[O-])O |
P-NITROPHENOL |
| 30951 | NPP | 1 | C17 H27 N6 O5 | InChI=1S/C17H27N6O5/c1-16 (2)9-11(10-17(3,4)23(16)2 8)20-13-7-12(19-6-5-18)14 (21(24)25)8-15(13)22(26)2 7/h7-8,11,19-20H,5-6,9-10 ,18H2,1-4H3/q-1; FOFORQYTEPGQOY-UHFFFAOYSA-N |
[O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1 [N+]([O-])=O)CC2(C)C)(C)C; CC1(C)CC(CC(C )(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O) [N+]([O-])=O; CC1(CC(CC(N1[O-])(C)C)Nc2c c(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C |
N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE |
| 30952 | NPQ ZINC000000128209 |
10 | C15 H15 N O3 | InChI=1S/C15H15NO3/c1-10( 17)16-14(15(18)19)9-11-6- 7-12-4-2-3-5-13(12)8-11/h 2-8,14H,9H2,1H3,(H,16,17) (H,18,19)/t14-/m0/s1; HGTIILKZSFKZMS-AWEZNQCLSA-N |
CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N [C@@H](Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N[C H](Cc1ccc2ccccc2c1)C(O)=O; CC(=O)N[C@@H] (Cc1ccc2ccccc2c1)C(O)=O |
N-acetyl naphthylalanine |
| 30953 | NPR | 17 | C9 H13 N5 O4 | InChI=1S/C9H13N5O4/c10-9- 13-7-5(8(18)14-9)12-3(1-1 1-7)6(17)4(16)2-15/h4,6,1 5-17H,1-2H2,(H4,10,11,13, 14,18)/t4-,6-/m0/s1; YQIFAMYNGGOTFB-NJGYIYPDSA-N |
NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO) N1; C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O ; NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H]( O)CO)N1; O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O) CO)N; C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([ C@@H](CO)O)O |
2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE; 7,8-DIHYDRONEOPTERIN |
| 30954 | NPS CHEMBL154 DB00788 ZINC000000105216 |
23 | C14 H14 O3 | InChI=1S/C14H14O3/c1-9(14 (15)16)10-3-4-12-8-13(17- 2)6-5-11(12)7-10/h3-9H,1- 2H3,(H,15,16)/t9-/m0/s1; CMWTZPSULFXXJA-VIFPVBQESA-N |
CC(c1ccc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc (ccc2c1)[C@H](C)C(O)=O; O=C(O)C(c1ccc2c( c1)ccc(OC)c2)C; C[C@@H](c1ccc2cc(ccc2c1) OC)C(=O)O; COc1ccc2cc(ccc2c1)[CH](C)C(O) =O |
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; NAPROXEN |
| 30955 | NPT ZINC000001648992 |
0 | C5 H13 N | InChI=1S/C5H13N/c1-5(2,3) 4-6/h4,6H2,1-3H3; XDIAMRVROCPPBK-UHFFFAOYSA-N |
CC(C)(C)CN; NCC(C)(C)C | NEOPENTYLAMINE |
| 30956 | NPU CHEMBL1788114 ZINC000000157548 |
1 | C9 H13 N O | InChI=1S/C9H13NO/c1-7(10) 9(11)8-5-3-2-4-6-8/h2-7,9 ,11H,10H2,1H3/t7-,9+/m1/s 1; DLNKOYKMWOXYQA-APPZFPTMSA-N |
CC(C(c1ccccc1)O)N; C[CH](N)[CH](O)c1cccc c1; OC(c1ccccc1)C(N)C; C[C@H]([C@@H](c1c cccc1)O)N; C[C@@H](N)[C@H](O)c1ccccc1 |
(1R,2R)-2-amino-1-phenylpropan-1-ol |
| 30957 | NPV CHEMBL74078 DB08299 |
5 | C21 H13 N3 O4 | InChI=1S/C21H13N3O4/c25-2 1(26)14-8-6-13(7-9-14)18- 12-16-4-2-10-22-19(16)20( 23-18)15-3-1-5-17(11-15)2 4(27)28/h1-12H,(H,25,26); QTNUWEKKZHSUQO-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c 4)[N+]([O-])=O; [O-][N+](=O)c1cccc(c1)c3 nc(cc2c3nccc2)c4ccc(C(=O)O)cc4; c1cc(cc( c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc( cc4)C(=O)O |
4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid |
| 30958 | NPW ZINC000008219707 |
3 | C21 H32 N7 O18 P3 | InChI=1S/C21H32N7O18P3/c2 2-17-12-19(25-6-24-17)28( 7-26-12)21-16(45-47(34,35 )36)14(31)10(44-21)5-42-4 9(39,40)46-48(37,38)41-4- 9-13(30)15(32)20(43-9)27- 3-8(18(23)33)1-2-11(27)29 /h3,6-7,9-11,13-16,20-21, 29-32H,1-2,4-5H2,(H2,23,3 3)(H,37,38)(H,39,40)(H2,2 2,24,25)(H2,34,35,36)/t9- ,10-,11+,13-,14-,15-,16-, 20-,21-/m1/s1; SZKXTJUOKARGIY-VPHRTNKSSA-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)OP(=O)(O)O)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[P](O)(O)=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[ 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(CCC5O)C(=O)N)O)O)O)OP(=O)(O)O)N |
BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE |
| 30959 | NPX CHEMBL1618254 ZINC000000113439 |
13 | C14 H14 O3 | InChI=1S/C14H14O3/c1-9(14 (15)16)10-3-4-12-8-13(17- 2)6-5-11(12)7-10/h3-9H,1- 2H3,(H,15,16)/t9-/m1/s1; CMWTZPSULFXXJA-SECBINFHSA-N |
CC(c1ccc2cc(ccc2c1)OC)C(=O)O; C[C@H](c1c cc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc(ccc2c 1)[C@@H](C)C(O)=O; O=C(O)C(c1ccc2c(c1)cc c(OC)c2)C; COc1ccc2cc(ccc2c1)[CH](C)C(O) =O |
(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid; (R)-Naproxen |
| 30960 | NPY CHEMBL16293 ZINC000000967522 |
3 | C10 H8 | InChI=1S/C10H8/c1-2-6-10- 8-4-3-7-9(10)5-1/h1-8H; UFWIBTONFRDIAS-UHFFFAOYSA-N |
c12ccccc1cccc2; c1ccc2ccccc2c1 | NAPHTHALENE |
| 30961 | NPZ CHEMBL1234815 DB08300 ZINC000020149030 |
1 | C16 H13 N5 | InChI=1S/C16H13N5/c1-21-1 6-13(15(17)18-9-19-16)14( 20-21)12-7-6-10-4-2-3-5-1 1(10)8-12/h2-9H,1H3,(H2,1 7,18,19); UOKGZPYGRJDACN-UHFFFAOYSA-N |
Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N; n1c (c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N; Cn1nc( c2ccc3ccccc3c2)c4c(N)ncnc14 |
1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 30962 | NQ CHEMBL240963 DB04744 ZINC000004632115 |
2 | C10 H6 O3 | InChI=1S/C10H6O3/c11-8-5- 9(12)10(13)7-4-2-1-3-6(7) 8/h1-5,12H; CSFWPUWCSPOLJW-UHFFFAOYSA-N |
OC1=CC(=O)c2ccccc2C1=O; O=C2c1c(cccc1)C( =O)C(O)=C2; c1ccc2c(c1)C(=O)C=C(C2=O)O |
2-HYDROXYNAPHTHOQUINONE; 2-HYDROXY-1,4-NAPHTHOQUINONE |
| 30963 | NQ0 | 1 | C18 H23 Cl2 N3 O2 | InChI=1S/C18H23Cl2N3O2/c1 9-11-16(24)21-12-13-5-9-2 3(10-6-13)17(25)18(7-8-18 )22-15-3-1-14(20)2-4-15/h 1-4,13,22H,5-12H2,(H,21,2 4); DHBSEKKUOIXZLH-UHFFFAOYSA-N |
ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(C l)cc3; c1cc(ccc1NC2(CC2)C(=O)N3CCC(CC3)C NC(=O)CCl)Cl |
2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide |
| 30964 | NQ1 CHEMBL4520903 |
6 | C20 H15 F N2 O | InChI=1S/C20H15FN2O/c21-1 5-10-11-18-19(12-15)23(13 -14-6-2-1-3-7-14)20(24)16 -8-4-5-9-17(16)22-18/h1-1 2,22H,13H2; NKFCUHMOEKHJLB-UHFFFAOYSA-N |
c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F; c 32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O; Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1 |
10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one |
| 30965 | NQ2 CHEMBL4556087 |
1 | C25 H35 N3 O6 S | InChI=1S/C25H35N3O6S/c1-2 5(2,29)20-5-7-28(8-6-20)9 -10-34-23-13-17(11-19-15- 33-16-21(19)23)18-12-22(2 7-35(4,30)31)24(32-3)26-1 4-18/h11-14,20,27,29H,5-1 0,15-16H2,1-4H3; YTBODSVQSOILIJ-UHFFFAOYSA-N |
COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCC N4CCC(CC4)C(C)(C)O)c2; CC(C)(C1CCN(CC1)C COc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O )C)O |
~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide |
| 30966 | NQ3 | 1 | C15 H12 Cl N3 O | InChI=1S/C15H12ClN3O/c1-1 1-5-6-17-10-14(11)19-8-7- 18(15(19)20)13-4-2-3-12(1 6)9-13/h2-10H,1H3; NCRWUWJGTHEGCI-UHFFFAOYSA-N |
Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O; Cc1cc ncc1N2C=CN(C2=O)c3cccc(c3)Cl; Clc1cccc(c 1)N1C=CN(c2cnccc2C)C1=O |
(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one |
| 30967 | NQ4 | 1 | C9 H16 N3 O12 P3 | InChI=1S/C9H16N3O12P3/c10 -7-3-4-12(9(13)11-7)8-2-1 -6(22-8)5-21-26(17,18)24- 27(19,20)23-25(14,15)16/h 3-4,6,8H,1-2,5H2,(H,17,18 )(H,19,20)(H2,10,11,13)(H 2,14,15,16)/t6-,8+/m1/s1; ARLKCWCREKRROD-SVRRBLITSA-N |
NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO[P](O) (=O)O[P](O)(=O)O[P](O)(O)=O)O2; C1CC(OC1 COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC 2=O)N; C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)( O)OP(=O)(O)O)N2C=CC(=NC2=O)N; NC1=NC(=O) N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(= O)O[P](O)(O)=O)O2 |
[[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 30968 | NQ5 CHEMBL4579923 |
1 | C25 H33 N3 O8 S | InChI=1S/C25H33N3O8S/c1-3 1-5-6-37(29,30)27-23-8-18 (10-26-25(23)32-2)17-7-19 -12-33-16-22(19)24(9-17)3 6-15-21-11-28(3-4-35-21)2 0-13-34-14-20/h7-10,20-21 ,27H,3-6,11-16H2,1-2H3/t2 1-/m1/s1; ZWPJBXLFZFLGMV-OAQYLSRUSA-N |
COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c( OC[C@H]4CN(CCO4)C5COC5)c2; COCCS(=O)(=O) Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4 )C5COC5)COC3; COCCS(=O)(=O)Nc1cc(cnc1OC) c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3; COC C[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[ CH]4CN(CCO4)C5COC5)c2 |
2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide |
| 30969 | NQ6 | 2 | C9 H11 N3 O3 | InChI=1S/C9H11N3O3/c10-6( 9(14)15)5-8(13)12-7-3-1-2 -4-11-7/h1-4,6H,5,10H2,(H ,14,15)(H,11,12,13)/t6-/m 0/s1; HEYRGJOINQMKAJ-LURJTMIESA-N |
N[CH](CC(=O)Nc1ccccn1)C(O)=O; c1ccnc(c1) NC(=O)CC(C(=O)O)N; c1ccnc(c1)NC(=O)C[C@@ H](C(=O)O)N; O=C(Nc1ccccn1)CC(N)C(=O)O; N[C@@H](CC(=O)Nc1ccccn1)C(O)=O |
N-(pyridin-2-yl)-L-asparagine |
| 30970 | NQ7 | 4 | C13 H13 N3 O2 | InChI=1S/C13H13N3O2/c1-7( 11-12(17)16-13(14)18-11)9 -6-15-10-5-3-2-4-8(9)10/h 2-7,11,15H,1H3,(H2,14,16, 17)/t7-,11+/m1/s1; JMQXZRUQJGJVSC-HQJQHLMTSA-N |
C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O 3)N; C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccc cc23; c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23 ; C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3cc ccc23; CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3 )N |
(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one |
| 30971 | NQ8 ZINC000004721039 |
2 | C19 H30 O | InChI=1S/C19H30O/c1-18-9- 3-4-16(18)15-6-5-13-12-14 (20)7-11-19(13,2)17(15)8- 10-18/h13,15-17H,3-12H2,1 -2H3/t13-,15-,16-,17-,18- ,19-/m0/s1; VMNRNUNYBVFVQI-QYXZOKGRSA-N |
C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC [C@@]4([C@H]3CC2)C; C[C]12CCC[CH]1[CH]3C C[CH]4CC(=O)CC[C]4(C)[CH]3CC2; CC12CCCC1 C3CCC4CC(=O)CCC4(C3CC2)C; C[C@@]12CCC[C@ H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3 CC2 |
(5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 30972 | NQ9 | 1 | C21 H29 Cl2 N3 O3 | InChI=1S/C21H29Cl2N3O3/c2 2-13-19(27)25-14-15-7-11- 26(12-8-15)20(28)21(9-5-1 7(24)6-10-21)29-18-3-1-16 (23)2-4-18/h1-4,15,17H,5- 14,24H2,(H,25,27)/t17-,21 +; KWPFQQCLIJGRNM-UEDWGHLCSA-N |
N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC [CH](CC3)CNC(=O)CCl; c1cc(ccc1OC2(CCC(CC 2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl; N[C@H] 1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[C@@ H](CC3)CNC(=O)CCl |
N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide |
| 30973 | NQB CHEMBL2031465 ZINC000084651956 |
1 | C24 H27 N5 O2 | InChI=1S/C24H27N5O2/c1-16 -3-4-17(23(30)26-18-5-6-1 8)13-22(16)29-15-25-21-8- 7-19(14-20(21)24(29)31)28 -11-9-27(2)10-12-28/h3-4, 7-8,13-15,18H,5-6,9-12H2, 1-2H3,(H,26,30); ZMAZXHICVRYLQN-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc 4C)C(=O)NC5CC5; Cc1ccc(cc1N2C=Nc3ccc(cc3 C2=O)N4CCN(CC4)C)C(=O)NC5CC5; O=C(NC1CC1 )c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN (C)CC5 |
N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE |
| 30974 | NQC | 1 | C25 H21 Cl N2 O5 | InChI=1S/C25H21ClN2O5/c1- 14-17(23(31)22-19(29)7-4- 8-20(22)30)9-10-18-21(14) 24(32)28(25(33)27(18)2)12 -11-15-5-3-6-16(26)13-15/ h3-7,9-10,13,29H,8,11-12H 2,1-2H3; VETBCFZZZDFSIR-UHFFFAOYSA-N |
Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3cccc(c3)C l)C(=O)C4=C(C=CCC4=O)O; CN1C(=O)N(CCc2cc cc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O) C=CCC4=O |
3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione |
| 30975 | NQD ZINC000238752930 |
4 | C27 H38 O4 | InChI=1S/C27H38O4/c1-19(1 1-7-13-21(3)26(29)30)9-6- 10-20(2)12-8-15-27(5)16-1 4-23-18-24(28)17-22(4)25( 23)31-27/h9,12-13,17-18,2 8H,6-8,10-11,14-16H2,1-5H 3,(H,29,30)/b19-9+,20-12+ ,21-13-/t27-/m1/s1; QOFWRHWADNWKSU-HGPKLCRWSA-N |
C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@] 1(C)CCc2cc(O)cc(C)c2O1; C(C\C(=C\CCC2(C) CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CC\C=C(/C (=O)O)C; Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C( \C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O; CC(C CC=C(C)C(O)=O)=CCCC(C)=CCC[C]1(C)CCc2cc( O)cc(C)c2O1; Cc1cc(cc2c1OC(CC2)(C)CCC=C( C)CCC=C(C)CCC=C(C)C(=O)O)O |
(2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid; garcinoic acid |
| 30976 | NQE CHEMBL4471490 ZINC000075094274 |
1 | C15 H13 N5 O | InChI=1S/C15H13N5O/c1-19- 12-6-5-11(8-13(12)20(2)15 (19)21)18-14-10(9-16)4-3- 7-17-14/h3-8H,1-2H3,(H,17 ,18); PLONIHFWCNPQPN-UHFFFAOYSA-N |
CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N; CN1 C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12 |
2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
| 30977 | NQF CHEMBL5221942 |
8 | C23 H24 N4 O3 | InChI=1S/C23H24N4O3/c1-14 -17-5-3-4-6-19(17)30-20(1 4)13-27(2)21(28)10-7-15-1 1-16-8-9-18(24)23(29)26-2 2(16)25-12-15/h3-7,10-12, 18H,8-9,13,24H2,1-2H3,(H, 25,26,29)/b10-7+/t18-/m1/ s1; ZWQNEFFHBSGFHV-RUJXFNLJSA-N |
NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2 ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3 cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C N(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)[C@@H](CC 4)N; CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4 NC(=O)[C@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C )C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N |
(2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
| 30978 | NQG ZINC000016052252 |
1 | C28 H39 N9 O7 | InChI=1S/C28H39N9O7/c1-2- 44-23(39)14-22(38)27(43)3 6-19(9-5-11-29)25(41)35-2 0(10-6-12-33-28(31)32)26( 42)37-21(24(30)40)13-16-1 5-34-18-8-4-3-7-17(16)18/ h3-4,7-8,15,19-22,34,38H, 2,5-6,9-10,12-14H2,1H3,(H 2,30,40)(H,35,41)(H,36,43 )(H,37,42)(H4,31,32,33)/t 19-,20-,21-,22-/m0/s1; QRCIRXHNWBRPBN-CMOCDZPBSA-N |
O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(= O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N; [H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1 c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N) NC(=O)[C@H](CC(=O)OCC)O; CCOC(=O)C[CH](O )C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N) C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O; CCO C(=O)C[C@H](O)C(=O)N[C@@H](CCC#N)C(=O)N[ C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2 ccccc12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(C c1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC (=O)C(CC(=O)OCC)O |
5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE |
| 30979 | NQH CHEMBL4464160 |
1 | C10 H10 Cl N3 | InChI=1S/C10H10ClN3/c11-1 0-8(5-12)9(3-4-13-10)14-6 -7-1-2-7/h3-4,7H,1-2,6H2, (H,13,14); NLBNRXHKCJFZBY-UHFFFAOYSA-N |
c1cnc(c(c1NCC2CC2)C#N)Cl; Clc1nccc(NCC2C C2)c1C#N |
2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile |
| 30980 | NQI ZINC000016052253 |
1 | C28 H40 N8 O7 | InChI=1S/C28H40N8O7/c1-3- 8-19(35-27(42)22(37)14-23 (38)43-4-2)25(40)34-20(11 -7-12-32-28(30)31)26(41)3 6-21(24(29)39)13-16-15-33 -18-10-6-5-9-17(16)18/h3, 5-6,9-10,15,19-22,33,37H, 1,4,7-8,11-14H2,2H3,(H2,2 9,39)(H,34,40)(H,35,42)(H ,36,41)(H4,30,31,32)/t19- ,20-,21-,22+/m0/s1; ZPQHLTRUUXVSLS-MYGLTJDJSA-N |
CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[C H](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc 12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(Cc1c[n H]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C( CC(=O)OCC)O; [H]/N=C(\N)/NCCC[C@@H](C(=O )N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O) [C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O; CCO C(=O)C[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[ C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2 ccccc12)C(N)=O; O=C(OCC)CC(O)C(=O)NC(C(= O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC (=[N@H])N)C\C=C |
N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE |
| 30981 | NQJ CHEMBL4560286 |
1 | C23 H20 Cl F3 N2 O5 S2 | InChI=1S/C23H20ClF3N2O5S2 /c1-13-10-19(20(30)28-18( 21(31)34-2)11-14-6-4-3-5- 7-14)35-22(13)36(32,33)29 -17-12-15(23(25,26)27)8-9 -16(17)24/h3-10,12,18,29H ,11H2,1-2H3,(H,28,30)/t18 -/m1/s1; YYXGZAWTALWJLJ-GOSISDBHSA-N |
Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F) C(=O)N[C@H](Cc3ccccc3)C(=O)OC; COC(=O)[C H](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(= O)Nc3cc(ccc3Cl)C(F)(F)F; COC(C(Cc1ccccc1 )NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)( =O)=O)s3)=O)=O; Cc1cc(sc1S(=O)(=O)Nc2cc( ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)O C; COC(=O)[C@@H](Cc1ccccc1)NC(=O)c2sc(c( C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F |
methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate |
| 30982 | NQK CHEMBL4542555 |
1 | C15 H12 Cl N5 O | InChI=1S/C15H12ClN5O/c1-2 0-12-4-3-9(7-13(12)21(2)1 5(20)22)19-11-5-6-18-14(1 6)10(11)8-17/h3-7H,1-2H3, (H,18,19); OTSZAULBNXSOMT-UHFFFAOYSA-N |
CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12; CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl |
2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
| 30983 | NQL | 1 | C20 H29 Cl N4 O2 | InChI=1S/C20H29ClN4O2/c21 -14-18(26)23-15-16-6-12-2 5(13-7-16)19(27)20(8-10-2 2-11-9-20)24-17-4-2-1-3-5 -17/h1-5,16,22,24H,6-15H2 ,(H,23,26); XANXFUXIXRLBSI-UHFFFAOYSA-N |
c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC( =O)CCl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNC C2)Nc3ccccc3 |
2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide |
| 30984 | NQM | 4 | C7 H6 O7 | InChI=1S/C7H6O7/c8-4(7(13 )14)1-3(6(11)12)2-5(9)10/ h2H,1H2,(H,9,10)(H,11,12) (H,13,14)/b3-2+; ODTDYYZJDQGKQT-NSCUHMNNSA-N |
OC(=O)C=C(CC(=O)C(O)=O)C(O)=O; O=C(C(CC( =C/C(O)=O)\C(O)=O)=O)O; C(/C(=C\C(=O)O)/ C(=O)O)C(=O)C(=O)O; C(C(=CC(=O)O)C(=O)O) C(=O)C(=O)O; OC(=O)\C=C(CC(=O)C(O)=O)\C( O)=O |
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid |
| 30985 | NQN CHEMBL4550751 |
1 | C18 H18 Cl N5 O2 | InChI=1S/C18H18ClN5O2/c1- 11(25)6-8-24-16-9-12(3-4- 15(16)23(2)18(24)26)22-14 -5-7-21-17(19)13(14)10-20 /h3-5,7,9,11,25H,6,8H2,1- 2H3,(H,21,22)/t11-/m1/s1; YEBUIPXITBJLFQ-LLVKDONJSA-N |
CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)C l)O; C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc( Cl)c3C#N)cc12; C[C@H](CCN1c2cc(ccc2N(C1= O)C)Nc3ccnc(c3C#N)Cl)O; C[C@@H](O)CCN1C( =O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
| 30986 | NQO | 1 | C13 H12 Cl N3 O | InChI=1S/C13H12ClN3O/c1-9 -5-6-15-17-13(9)16-12(18) 8-10-3-2-4-11(14)7-10/h2- 7H,8H2,1H3,(H,16,17,18); ZNGNXXLXHHJCCJ-UHFFFAOYSA-N |
Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2; Cc1ccnnc1N C(=O)Cc2cccc(c2)Cl; Cc1ccnnc1NC(=O)Cc1cc cc(Cl)c1 |
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide |
| 30987 | NQP CHEMBL4474288 |
2 | C31 H42 N6 O4 | InChI=1S/C31H42N6O4/c1-5- 6-15-36-26-9-10-28(34-29( 26)37(21(2)31(36)39)24-13 -18-41-19-14-24)33-25-8-7 -22(20-27(25)40-4)30(38)3 2-23-11-16-35(3)17-12-23/ h5,7-10,20-21,23-24H,1,6, 11-19H2,2-4H3,(H,32,38)(H ,33,34)/t21-/m1/s1; YEZKKIMJJAQTOO-OAQYLSRUSA-N |
CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4 OC)C(=O)NC5CCN(CC5)C)CCC=C; C[C@@H]1C(=O )N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O )NC5CCN(CC5)C)CCC=C; [C@H](=C)CCN5c3ccc( Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CC OCC4)C(C5=O)C; COc1cc(ccc1Nc2ccc3N(CCC=C )C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN (C)CC5; COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[ C@@H](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC 5 |
4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
| 30988 | NQQ CHEMBL4572689 |
1 | C19 H20 Cl N5 O2 | InChI=1S/C19H20ClN5O2/c1- 19(2,27)7-9-25-16-10-12(4 -5-15(16)24(3)18(25)26)23 -14-6-8-22-17(20)13(14)11 -21/h4-6,8,10,27H,7,9H2,1 -3H3,(H,22,23); MSNMXJGUICGVME-UHFFFAOYSA-N |
CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C# N)Cl)O; CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccn c(Cl)c3C#N)ccc12 |
2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
| 30989 | NQR ZINC000004902118 |
1 | C18 H18 N2 O2 | InChI=1S/C18H18N2O2/c1-12 -14-11-16(18(21)20-9-5-2- 6-10-20)22-17(14)13-7-3-4 -8-15(13)19-12/h3-4,7-8,1 1H,2,5-6,9-10H2,1H3; CKBASHMUSIQRHS-UHFFFAOYSA-N |
Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1; Cc1 c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4; Cc1nc2 ccccc2c3oc(cc13)C(=O)N4CCCCC4 |
(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone |
| 30990 | NQS CHEMBL4475735 ZINC000001729754 |
2 | C12 H10 O3 S | InChI=1S/C12H10O3S/c13-5- 6-16-11-7-10(14)8-3-1-2-4 -9(8)12(11)15/h1-4,7,13H, 5-6H2; IBLOZMPODBITIK-UHFFFAOYSA-N |
O=C2c1c(cccc1)C(=O)C(SCCO)=C2; c1ccc2c(c 1)C(=O)C=C(C2=O)SCCO; OCCSC1=CC(=O)c2ccc cc2C1=O |
2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione |
| 30991 | NQT CHEMBL4451702 |
1 | C22 H26 Cl N7 O2 | InChI=1S/C22H26ClN7O2/c1- 13-10-14(2)30(27-13)20-24 -12-16(23)19(26-20)25-15- 6-7-17-18(11-15)29(21(31) 28(17)5)9-8-22(3,4)32/h6- 7,10-12,32H,8-9H2,1-5H3,( H,24,25,26); UQSUWLFWPLYJIQ-UHFFFAOYSA-N |
CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n 4nc(C)cc4C)ccc12; Cc1cc(n(n1)c2ncc(c(n2) Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C |
5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 30992 | NQU | 1 | C21 H28 Cl2 N2 O3 | InChI=1S/C21H28Cl2N2O3/c2 2-14-19(26)24-15-16-8-12- 25(13-9-16)20(27)21(10-2- 1-3-11-21)28-18-6-4-17(23 )5-7-18/h4-7,16H,1-3,8-15 H2,(H,24,26); DPPVFRFCFQIPRQ-UHFFFAOYSA-N |
c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(= O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC CCC2)Oc3ccc(Cl)cc3 |
2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
| 30993 | NQV CHEMBL4539891 |
1 | C30 H42 N6 O3 | InChI=1S/C30H42N6O3/c1-19 (2)39-26-18-21(29(37)31-2 2-14-16-34(4)17-15-22)10- 11-24(26)32-27-13-12-25-2 8(33-27)36(23-8-6-7-9-23) 20(3)30(38)35(25)5/h10-13 ,18-20,22-23H,6-9,14-17H2 ,1-5H3,(H,31,37)(H,32,33) /t20-/m1/s1; AGCMTUNUCHFYSQ-HXUWFJFHSA-N |
CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C) N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5; C[C@@H ]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC (C)C)C(=O)NC5CCN(CC5)C)C; CC1C(=O)N(c2cc c(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5 CCN(CC5)C)C; CC(C)Oc1cc(ccc1Nc2ccc3N(C)C (=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C) CC5; c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC (C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O |
4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
| 30994 | NQW CHEMBL4476234 |
1 | C23 H31 Cl N6 O3 | InChI=1S/C23H31ClN6O3/c1- 14-12-29(13-15(2)33-14)21 -25-11-17(24)20(27-21)26- 16-6-7-18-19(10-16)30(22( 31)28(18)5)9-8-23(3,4)32/ h6-7,10-11,14-15,32H,8-9, 12-13H2,1-5H3,(H,25,26,27 )/t14-,15+; JPAZTMKUVSFPAZ-GASCZTMLSA-N |
C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3cc c4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl; CC1CN(C C(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C )CCC(C)(C)O)Cl; C[CH]1CN(C[CH](C)O1)c2nc c(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3 )n2; C[C@@H]1CN(C[C@H](C)O1)c2ncc(Cl)c(N c3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2 |
5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 30995 | NQX | 1 | C23 H28 N4 O5 | InChI=1S/C23H28N4O5/c1-11 -10-12(2)25-22(24-11)27-2 1(31)18-13(3)14(8-9-15(18 )26(4)23(27)32)20(30)19-1 6(28)6-5-7-17(19)29/h8-10 ,16-17,19-20,28-30H,5-7H2 ,1-4H3/t16-,17-,20+/m1/s1; MLZUNIVRBBBYRG-HLIPFELVSA-N |
CN1C(=O)N(C(=O)c2c(C)c(ccc12)[C@H](O)C3[ C@H](O)CCC[C@H]3O)c4nc(C)cc(C)n4; Cc1cc( nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CC CC4O)O)O)C)C; Cc1cc(nc(n1)N2C(=O)c3c(c(c cc3N(C2=O)C)[C@@H](C4[C@@H](CCC[C@H]4O)O )O)C)C; CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH ](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4 |
6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione |
| 30996 | NQY CHEMBL4573352 |
1 | C26 H34 N6 O3 | InChI=1S/C26H34N6O3/c1-30 -14-11-18(12-15-30)27-25( 33)17-7-8-19(22(16-17)35- 3)28-23-10-9-20-24(29-23) 32-13-5-4-6-21(32)26(34)3 1(20)2/h7-10,16,18,21H,4- 6,11-15H2,1-3H3,(H,27,33) (H,28,29)/t21-/m1/s1; AVGGLPRMVXANOV-OAQYLSRUSA-N |
CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c( n3)N5CCCCC5C(=O)N4C; CN1CCC(CC1)NC(=O)c2 ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(= O)N4C; COc1cc(ccc1Nc2ccc3N(C)C(=O)[C@H]4 CCCCN4c3n2)C(=O)NC5CCN(C)CC5; COc1cc(ccc 1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC 5CCN(C)CC5; c2c1N(C(=O)C5CCCCN5c1nc(c2)N c4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C |
3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
| 30997 | NQZ CHEMBL4445645 |
1 | C24 H31 Cl F2 N6 O2 | InChI=1S/C24H31ClF2N6O2/c 1-14-12-32(13-15(2)24(14, 26)27)21-28-11-17(25)20(3 0-21)29-16-6-7-18-19(10-1 6)33(22(34)31(18)5)9-8-23 (3,4)35/h6-7,10-11,14-15, 35H,8-9,12-13H2,1-5H3,(H, 28,29,30)/t14-,15+; VFNPUAOAEFMXQI-GASCZTMLSA-N |
C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3cc c4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2; CC1CN(C C(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O )N4C)CCC(C)(C)O)Cl; C[C@@H]1CN(C[C@H](C) C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC( C)(C)O)c4c3)n2; C[C@@H]1CN(C[C@@H](C1(F) F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CC C(C)(C)O)Cl |
5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 30998 | NR0 | 0 | C13 H17 N7 O4 | InChI=1S/C13H17N7O4/c14-7 -3-24-4-8(7)20(2-10(22)23 )9(21)1-19-6-18-11-12(15) 16-5-17-13(11)19/h5-8H,1- 4,14H2,(H,22,23)(H2,15,16 ,17)/t7-,8-/m0/s1; NDSRPVXXSCHUPN-YUMQZZPRSA-N |
c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC 3N)N; c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O) [C@H]3COC[C@@H]3N)N; N[CH]1COC[CH]1N(CC( O)=O)C(=O)Cn2cnc3c(N)ncnc23; N[C@H]1COC[ C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23; OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21 |
N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide |
| 30999 | NR1 | 4 | C5 H13 N O5 P | InChI=1S/C5H12NO5P/c7-5-2 -6-1-4(5)3-11-12(8,9)10/h 4-7H,1-3H2,(H2,8,9,10)/p+ 1/t4-,5+/m1/s1; DZBMWXHITVAZTC-UHNVWZDZSA-O |
P(O)(O)(=O)OCC1C(C[NH2+]C1)O; O[CH]1C[NH 2+]C[CH]1CO[P](O)(O)=O; C1C(C(C[NH2+]1)O )COP(=O)(O)O; C1[C@@H]([C@H](C[NH2+]1)O) COP(=O)(O)O; O[C@H]1C[NH2+]C[C@@H]1CO[P] (O)(O)=O |
(3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium |
| 31000 | NR2 CHEMBL78755 DB08301 ZINC000026474822 |
2 | C14 H15 N3 O5 S2 | InChI=1S/C14H15N3O5S2/c1- 10-2-6-13(7-3-10)24(21,22 )17-14(18)16-11-4-8-12(9- 5-11)23(15,19)20/h2-9H,1H 3,(H2,15,19,20)(H2,16,17, 18); HDCXQTPVTAIPNZ-UHFFFAOYSA-N |
O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(= O)(=O)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2 ccc(cc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(= O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N |
N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE |