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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 32601 |  LTL DB03711 |
1 | C8 H16 O2 | InChI=1S/C8H16O2/c1-4-7(9 )5-6-8(2,3)10/h10H,4-6H2, 1-3H3; FGPMBONEKHYAHO-UHFFFAOYSA-N |
CCC(=O)CCC(C)(C)O; O=C(CC)CCC(O)(C)C | 6-HYDROXY-6-METHYL-HEPTAN-3-ONE |
| 32602 |  LTM ZINC000095920947 |
2 | C8 H14 N2 O5 | InChI=1S/C8H14N2O5/c1-3(1 2)9-5-7(14)6(13)4(2-11)10 -8(5)15/h4-7,11,13-14H,2H 2,1H3,(H,9,12)(H,10,15)/t 4-,5-,6-,7-/m1/s1; DLGBPZFGIMUEIM-DBRKOABJSA-N |
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)C O)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO )NC1=O; CC(=O)NC1C(C(C(NC1=O)CO)O)O; O=C 1NC(CO)C(O)C(O)C1NC(=O)C; CC(=O)N[C@@H]1 [C@@H](O)[C@H](O)[C@@H](CO)NC1=O |
N-ACETYL GLUCONOLACTAM |
| 32603 |  LTN CHEMBL227123 DB04537 ZINC000000057505 |
7 | C11 H13 N3 O | InChI=1S/C11H13N3O/c12-9( 11(13)15)5-7-6-14-10-4-2- 1-3-8(7)10/h1-4,6,9,14H,5 ,12H2,(H2,13,15)/t9-/m0/s 1; JLSKPBDKNIXMBS-VIFPVBQESA-N |
c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N; O=C(N)C (N)Cc2c1ccccc1nc2; N[C@@H](Cc1c[nH]c2ccc cc12)C(N)=O; N[CH](Cc1c[nH]c2ccccc12)C(N )=O; c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N) N |
L-TRYPTOPHANAMIDE |
| 32604 |  LTO CHEMBL5207713 |
1 | C18 H23 N3 O2 | InChI=1S/C18H23N3O2/c22-1 8(20-23)6-5-14-7-10-21(11 -8-14)12-9-15-13-19-17-4- 2-1-3-16(15)17/h1-6,13-14 ,19,23H,7-12H2,(H,20,22)/ b6-5+; ULPMTANVOCUWOD-AATRIKPKSA-N |
c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O) NO; ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23 )CC1; c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C =C/C(=O)NO; ONC(=O)\C=C\C1CCN(CC1)CCc2c[ nH]c3ccccc23; ONC(=O)C=CC1CCN(CC1)CCc2c[ nH]c3ccccc23 |
(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide |
| 32605 |  LTP ZINC000013435046 |
2 | C9 H15 N3 O10 P2 | InChI=1S/C9H15N3O10P2/c10 -7-1-2-12(9(14)11-7)8-3-5 (13)6(21-8)4-20-24(18,19) 22-23(15,16)17/h1-2,5-6,8 ,13H,3-4H2,(H,18,19)(H2,1 0,11,14)(H2,15,16,17)/t5- ,6+,8+/m1/s1; FTDHDKPUHBLBTL-CHKWXVPMSA-N |
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O )(O)O)O; C1[C@H]([C@@H](O[C@@H]1N2C=CC(= NC2=O)N)COP(=O)(O)OP(=O)(O)O)O; NC1=NC(= O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO[P](O) (=O)O[P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[C H]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O )O2; O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C (N)C=C1)CC2O |
4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one |
| 32606 |  LTQ CHEMBL3770935 ZINC000263621088 |
2 | C16 H21 N5 O4 S2 | InChI=1S/C16H21N5O4S2/c1- 12-8-13(9-17)2-3-14(12)19 -4-6-20(7-5-19)27(24,25)2 1-11-26-10-15(21)16(22)18 -23/h2-3,8,15,23H,4-7,10- 11H2,1H3,(H,18,22)/t15-/m 1/s1; UGVOWFLXYXPRQV-OAHLLOKOSA-N |
Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O )NO)C#N; O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c 3c(cc(cc3)C#N)C)=O; Cc1cc(ccc1N2CCN(CC2) [S](=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N; Cc1c c(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(= O)NO)C#N; Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N 3CSC[C@@H]3C(=O)NO)C#N |
(4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide |
| 32607 |  LTR CHEMBL54976 DB00150 |
0 | C11 H12 N2 O2 | InChI=1/C11H12N2O2/c12-9( 11(14)15)5-7-6-13-10-4-2- 1-3-8(7)10/h1-4,6,9,13H,5 ,12H2,(H,14,15)/t9-/m0/s1 /f/h14H; QIVBCDIJIAJPQS-FKOBDKTLDJ |
O=C(O)C(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c [nH]2)C[C@@H](C(=O)O)N; c1ccc2c(c1)c(c[n H]2)CC(C(=O)O)N; N[CH](Cc1c[nH]c2ccccc12 )C(O)=O; N[C@@H](Cc1c[nH]c2ccccc12)C(O)= O |
L-TRYPTOPHAN |
| 32608 |  LTS CHEMBL3098609 ZINC000095920724 |
2 | C21 H16 F3 N5 O3 S | InChI=1S/C21H16F3N5O3S/c2 2-21(23,24)32-17-2-1-3-19 (12-17)33(30,31)18-6-4-15 (5-7-18)13-27-20(28-14-25 )29-16-8-10-26-11-9-16/h1 -12H,13H2,(H2,26,27,28,29 ); OSHZYJJYBZWSLR-UHFFFAOYSA-N |
FC(F)(F)Oc1cccc(c1)[S](=O)(=O)c2ccc(CNC( Nc3ccncc3)=NC#N)cc2; c1cc(cc(c1)S(=O)(=O )c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)( F)F; FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(c c2)CN/C(=N\C#N)Nc3ccncc3; c1cc(cc(c1)S(= O)(=O)c2ccc(cc2)CNC(=NC#N)Nc3ccncc3)OC(F )(F)F |
2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine |
| 32609 |  LTT CHEMBL359164 DB04961 ZINC000001642845 |
2 | C8 H11 N3 O4 | InChI=1S/C8H11N3O4/c9-5-1 -2-11(8(13)10-5)6-4-14-7( 3-12)15-6/h1-2,6-7,12H,3- 4H2,(H2,9,10,13)/t6-,7-/m 0/s1; RXRGZNYSEHTMHC-BQBZGAKWSA-N |
C1C(OC(O1)CO)N2C=CC(=NC2=O)N; O=C1N=C(N) C=CN1C2OC(OC2)CO; C1[C@H](O[C@H](O1)CO)N 2C=CC(=NC2=O)N; NC1=NC(=O)N(C=C1)[C@@H]2 CO[C@H](CO)O2; NC1=NC(=O)N(C=C1)[CH]2CO[ CH](CO)O2 |
4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE; (-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE; TROXACITABINE; TROXATYL |
| 32610 |  LTU |
0 | C16 H20 N2 O4 | InChI=1S/C16H20N2O4/c1-16 (2,12-8-22-12)18-7-10(14( 19)13(17)15(20)21)9-5-3-4 -6-11(9)18/h3-7,12-14,19H ,8,17H2,1-2H3,(H,20,21)/t 12-,13+,14-/m1/s1; RPWCRDPTKUYOFA-HZSPNIEDSA-N |
CC(C)([C@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@ @H](C(=O)O)N)O; CC(C)([CH]1CO1)n2cc([CH] (O)[CH](N)C(O)=O)c3ccccc23; CC(C)([C@H]1 CO1)n2cc([C@@H](O)[C@H](N)C(O)=O)c3ccccc 23; CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O) O)N)O |
2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid; (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid |
| 32611 |  LTV |
30 | C46 H90 O5 | InChI=1S/C46H90O5/c1-3-5- 7-9-11-13-15-17-19-20-21- 22-23-24-25-27-29-31-33-3 5-37-39-41-46(49)51-43-44 (47)42-50-45(48)40-38-36- 34-32-30-28-26-18-16-14-1 2-10-8-6-4-2/h44,47H,3-43 H2,1-2H3/t44-/m0/s1; XHUXLZVWHLYNKB-SJARJILFSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC (=O)CCCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCC CCCCCCCCC; O=C(OCC(O)COC(=O)CCCCCCCCCCCC CCCCC)CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCC CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC CCCCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCCC(= O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC |
2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate |
| 32612 |  LTW |
1 | C31 H31 N5 O6 | InChI=1S/C31H31N5O6/c1-20 (37)21-5-6-27(42-11-9-36- 16-31(17-36)18-40-19-31)2 6(15-21)33-29(38)23-12-22 (25-7-8-35(2)34-25)13-24( 14-23)32-30(39)28-4-3-10- 41-28/h3-8,10,12-15H,9,11 ,16-19H2,1-2H3,(H,32,39)( H,33,38); VJMNNCAJWFIBNF-UHFFFAOYSA-N |
CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O) c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6; Cn1 ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4 cc(ccc4OCCN5CC6(COC6)C5)C(C)=O |
~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide |
| 32613 |  LTX CHEMBL451509 DB08855 ZINC000004095814 |
15 | C30 H47 N3 O9 S | InChI=1S/C30H47N3O9S/c1-2 -3-4-5-6-7-8-9-10-11-12-1 3-16-25(24(34)15-14-17-27 (36)37)43-21-23(29(40)32- 20-28(38)39)33-26(35)19-1 8-22(31)30(41)42/h6-7,9-1 3,16,22-25,34H,2-5,8,14-1 5,17-21,31H2,1H3,(H,32,40 )(H,33,35)(H,36,37)(H,38, 39)(H,41,42)/b7-6-,10-9-, 12-11+,16-13+/t22-,23-,24 -,25+/m0/s1; GWNVDXQDILPJIG-NXOLIXFESA-N |
CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC (=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[ C@@H](C(=O)O)N; CCCCC\C=C/C\C=C/C=C/C=C/ [C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C( =O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCCC=C CC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O )=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O; CCCC CC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)N CC(=O)O)NC(=O)CCC(C(=O)O)N |
(5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid; Leukotriene C4 |
| 32614 |  LTY CHEMBL3950656 |
4 | C22 H23 N7 O | InChI=1S/C22H23N7O/c23-13 -15-4-9-28(10-5-15)20-12- 18-16(3-1-6-24-18)11-19(2 0)27-22(30)17-14-26-29-8- 2-7-25-21(17)29/h1-3,6-8, 11-12,14-15H,4-5,9-10,13, 23H2,(H,27,30); BFBOXYLGKAPSFY-UHFFFAOYSA-N |
NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cc cnc45; c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC (CC3)CN)cc5c4cccn5; c1cc2cc(c(cc2nc1)N3C CC(CC3)CN)NC(=O)c4cnn5c4nccc5 |
N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| 32615 |  LTZ CHEMBL2398242 ZINC000096908704 |
2 | C36 H43 Cl2 N5 O3 S | InChI=1S/C36H43Cl2N5O3S/c 1-7-28-16-17-29(33(45)40- 18-19-41(23(5)44)22(4)20- 40)42(28)34(46)31-30(21(2 )3)43-32(24-8-12-26(37)13 -9-24)36(6,39-35(43)47-31 )25-10-14-27(38)15-11-25/ h8-15,21-22,28-29,32H,7,1 6-20H2,1-6H3/t22-,28-,29+ ,32-,36+/m1/s1; NYMONQQQYOURJF-GTVZXTIFSA-N |
CCC1CCC(N1C(=O)C2=C(N3C(C(N=C3S2)(C)c4cc c(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN(C (C6)C)C(=O)C; CC[C@@H]1CC[C@H](N1C(=O)C2 =C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl) c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6) C)C(=O)C; CC[CH]1CC[CH](N1C(=O)C2=C(C(C) C)N3[CH](c4ccc(Cl)cc4)[C](C)(N=C3S2)c5cc c(Cl)cc5)C(=O)N6CCN([CH](C)C6)C(C)=O; CC [C@@H]1CC[C@H](N1C(=O)C2=C(C(C)C)N3[C@H] (c4ccc(Cl)cc4)[C@@](C)(N=C3S2)c5ccc(Cl)c c5)C(=O)N6CCN([C@H](C)C6)C(C)=O; O=C(N6C (C)CN(C(=O)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)c c1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)C(CC)CC5 )CC6)C |
(5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole |
| 32616 |  LU |
1 | Lu | InChI=1S/Lu/q+3; PSDMOPINLDTFSZ-UHFFFAOYSA-N |
[Lu+3] | LUTETIUM (III) ION; LU |
| 32617 |  LU0 |
2 | C6 H14 N2 O4 S | InChI=1S/C6H14N2O4S/c1-4( 2)3-5(6(9)10)8-13(7,11)12 /h4-5,8H,3H2,1-2H3,(H,9,1 0)(H2,7,11,12)/t5-/m0/s1; WYJHWWUFTZEBIK-YFKPBYRVSA-N |
CC(C)C[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C[ C@@H](C(=O)O)NS(=O)(=O)N; CC(C)CC(C(=O)O )NS(=O)(=O)N; CC(C)C[C@H](N[S](N)(=O)=O) C(O)=O |
Sulphamoil Leucine |
| 32618 |  LU1 ZINC000098209131 |
1 | C26 H24 F N5 O5 | InChI=1S/C26H24FN5O5/c1-1 4-22-24(30-12-29-14)32(13 -31-22)26-21(34)11-18(37- 26)3-2-8-28-25(36)19-9-16 (10-20(33)23(19)35)15-4-6 -17(27)7-5-15/h2-7,9-10,1 2-13,18,21,26,33-35H,8,11 H2,1H3,(H,28,36)/b3-2+/t1 8-,21-,26-/m1/s1; NFOSSDOJFGCEOO-DEAZYUCPSA-N |
Cc1ncnc2n(cnc12)[C@@H]3O[C@@H](C[C@H]3O) \C=C\CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5; C c1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3) /C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O; Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/ C5OC(n4cnc3c(ncnc34)C)C(O)C5; Cc1c2c(ncn 1)n(cn2)C3C(CC(O3)C=CCNC(=O)c4cc(cc(c4O) O)c5ccc(cc5)F)O; Cc1ncnc2n(cnc12)[CH]3O[ CH](C[CH]3O)C=CCNC(=O)c4cc(cc(O)c4O)c5cc c(F)cc5 |
4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide |
| 32619 |  LU2 CHEMBL151 DB15584 ZINC000018185774 |
26 | C15 H10 O6 | InChI=1S/C15H10O6/c16-8-4 -11(19)15-12(20)6-13(21-1 4(15)5-8)7-1-2-9(17)10(18 )3-7/h1-6,16-19H; IQPNAANSBPBGFQ-UHFFFAOYSA-N |
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3; c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O ; O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3 O |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one; Luteolin |
| 32620 |  LU3 ZINC000002584866 |
0 | C4 H6 N2 S | InChI=1S/C4H6N2S/c5-3-4-6 -1-2-7-4/h1-2H,3,5H2; JOZSYOPADROCMP-UHFFFAOYSA-N |
c1csc(n1)CN; NCc1sccn1 | 1,3-thiazol-2-ylmethanamine |
| 32621 |  LU5 |
4 | C23 H19 N5 O4 | InChI=1S/C23H19N5O4/c1-13 -9-18-19(5-3-6-20(18)28-2 7-13)26-22(30)15-10-16(24 -14(2)29)12-17(11-15)25-2 3(31)21-7-4-8-32-21/h3-12 H,1-2H3,(H,24,29)(H,25,31 )(H,26,30); KNUFZYGMIQUYJP-UHFFFAOYSA-N |
CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3 cccc4nnc(C)cc34; Cc1cc2c(cccc2NC(=O)c3cc (cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1 |
~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide |
| 32622 |  LU7 CHEMBL1098240 ZINC000003934756 |
3 | C29 H52 N10 O6 | InChI=1S/C29H52N10O6/c30- 22(7-4-15-38-29(32)33)27( 44)36-16-6-13-35-12-5-11- 34-10-2-1-3-14-37-28(45)2 3(19-25(31)42)39-26(43)17 -20-8-9-21(40)18-24(20)41 /h8-9,18,22-23,34-35,40-4 1H,1-7,10-17,19,30H2,(H2, 31,42)(H,36,44)(H,37,45)( H,39,43)(H4,32,33,38)/t22 -,23-/m0/s1; FTNICLJXPYLDAH-GOTSBHOMSA-N |
[H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCC CCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O) O)N; N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCC CNC(=O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O; c1cc(c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCC CCCNCCCNCCCNC(=O)C(CCCNC(=N)N)N; N[C@@H] (CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@ H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O; Oc1cc(O) ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCC NC(=O)C(N)CCCN\C(=N)N |
N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide; Argiotoxin 636 |
| 32623 |  LU8 CHEMBL4633241 |
174 | C27 H32 N2 O3 | InChI=1S/C27H32N2O3/c1-18 -23(21-8-6-19(7-9-21)20-1 0-12-29(2)13-11-20)16-28- 17-24(18)22-14-25(30-3)27 (32-5)26(15-22)31-4/h6-9, 14-17,20H,10-13H2,1-5H3; CNEAZWBYXISKKK-UHFFFAOYSA-N |
Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3 )C4CCN(CC4)C; COc1cc(cc(OC)c1OC)c2cncc(c 2C)c3ccc(cc3)C4CCN(C)CC4 |
4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
| 32624 |  LU9 |
2 | C93 H164 N2 O39 P2 | InChI=1S/C93H168N2O39P2/c 1-6-11-16-21-26-30-34-38- 43-48-64(99)55-77(108)129 -86-78(94-72(103)54-63(98 )47-42-37-33-29-24-19-14- 9-4)89(134-136(119,120)12 1)126-70(82(86)111)61-123 -88-79(95-73(104)56-65(49 -44-39-35-31-27-22-17-12- 7-2)125-75(106)51-46-41-3 6-32-28-23-18-13-8-3)87(1 28-76(107)52-53-122-74(10 5)50-45-40-25-20-15-10-5) 85(133-135(116,117)118)71 (127-88)62-124-92(90(112) 113)58-69(81(110)84(131-9 2)68(102)60-97)130-93(91( 114)115)57-66(100)80(109) 83(132-93)67(101)59-96/h6 3-71,78-89,96-102,109-111 H,6-62H2,1-5H3,(H,94,103) (H,95,104)(H,112,113)(H,1 14,115)(H2,116,117,118)(H 2,119,120,121)/p-4/t63-,6 4+,65-,66-,67-,68-,69-,70 -,71-,78-,79-,80-,81-,82- ,83-,84-,85-,86-,87-,88-, 89-,92-,93-/m1/s1; VKIJVPHKEVBYMR-HZMIYFLPSA-J |
CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C (C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C (C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)([O -])[O-])OC(=O)CCOC(=O)CCCCCCCC)NC(=O)CC( CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OP(=O)([O- ])[O-])NC(=O)CC(CCCCCCCCCC)O)O; CCCCCCCC CCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](C O[C@@H]2O[C@H](CO[C@@]3(C[C@@H](O[C@@]4( C[C@@H](O)[C@@H](O)[C@H](O4)[C@H](O)CO)C (O)=O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)= O)[C@@H](O[P]([O-])([O-])=O)[C@H](OC(=O) CCOC(=O)CCCCCCCC)[C@H]2NC(=O)C[C@@H](CCC CCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](O[P]([ O-])([O-])=O)[C@@H]1NC(=O)C[C@H](O)CCCCC CCCCC; CCCCCCCCCCC[C@@H](CC(=O)O[C@@H]1[ C@H]([C@H](O[C@@H]([C@H]1O)CO[C@H]2[C@@H ]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]( [C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C @H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O) O)C(=O)O)OP(=O)([O-])[O-])OC(=O)CCOC(=O) CCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O )CCCCCCCCCCC)OP(=O)([O-])[O-])NC(=O)C[C@ @H](CCCCCCCCCC)O)O; CCCCCCCCCCC[CH](O)CC (=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C] 3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH ](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C (O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O )CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCC CCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-] )([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC |
[(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate; LIPOPOLYSACCHARIDE |
| 32625 |  LUB |
1 | C9 H14 O4 | InChI=1S/C9H14O4/c1-2-3-7 -8(9(11)12)6(4-10)5-13-7/ h7,10H,2-5H2,1H3,(H,11,12 )/t7-/m0/s1; ZQVNOVXAPYHZNS-ZETCQYMHSA-N |
CCC[C@H]1C(=C(CO1)CO)C(=O)O; CCC[C@@H]1O CC(=C1C(O)=O)CO; CCCC1C(=C(CO1)CO)C(=O)O ; CCC[CH]1OCC(=C1C(O)=O)CO |
4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid |
| 32626 |  LUC |
1 | C17 H16 Cl N3 O3 | InChI=1S/C17H16ClN3O3/c1- 10-2-3-19-9-14(10)20-15(2 2)6-11-4-12(18)7-13(5-11) 24-17-8-16(23)21-17/h2-5, 7,9,17H,6,8H2,1H3,(H,20,2 2)(H,21,23)/t17-/m1/s1; JCZDGTYSQGAPDN-QGZVFWFLSA-N |
Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N 3)c2; Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(= O)N2)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)O C3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc(cc(c2)C l)O[C@@H]3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc (Cl)cc(O[C@@H]3CC(=O)N3)c2 |
2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide |
| 32627 |  LUD CHEMBL1233930 |
1 | C20 H21 N7 O7 | InChI=1S/C20H21N7O7/c21-1 9-24-15-14(17(31)25-19)27 -11(7-22-15)8-26(20(27)34 )10-3-1-9(2-4-10)16(30)23 -12(18(32)33)5-6-13(28)29 /h1-4,11-12H,5-8H2,(H,23, 30)(H,28,29)(H,32,33)(H4, 21,22,24,25,31)/t11-,12+/ m1/s1; JSNFRYBHBVDHSG-NEPJUHHUSA-N |
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2 C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N; NC1= NC2=C(N3[CH](CN2)CN(C3=O)c4ccc(cc4)C(=O) N[CH](CCC(O)=O)C(O)=O)C(=O)N1; NC1=NC2=C (N3[C@H](CN2)CN(C3=O)c4ccc(cc4)C(=O)N[C@ @H](CCC(O)=O)C(O)=O)C(=O)N1; N=4C2=C(N3C (N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3 CN2)=O)C(=O)NC=4N; c1cc(ccc1C(=O)NC(CCC( =O)O)C(=O)O)N2CC3CNC4=C(N3C2=O)C(=O)NC(= N4)N |
N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid |
| 32628 |  LUE CHEMBL4753164 |
1 | C22 H24 N10 O | InChI=1S/C22H24N10O/c1-13 -24-20(21-28-27-14(2)33-2 1)19-10-15(7-9-32(13)19)2 5-22-23-8-6-17(26-22)18-1 1-16(12-30(3)4)31(5)29-18 /h6-11H,12H2,1-5H3,(H,23, 25,26); PAZNLQHSWVMGIW-UHFFFAOYSA-N |
CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5o c(C)nn5)c4c3)n2; Cc1nc(c2n1ccc(c2)Nc3ncc c(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C |
~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine |
| 32629 |  LUF ZINC000005766341 |
2 | C25 H38 O3 | InChI=1S/C25H38O3/c1-18(1 1-7-13-21-17-23(26)28-24( 21)27)9-6-10-19(2)14-15-2 2-20(3)12-8-16-25(22,4)5/ h10-11,17,24,27H,6-9,12-1 6H2,1-5H3/b18-11+,19-10+/ t24-/m0/s1; JPWPYTMXSXYUPG-XKILHPSWSA-N |
CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=C C(=O)O[C@@H]2O)/C)/C; C\C(CC\C=C(C)\CCC1 =C(C)CCCC1(C)C)=C/CCC2=CC(=O)O[C@@H]2O; CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O )OC2O)C)C; CC(CCC=C(C)CCC1=C(C)CCCC1(C)C )=CCCC2=CC(=O)O[CH]2O; O=C1OC(O)C(=C1)CC /C=C(\C)CC\C=C(/C)CCC2=C(C)CCCC2(C)C |
(5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one; Luffariellolide |
| 32630 |  LUG CHEMBL485945 DB08130 ZINC000034285190 |
1 | C16 H13 F3 I N5 O | InChI=1S/C16H13F3IN5O/c17 -10-3-2-9(15-24-25-16(26- 15)22-6-5-21)14(13(10)19) 23-12-4-1-8(20)7-11(12)18 /h1-4,7,23H,5-6,21H2,(H,2 2,25); FPDWDLAITHFTTP-UHFFFAOYSA-N |
Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NC CN; c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o 3)NCCN; NCCNc1oc(nn1)c2ccc(F)c(F)c2Nc3cc c(I)cc3F |
N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine |
| 32631 |  LUH |
4 | C14 H20 N5 O9 P | InChI=1S/C14H20N5O9P/c1-7 -12(20)9(8(2-16-7)4-28-29 (23,24)25)3-17-27-6-11-14 (22)18-10(5-26-15)13(21)1 9-11/h2-3,10-11,20H,4-6,1 5H2,1H3,(H,18,22)(H,19,21 )(H2,23,24,25)/b17-3-/t10 -,11-/m0/s1; HNXGFDLEQUEUAT-GAIAKETDSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[ CH](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)( O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O; Cc1ncc (CO[P](O)(O)=O)c(\C=N/OC[C@@H]2NC(=O)[C@ H](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)(O )O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON) O |
[4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 32632 |  LUI CHEMBL1851820 ZINC000034575872 |
4 | C22 H25 N3 O3 | InChI=1S/C22H25N3O3/c1-14 (2)12-25-19(11-23)21(15-6 -4-3-5-7-15)18-10-16(28-1 3-20(24)26)8-9-17(18)22(2 5)27/h3-10,14H,11-13,23H2 ,1-2H3,(H2,24,26); GODOFGUHKFCHSR-UHFFFAOYSA-N |
CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3cc ccc3)CN; CC(C)CN1C(=O)c2ccc(OCC(N)=O)cc2 C(=C1CN)c3ccccc3; O=C(N)COc3ccc1c(C(=C(N (C1=O)CC(C)C)CN)c2ccccc2)c3 |
2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide; TAK-285 |
| 32633 |  LUJ CHEMBL4538701 |
0 | C26 H51 N5 O13 | InChI=1S/C26H51N5O13/c1-2 -3-8-12(6-32)40-24(14(30) 16(8)34)42-21-10(29)4-9(2 8)17(35)23(21)44-26-20(38 )22(13(7-33)41-26)43-25-1 5(31)19(37)18(36)11(5-27) 39-25/h8-26,32-38H,2-7,27 -31H2,1H3/t8-,9-,10+,11+, 12-,13-,14-,15-,16+,17+,1 8-,19-,20-,21-,22-,23-,24 -,25-,26+/m1/s1; GSHRTHLCTXGYPA-RNNXBIGMSA-N |
CCC[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@@H]1 CO)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; CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C( O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO; CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[C H]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; CCCC1C(CO)OC(C(C1O)N)OC2C( N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O )C4N)O)N; CCC[C@@H]1[C@H](O[C@@H]([C@@H] ([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([ C@H]2O[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)N)CO |
(1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside; propylamycin |
| 32634 |  LUK |
4 | C14 H20 N5 O9 P | InChI=1S/C14H20N5O9P/c1-7 -12(20)9(8(2-16-7)4-28-29 (23,24)25)3-17-27-6-11-14 (22)18-10(5-26-15)13(21)1 9-11/h2-3,10-11,20H,4-6,1 5H2,1H3,(H,18,22)(H,19,21 )(H2,23,24,25)/b17-3-/t10 -,11-/m1/s1; HNXGFDLEQUEUAT-IZYPQUFVSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[ CH](CON)NC2=O)c1O; Cc1ncc(CO[P](O)(O)=O) c(\C=N/OC[C@H]2NC(=O)[C@@H](CON)NC2=O)c1 O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O) NC(C(=O)N2)CON)O; Cc1c(c(c(cn1)COP(=O)(O )O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CO N)O |
[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 32635 |  LUM CHEMBL1234101 DB04345 ZINC000012446789 |
15 | C12 H10 N4 O2 | InChI=1S/C12H10N4O2/c1-5- 3-7-8(4-6(5)2)14-10-9(13- 7)11(17)16-12(18)15-10/h3 -4H,1-2H3,(H2,14,15,16,17 ,18); ZJTJUVIJVLLGSP-UHFFFAOYSA-N |
Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3; Cc1c c2nc3NC(=O)NC(=O)c3nc2cc1C; O=C1c2nc3c(n c2NC(=O)N1)cc(c(c3)C)C |
LUMICHROME; 7,8-DIMETHYLALLOXAZINE; 6,7-DIMETHYLALLOXAZINE |
| 32636 |  LUN ZINC000073224359 |
1 | C25 H27 F N4 O | InChI=1S/C25H27FN4O/c26-1 8-7-8-21-17(12-18)13-22(2 8-21)24(31)30-16-25(20-5- 1-2-6-23(20)30)9-11-29(15 -25)19-4-3-10-27-14-19/h1 -2,5-8,12-13,19,27-28H,3- 4,9-11,14-16H2/t19-,25-/m 1/s1; ABNVVKAVWJYHCL-KBMIEXCESA-N |
c1ccc2c(c1)C3(CCN(C3)C4CCCNC4)CN2C(=O)c5 cc6cc(ccc6[nH]5)F; Fc1ccc2[nH]c(cc2c1)C( =O)N3C[C@]4(CCN(C4)[C@@H]5CCCNC5)c6ccccc 36; c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4C CCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F; Fc1cc c2[nH]c(cc2c1)C(=O)N3C[C]4(CCN(C4)[CH]5C CCNC5)c6ccccc36; Fc1cc2cc(nc2cc1)C(=O)N4 c3c(cccc3)C6(C4)CN(C5CCCNC5)CC6 |
(5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone |
| 32637 |  LUO ZINC000095921160 |
3 | C22 H22 N6 O3 | InChI=1S/C22H22N6O3/c1-13 -6-4-5-7-18(13)28-19-17(1 2-23-28)21(30)27-22(26-19 )24-14(2)20(29)25-15-8-10 -16(31-3)11-9-15/h4-12,14 H,1-3H3,(H,25,29)(H2,24,2 6,27,30)/t14-/m0/s1; VHGPQZWYIWLLDA-AWEZNQCLSA-N |
Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C )C(=O)Nc4ccc(cc4)OC; COc1ccc(NC(=O)[C@H] (C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1; C Oc1ccc(NC(=O)[CH](C)NC2=Nc3n(ncc3C(=O)N2 )c4ccccc4C)cc1; Cc1ccccc1n2c3c(cn2)C(=O) NC(=N3)NC(C)C(=O)Nc4ccc(cc4)OC; O=C(Nc1c cc(OC)cc1)C(NC2=Nc3c(C(=O)N2)cnn3c4ccccc 4C)C |
N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide |
| 32638 |  LUP CHEMBL4460946 |
2 | C23 H35 F3 N4 O4 S | InChI=1S/C23H35F3N4O4S/c2 4-23(25,26)10-1-11-27-18- 6-2-16(3-7-18)15-35(32,33 )30-12-8-19(9-13-30)28-22 (31)20-14-21(34-29-20)17- 4-5-17/h14,16-19,27H,1-13 ,15H2,(H,28,31)/t16-,18-; VAYJCVQRMIULEM-SAABIXHNSA-N |
FC(F)(F)CCCN[CH]1CC[CH](CC1)C[S](=O)(=O) N2CC[CH](CC2)NC(=O)c3cc(on3)C4CC4; c1c(o nc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N CCCC(F)(F)F)C4CC4; FC(F)(F)CCCN[C@H]1CC[ C@@H](CC1)C[S](=O)(=O)N2CC[C@@H](CC2)NC( =O)c3cc(on3)C4CC4; C4C(NCCCC(F)(F)F)CCC( CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O )C4 |
5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide |
| 32639 |  LUQ ZINC000001659811 |
2 | C4 H10 N2 O4 S | InChI=1S/C4H10N2O4S/c5-4( 7)3-6-1-2-11(8,9)10/h6H,1 -3H2,(H2,5,7)(H,8,9,10); DBXNUXBLKRLWFA-UHFFFAOYSA-N |
NC(=O)CNCC[S](O)(=O)=O; C(CS(=O)(=O)O)NC C(=O)N |
N-(2-acetamido)-2-aminoethanesulfonic acid; N-(Carbamoylmethyl)taurine |
| 32640 |  LUR CHEMBL404108 DB01283 ZINC000000007563 |
16 | C15 H13 Cl F N O2 | InChI=1S/C15H13ClFNO2/c1- 9-5-6-13(10(7-9)8-14(19)2 0)18-15-11(16)3-2-4-12(15 )17/h2-7,18H,8H2,1H3,(H,1 9,20); KHPKQFYUPIUARC-UHFFFAOYSA-N |
Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C; Cc1ccc (c(c1)CC(=O)O)Nc2c(cccc2Cl)F; Cc1ccc(Nc2 c(F)cccc2Cl)c(CC(O)=O)c1 |
{2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid; Lumiracoxib |
| 32641 |  LUS |
1 | C12 H23 N O | InChI=1S/C12H23NO/c1-2-11 -3-5-12(6-4-11)13-7-9-14- 10-8-13/h11-12H,2-10H2,1H 3/t11-,12-; UXPACUHPXVTRQE-HAQNSBGRSA-N |
CCC1CCC(CC1)N2CCOCC2; CC[CH]1CC[CH](CC1) N2CCOCC2; CC[C@H]1CC[C@@H](CC1)N2CCOCC2 |
4-(4-ethylcyclohexyl)morpholine |
| 32642 |  LUT ZINC000014879961 |
4 | C40 H56 O2 | InChI=1S/C40H56O2/c1-29(1 7-13-19-31(3)21-23-37-33( 5)25-35(41)27-39(37,7)8)1 5-11-12-16-30(2)18-14-20- 32(4)22-24-38-34(6)26-36( 42)28-40(38,9)10/h11-25,3 5-37,41-42H,26-28H2,1-10H 3/b12-11+,17-13+,18-14+,2 3-21+,24-22+,29-15+,30-16 +,31-19+,32-20+/t35-,36-, 37-/m0/s1; KBPHJBAIARWVSC-NSIPBSJQSA-N |
CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C [C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C( =C[C@H](O)CC2(C)C)C; CC1=C(C(C[C@H](C1)O )(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C \C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O) C)\C)\C; CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C( C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[ CH](O)CC2(C)C)C; OC2CC(=C(\C=C\C(=C\C=C\ C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(=CC(O)CC1 (C)C)C)C)C)C)C)C(C)(C)C2)C; CC1=C(C(CC(C 1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C )C=CC2C(=CC(CC2(C)C)O)C)C)C |
(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL; (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL; LUTEIN |
| 32643 |  LUU CHEMBL5093963 ZINC000002021900 |
1 | C9 H10 N2 | InChI=1S/C9H10N2/c10-6-7- 1-2-9-8(5-7)3-4-11-9/h1-5 ,11H,6,10H2; UAYYSAPJTRVEQA-UHFFFAOYSA-N |
c1cc2c(cc[nH]2)cc1CN; NCc1ccc2[nH]ccc2c1 | 1~{H}-indol-5-ylmethanamine |
| 32644 |  LUV ZINC000098209132 |
2 | C31 H34 N4 O3 S | InChI=1S/C31H34N4O3S/c36- 27(17-8-7-16-26-29-25(20- 39-26)34-31(38)35-29)32-1 8-19-33-30(37)28-23(21-10 -3-1-4-11-21)14-9-15-24(2 8)22-12-5-2-6-13-22/h1-6, 9-15,25-26,29H,7-8,16-20H 2,(H,32,36)(H,33,37)(H2,3 4,35,38)/t25-,26-,29-/m0/ s1; HDCOHCMVDIFBPR-ZEZDXWPOSA-N |
c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@ H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5; c 1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCCC3C4 C(CS3)NC(=O)N4)c5ccccc5; O=C(CCCC[CH]1SC [CH]2NC(=O)N[CH]12)NCCNC(=O)c3c(cccc3c4c cccc4)c5ccccc5; O=C(CCCC[C@@H]1SC[C@@H]2 NC(=O)N[C@H]12)NCCNC(=O)c3c(cccc3c4ccccc 4)c5ccccc5; O=C1NC2C(SCC2N1)CCCCC(=O)NCC NC(=O)c5c(c3ccccc3)cccc5c4ccccc4 |
(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide |
| 32645 |  LUW |
2 | C21 H17 N5 O3 | InChI=1S/C21H17N5O3/c27-1 9(18-14-23-21(25-20(18)28 )26-12-4-11-24-26)22-13-1 5-7-9-17(10-8-15)29-16-5- 2-1-3-6-16/h1-12,14H,13H2 ,(H,22,27)(H,23,25,28); WBANHLSPTRNPCR-UHFFFAOYSA-N |
Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4c ccn4; c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc( nc3O)n4cccn4 |
4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide |
| 32646 |  LUX |
6 | C40 H72 O2 | InChI=1S/C40H72O2/c1-29(1 7-13-19-31(3)21-23-37-33( 5)25-35(41)27-39(37,7)8)1 5-11-12-16-30(2)18-14-20- 32(4)22-24-38-34(6)26-36( 42)28-40(38,9)10/h21,23,2 6,29-32,35-36,38,41-42H,1 1-20,22,24-25,27-28H2,1-1 0H3/b23-21+/t29-,30+,31-, 32?,35+,36-,38?/m1/s1; OXVWOOPFXSSEKV-SQYYBNMASA-N |
OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C) CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C; C[CH] (CCCC[CH](C)CCC[CH](C)C=CC1=C(C)C[CH](O) CC1(C)C)CCC[CH](C)CC[CH]2C(=C[CH](O)CC2( C)C)C; CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C )CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2 (C)C)O)C; C[C@@H](CCCC[C@@H](C)CCC[C@@H] (C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)CCC[C@@H ](C)CC[C@H]2C(=C[C@@H](O)CC2(C)C)C; CC1= C(C(CC(C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)C CCC(C)CCC2C(=CC(CC2(C)C)O)C |
(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL |
| 32647 |  LUY ZINC000000513006 |
5 | C15 H15 N3 | InChI=1S/C15H15N3/c1-2-6- 12(7-3-1)10-11-16-15-17-1 3-8-4-5-9-14(13)18-15/h1- 9H,10-11H2,(H2,16,17,18); OWETVOGOOABRTJ-UHFFFAOYSA-N |
c1ccc(cc1)CCNc2[nH]c3ccccc3n2; C(Cc1cccc c1)Nc2[nH]c3ccccc3n2 |
~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine |
| 32648 |  LUZ CHEMBL1234104 ZINC000000155664 |
5 | C6 H4 N4 O2 | InChI=1S/C6H4N4O2/c11-5-3 -4(8-2-1-7-3)9-6(12)10-5/ h1-2H,(H2,8,9,10,11,12); UYEUUXMDVNYCAM-UHFFFAOYSA-N |
O=C1NC(=O)c2nccnc2N1; O=C2c1nccnc1NC(=O) N2; c1cnc2c(n1)C(=O)NC(=O)N2 |
pteridine-2,4(1H,3H)-dione; Lumazine; 2,4-dihydroxypteridine; 2,4-pteridinediol |
| 32649 |  LV0 |
1 | C21 H21 N3 O3 S | InChI=1S/C21H21N3O3S/c25- 19(21(27)23-14-18-22-11-1 2-28-18)17(13-15-7-3-1-4- 8-15)24-20(26)16-9-5-2-6- 10-16/h1-12,17,19,25H,13- 14H2,(H,23,27)(H,24,26)/t 17-,19+/m1/s1; UFZXDNQNUPUWBP-MJGOQNOKSA-N |
O[C@@H]([C@@H](Cc1ccccc1)NC(=O)c2ccccc2) C(=O)NCc3sccn3; c1ccc(cc1)CC(C(C(=O)NCc2 nccs2)O)NC(=O)c3ccccc3; c1ccc(cc1)C[C@H] ([C@@H](C(=O)NCc2nccs2)O)NC(=O)c3ccccc3; O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(= O)NCc3sccn3 |
~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide |
| 32650 |  LV1 ZINC000000399805 |
1 | C13 H11 F N2 O2 | InChI=1S/C13H11FN2O2/c14- 9-4-6-10(7-5-9)15-13(18)1 6-11-2-1-3-12(17)8-11/h1- 8,17H,(H2,15,16,18); BASVXNNPMBRKEP-UHFFFAOYSA-N |
c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F; Oc1cccc (NC(=O)Nc2ccc(F)cc2)c1 |
1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea |
| 32651 |  LV2 |
0 | C11 H18 N3 O8 P | InChI=1S/C11H18N3O8P/c1-1 3(2)7-3-4-14(11(17)12-7)1 0-9(16)8(15)6(22-10)5-21- 23(18,19)20/h3-4,6,8-10,1 5-16H,5H2,1-2H3,(H2,18,19 ,20)/t6-,8-,9-,10-/m1/s1; PGVGGVCCRBGELR-PEBGCTIMSA-N |
CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)( O)O)O)O; CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@ H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O; CN(C )C1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)( O)=O)[C@@H](O)[C@H]2O; CN(C)C1=NC(=O)N(C =C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH] 2O |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 32652 |  LV4 ZINC000000102765 |
14 | C8 H7 F3 N2 O S | InChI=1S/C8H7F3N2OS/c9-8( 10,11)14-6-4-2-1-3-5(6)13 -7(12)15/h1-4H,(H3,12,13, 15); HYKOSRYWIURWQI-UHFFFAOYSA-N |
NC(=S)Nc1ccccc1OC(F)(F)F; c1ccc(c(c1)NC( =S)N)OC(F)(F)F |
1-[2-(trifluoromethyloxy)phenyl]thiourea |
| 32653 |  LV5 CHEMBL1319813 ZINC000000157572 |
1 | C6 H5 Cl2 N | InChI=1S/C6H5Cl2N/c7-5-2- 1-4(9)3-6(5)8/h1-3H,9H2; SDYWXFYBZPNOFX-UHFFFAOYSA-N |
c1cc(c(cc1N)Cl)Cl; Nc1ccc(Cl)c(Cl)c1 | 3,4-Dichloroaniline |
| 32654 |  LV7 ZINC000000144281 |
2 | C9 H11 N3 O2 | InChI=1S/C9H11N3O2/c1-6(1 3)11-8-5-3-2-4-7(8)9(14)1 2-10/h2-5H,10H2,1H3,(H,11 ,13)(H,12,14); QECAIFFXHWSKAI-UHFFFAOYSA-N |
CC(=O)Nc1ccccc1C(=O)NN | ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide |
| 32655 |  LV8 |
0 | C5 H10 N2 O3 | InChI=1S/C5H10N2O3/c1-3(8 )7-2-4(6)5(9)10/h4H,2,6H2 ,1H3,(H,7,8)(H,9,10)/t4-/ m0/s1; YSPAKPPINKSOKX-BYPYZUCNSA-N |
CC(=O)NC[C@@H](C(=O)O)N; CC(=O)NCC(C(=O) O)N; CC(=O)NC[CH](N)C(O)=O; CC(=O)NC[C@H ](N)C(O)=O |
(2~{S})-3-acetamido-2-azanyl-propanoic acid |
| 32656 |  LV9 |
1 | C18 H21 N3 O2 | InChI=1S/C18H21N3O2/c22-1 7(20-16-7-4-10-19-14-16)2 1-18(8-11-23-12-9-18)13-1 5-5-2-1-3-6-15/h1-7,10,14 H,8-9,11-13H2,(H2,20,21,2 2); QJWPFRCAJGJSOH-UHFFFAOYSA-N |
O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3; c1cc c(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3; O=C(NC 1(CCOCC1)Cc1ccccc1)Nc1cccnc1 |
N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea |
| 32657 |  LVA CHEMBL1201373 DB03785 ZINC000004134473 |
4 | C24 H38 O6 | InChI=1S/C24H38O6/c1-5-15 (3)24(29)30-21-11-14(2)10 -17-7-6-16(4)20(23(17)21) 9-8-18(25)12-19(26)13-22( 27)28/h6-7,10,14-16,18-21 ,23,25-26H,5,8-9,11-13H2, 1-4H3,(H,27,28)/t14-,15-, 16-,18+,19+,20-,21-,23-/m 0/s1; QLJODMDSTUBWDW-BXMDZJJMSA-N |
CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[ C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O )O)O)C; CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2 C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O) [CH]12; CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2) C)CCC(CC(CC(=O)O)O)O)C; CC[C@H](C)C(=O)O [C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[ C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12; O=C( O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C) CC)C12)C)C |
(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID |
| 32658 |  LVB |
2 | C14 H11 N O4 | InChI=1S/C14H11NO4/c1-9-2 -4-10(5-3-9)14(17)11-6-7- 13(16)12(8-11)15(18)19/h2 -8,16H,1H3; OYCADSVKEVKERJ-UHFFFAOYSA-N |
Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-]) O; Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O- ])=O |
3-deoxytolcapone |
| 32659 |  LVC ZINC000002561212 |
1 | C10 H10 O3 | InChI=1S/C10H10O3/c1-7(11 )6-8-2-4-9(5-3-8)10(12)13 /h2-5H,6H2,1H3,(H,12,13); FLZUYXUBDVKWPO-UHFFFAOYSA-N |
CC(=O)Cc1ccc(cc1)C(=O)O; O=C(C)Cc1ccc(cc 1)C(=O)O; CC(=O)Cc1ccc(cc1)C(O)=O |
4-(2-oxopropyl)benzoic acid |
| 32660 |  LVD CHEMBL1867851 ZINC000000084002 |
4 | C8 H10 N2 O2 | InChI=1S/C8H10N2O2/c9-8(1 1)10-12-6-7-4-2-1-3-5-7/h 1-5H,6H2,(H3,9,10,11); IXRIVZOKBPYSPK-UHFFFAOYSA-N |
c1ccc(cc1)CONC(=O)N; NC(=O)NOCc1ccccc1 | 1-phenylmethoxyurea |
| 32661 |  LVE ZINC000077303491 |
2 | C15 H13 N O5 | InChI=1S/C15H13NO5/c1-9-3 -5-10(6-4-9)14(17)11-7-12 (16(19)20)15(18)13(8-11)2 1-2/h3-8,18H,1-2H3; VCNSNEJUGBEWTA-UHFFFAOYSA-N |
COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C) cc2; Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N +](=O)[O-] |
3-O-methyltolcapone |
| 32662 |  LVF ZINC000016697555 |
5 | C10 H7 Cl N2 | InChI=1S/C10H7ClN2/c11-8- 1-2-10-9(5-8)7(3-4-12)6-1 3-10/h1-2,5-6,13H,3H2; UHFZUNGNGGEESB-UHFFFAOYSA-N |
Clc1ccc2[nH]cc(CC#N)c2c1; c1cc2c(cc1Cl)c (c[nH]2)CC#N |
2-(5-chloranyl-1H-indol-3-yl)ethanenitrile |
| 32663 |  LVG DB03214 ZINC000001566185 |
2 | C4 H7 N O2 | InChI=1S/C4H7NO2/c1-2-3(5 )4(6)7/h2-3H,1,5H2,(H,6,7 )/t3-/m0/s1; RQVLGLPAZTUBKX-VKHMYHEASA-N |
O=C(O)C(\C=C)N; N[CH](C=C)C(O)=O; N[C@@H ](C=C)C(O)=O; C=CC(C(=O)O)N; C=C[C@@H](C (=O)O)N |
L-VINYLGLYCINE; (2S)-2-AMINO-3-BUTENOIC ACID; (2S)-2-AMINOBUT-3-ENOIC ACID |
| 32664 |  LVH CHEMBL4447306 |
2 | C26 H27 F3 N2 O2 | InChI=1S/C26H27F3N2O2/c1- 15-11-18-17-7-5-6-8-21(17 )30-24(18)26(4,31(15)14-2 5(2,3)29)23-19(27)12-16(1 3-20(23)28)9-10-22(32)33/ h5-10,12-13,15,30H,11,14H 2,1-4H3,(H,32,33)/b10-9+/ t15-,26-/m1/s1; QGICMPFWBJJTDL-OEFSXXAWSA-N |
C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C )F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F; C[C@@H] 1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F) c4c(F)cc(/C=C/C(O)=O)cc4F; CC1Cc2c3ccccc 3[nH]c2C(N1CC(C)(C)F)(C)c4c(cc(cc4F)C=CC (=O)O)F; C[CH]1Cc2c([nH]c3ccccc23)[C](C) (N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F |
(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid |
| 32665 |  LVJ ZINC000098209137 |
2 | C27 H32 Cl2 F3 N5 O4 | InChI=1S/C27H32Cl2F3N5O4/ c1-25(2,3)23(39)33-11-14- 7-8-16(28)21(20(14)29)36- 24-35-17-9-15(22(38)34-12 -27(30,31)32)19(10-18(17) 37(24)6)41-13-26(4,5)40/h 7-10,40H,11-13H2,1-6H3,(H ,33,39)(H,34,38)(H,35,36); CHFOASGROVVRSK-UHFFFAOYSA-N |
Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc 3cc(C(=O)NCC(F)(F)F)c(OCC(C)(C)O)cc13; F C(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)C NC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C; CC(C )(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2 C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl |
2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide |
| 32666 |  LVK ZINC000002038006 |
1 | C10 H10 O3 | InChI=1S/C10H10O3/c1-2-9( 11)7-3-5-8(6-4-7)10(12)13 /h3-6H,2H2,1H3,(H,12,13); MQZBJHMHKZVYHB-UHFFFAOYSA-N |
CCC(=O)c1ccc(cc1)C(O)=O; OC(=O)c1ccc(cc1 )C(=O)CC; CCC(=O)c1ccc(cc1)C(=O)O |
4-propanoylbenzoic acid |
| 32667 |  LVL |
1 | C11 H7 F3 N2 | InChI=1S/C11H7F3N2/c12-11 (13,14)8-1-2-10-9(5-8)7(3 -4-15)6-16-10/h1-2,5-6,16 H,3H2; RLNKXFUKNFUIHO-UHFFFAOYSA-N |
c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N; FC(F)( F)c1ccc2[nH]cc(CC#N)c2c1 |
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile |
| 32668 |  LVM |
1 | C14 H18 N2 O | InChI=1S/C14H18N2O/c1-10- 2-5-15-9-12(10)16-13(17)6 -11-7-14(8-11)3-4-14/h2,5 ,9,11H,3-4,6-8H2,1H3,(H,1 6,17); BEZLDJLMZNYTJV-UHFFFAOYSA-N |
O=C(Nc1cnccc1C)CC1CC2(CC2)C1; Cc1ccncc1N C(=O)CC2CC3(C2)CC3; Cc1ccncc1NC(=O)CC2CC 3(CC3)C2 |
N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide |
| 32669 |  LVN |
0 | C5 H9 N O3 | InChI=1S/C5H9NO3/c1-3(2-7 )4(6)5(8)9/h2-4H,6H2,1H3, (H,8,9)/t3-,4+/m1/s1; JHWQDNUTTOUUKV-DMTCNVIQSA-N |
CC(C=O)C(C(=O)O)N; C[CH](C=O)[CH](N)C(O) =O; C[C@H](C=O)[C@H](N)C(O)=O; C[C@H](C= O)[C@@H](C(=O)O)N |
(3S)-4-oxo-L-valine; (2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid |
| 32670 |  LVO CHEMBL467058 DB11888 ZINC000014175798 |
6 | C21 H36 N4 O8 | InChI=1S/C21H36N4O8/c1-4- 5-6-7-8-9-16(28)32-11-14( 27)18(31-3)19-17(24-12(2) 26)13(25-21(22)23)10-15(3 3-19)20(29)30/h10,13-14,1 7-19,27H,4-9,11H2,1-3H3,( H,24,26)(H,29,30)(H4,22,2 3,25)/t13-,14+,17+,18+,19 +/m0/s1; UKTIJASCFRNWCB-RMIBSVFLSA-N |
[H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC( =O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C (=O)O; CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC) [C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O) C(O)=O; CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C (=O)O)NC(=N)N)NC(=O)C)OC)O; CCCCCCCC(=O) OC[CH](O)[CH](OC)[CH]1OC(=C[CH](NC(N)=N) [CH]1NC(C)=O)C(O)=O; O=C(OCC(O)C(OC)C1OC (=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCC C |
5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid; 5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid; Laninamivir octanoate |
| 32671 |  LVP ZINC000000151485 |
3 | C10 H8 F N3 O2 | InChI=1S/C10H8FN3O2/c11-7 -3-1-2-4-8(7)13-14-10(15) 9-5-6-12-16-9/h1-6,13H,(H ,14,15); WLARYWMNUKSZGW-UHFFFAOYSA-N |
c1ccc(c(c1)NNC(=O)c2ccno2)F; Fc1ccccc1NN C(=O)c2oncc2 |
~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide |
| 32672 |  LVQ |
20 | C38 H37 As Na O25 S4 | InChI=1S/C38H38AsO25S4.Na /c1-39(2,47)64-34(46)18-6 3-38-25-5-23-11-28(66(51, 52)53)9-21(36(23)61-16-32 (42)43)3-19-7-27(65(48,49 )50)8-20(35(19)60-15-31(4 0)41)4-22-10-29(67(54,55) 56)12-24(37(22)62-17-33(4 4)45)6-26(38)14-30(13-25) 68(57,58)59;/h7-14,47H,3- 6,15-18H2,1-2H3,(H,40,41) (H,42,43)(H,44,45)(H,48,4 9,50)(H,51,52,53)(H,54,55 ,56)(H,57,58,59);/q-1;+6/ p-1; DWJVHZAMZXSDQE-UHFFFAOYSA-M |
C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2 c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c 7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(= O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O) =O)[S](O)(=O)=O; C[As-](C)(O)OC1=[O+][Na ]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O +]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c 1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S (=O)(=O)O)S(=O)(=O)O |
octa-anionic calixarene |
| 32673 |  LVR |
0 | C22 H30 N5 O8 P | InChI=1S/C22H30N5O8P/c23- 5-8-26-15-1-2-16(20-19(15 )21(30)13-3-6-25-11-14(13 )22(20)31)27-10-9-24-7-4- 17(28)18(29)12-35-36(32,3 3)34/h1-3,6,11,17-18,24,2 6-29H,4-5,7-10,12,23H2,(H 2,32,33,34)/t17-,18-/m0/s 1; BJAOHGRBCOQHHR-ROUUACIJSA-N |
c1cc(c2c(c1NCCN)C(=O)c3ccncc3C2=O)NCCNCC [C@@H]([C@H](COP(=O)(O)O)O)O; NCCNc1ccc( NCCNCC[C@H](O)[C@@H](O)CO[P](O)(O)=O)c2C (=O)c3cnccc3C(=O)c12; O=P(O)(O)OCC(O)C(O )CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O; NCCNc1ccc(NCCNCC[CH](O)[CH](O)CO[P](O)( O)=O)c2C(=O)c3cnccc3C(=O)c12; c1cc(c2c(c 1NCCN)C(=O)c3ccncc3C2=O)NCCNCCC(C(COP(=O )(O)O)O)O |
1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol |
| 32674 |  LVS |
15 | C28 H43 I N4 O8 S | InChI=1S/C28H43IN4O8S/c1- 16(2)10-20(8-9-42(7,40)41 )30-27(36)23(12-18(5)6)32 -28(37)22(11-17(3)4)31-25 (34)15-19-13-21(29)26(35) 24(14-19)33(38)39/h8-9,13 -14,16-18,20,22-23,35H,10 -12,15H2,1-7H3,(H,30,36)( H,31,34)(H,32,37)/t20-,22 +,23+/m1/s1; RSYTXXARKSZDKY-PUHATCMVSA-N |
CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](C C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c (c1)I)O)[N+](=O)[O-]; CC(C)CC(C=CS(=O)(= O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O) Cc1cc(c(c(c1)I)O)[N+](=O)[O-]; O=[N+]([O -])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)N C(\C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C; CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH]( CC(C)C)NC(=O)Cc1cc(I)c(O)c(c1)[N+]([O-]) =O)C=C[S](C)(=O)=O; CC(C)C[C@H](NC(=O)[C @H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1c c(I)c(O)c(c1)[N+]([O-])=O)\C=C/[S](C)(=O )=O |
4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE |
| 32675 |  LVT |
2 | C36 H32 O24 S4 | InChI=1S/C36H32O24S4/c37- 29(38)13-57-33-17-1-18-6- 26(62(48,49)50)8-20(34(18 )58-14-30(39)40)3-22-10-2 8(64(54,55)56)12-24(36(22 )60-16-32(43)44)4-23-11-2 7(63(51,52)53)9-21(35(23) 59-15-31(41)42)2-19(33)7- 25(5-17)61(45,46)47/h5-12 H,1-4,13-16H2,(H,37,38)(H ,39,40)(H,41,42)(H,43,44) (H,45,46,47)(H,48,49,50)( H,51,52,53)(H,54,55,56); JUMSFKUQLZLREY-UHFFFAOYSA-N |
c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc( c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)( =O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O )(=O)O; OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc 5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5OCC(O)=O) [S](O)(=O)=O)c4OCC(O)=O)[S](O)(=O)=O)c3O CC(O)=O)[S](O)(=O)=O |
octa-anionic calix[4]arene |
| 32676 |  LVU CHEMBL5198078 |
1 | C9 H5 Br2 N3 | InChI=1S/C9H5Br2N3/c10-6- 3-5-8(1-2-12)13-14-9(5)4- 7(6)11/h3-4H,1H2,(H,13,14 ); LIFGJTPUCFFUJO-UHFFFAOYSA-N |
c1c2c(cc(c1Br)Br)[nH]nc2CC#N; Brc1cc2[nH ]nc(CC#N)c2cc1Br |
2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile |
| 32677 |  LVV CHEMBL1419545 ZINC000059601259 |
9 | C12 H17 N O2 S | InChI=1S/C12H17NO2S/c1-11 -2-4-12(5-3-11)10-13-6-8- 16(14,15)9-7-13/h2-5H,6-1 0H2,1H3; PBEMXBVPRZGFNM-UHFFFAOYSA-N |
Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1; Cc1ccc(c c1)CN2CCS(=O)(=O)CC2 |
4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide |
| 32678 |  LVW |
2 | C6 H12 O2 Se | InChI=1S/C6H12O2Se/c1-2-3 -8-4-6(7)5-9/h2,6-7,9H,1, 3-5H2/t6-/m1/s1; YQCUFGFATQCBJJ-ZCFIWIBFSA-N |
O[C@@H](C[SeH])COCC=C; C=CCOC[C@H](C[SeH ])O; O[CH](C[SeH])COCC=C; C=CCOCC(C[SeH] )O |
(2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol |
| 32679 |  LVX |
3 | C25 H32 F2 N4 O5 S | InChI=1S/C25H32F2N4O5S/c1 -36-15-19(31-22(33)17-8-5 -9-25(26,27)13-17)23(34)3 0-18(12-16-6-3-2-4-7-16)2 1(32)24(35)29-14-20-28-10 -11-37-20/h2-4,6-7,10-11, 17-19,21,32H,5,8-9,12-15H 2,1H3,(H,29,35)(H,30,34)( H,31,33)/t17-,18-,19-,21+ /m1/s1; PYEYIJGOSSTTFY-XCJLJZCSSA-N |
COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[C H](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3; COC[ C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)N[C @H](Cc2ccccc2)[C@H](O)C(=O)NCc3sccn3; CO C[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](C(=O )NCc2nccs2)O)NC(=O)[C@@H]3CCCC(C3)(F)F; COCC(C(=O)NC(Cc1ccccc1)C(C(=O)NCc2nccs2) O)NC(=O)C3CCCC(C3)(F)F |
(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide |
| 32680 |  LVY ZINC000001997127 |
12 | C13 H13 N3 O3 | InChI=1S/C13H13N3O3/c14-9 -3-1-2-7-8(9)6-16(13(7)19 )10-4-5-11(17)15-12(10)18 /h1-3,10H,4-6,14H2,(H,15, 17,18)/t10-/m0/s1; GOTYRUGSSMKFNF-JTQLQIEISA-N |
Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O; c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O; c1 cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O; O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N; Nc1c ccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O |
S-Lenalidomide |
| 32681 |  LVZ ZINC000098209139 |
1 | C9 H19 N O11 S2 | InChI=1S/C9H19NO11S2/c1-4 (2)20-9-6(10-22(13,14)15) 8(12)7(11)5(21-9)3-19-23( 16,17)18/h4-12H,3H2,1-2H3 ,(H,13,14,15)(H,16,17,18) /t5-,6-,7-,8-,9+/m1/s1; OLCFKZNXXBRVTA-OKNNCHMLSA-N |
CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O 1)COS(=O)(=O)O)O)O)NS(=O)(=O)O; CC(C)O[C H]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[C H]1N[S](O)(=O)=O; CC(C)O[C@H]1O[C@H](CO[ S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S]( O)(=O)=O; CC(C)OC1C(C(C(C(O1)COS(=O)(=O) O)O)O)NS(=O)(=O)O; O=S(=O)(O)OCC1OC(OC(C )C)C(NS(=O)(=O)O)C(O)C1O |
propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside; propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside; propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucoside; propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucoside |
| 32682 |  LW0 ZINC000621430161 |
3 | C17 H14 F N5 O | InChI=1S/C17H14FN5O/c18-1 1-5-3-4-10(8-11)17(24)19- 15-9-14(16-20-22-23-21-16 )12-6-1-2-7-13(12)15/h1-8 ,14-15H,9H2,(H,19,24)(H,2 0,21,22,23)/t14-,15+/m0/s 1; AVOXPOBGAAXINB-LSDHHAIUSA-N |
Fc1cccc(c1)C(=O)N[C@@H]2C[C@H](c3[nH]nnn 3)c4ccccc24; c1ccc2c(c1)[C@H](C[C@H]2NC( =O)c3cccc(c3)F)c4[nH]nnn4; Fc1cccc(c1)C( =O)NC1CC(c2nnn[NH]2)c2ccccc12; c1ccc2c(c 1)C(CC2NC(=O)c3cccc(c3)F)c4[nH]nnn4; Fc1 cccc(c1)C(=O)N[CH]2C[CH](c3[nH]nnn3)c4cc ccc24 |
3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide |
| 32683 |  LW1 CHEMBL328441 ZINC000000158751 |
7 | C5 H4 O S | InChI=1S/C5H4OS/c6-4-5-2- 1-3-7-5/h1-4H; CNUDBTRUORMMPA-UHFFFAOYSA-N |
O=Cc1sccc1; C(c1cccs1)=O; c1cc(sc1)C=O | thiophene-2-carbaldehyde |
| 32684 |  LW2 ZINC000209871790 |
9 | C8 H10 O3 S | InChI=1S/C8H10O3S/c1-5(9) 7(10)8(11)6-3-2-4-12-6/h2 -4,7-8,10-11H,1H3/t7-,8-/ m1/s1; IGRSBLNSJJCYEW-HTQZYQBOSA-N |
CC(C(C(c1sccc1)O)O)=O; CC(=O)[C@@H](O)[C @H](O)c1sccc1; CC(=O)C(C(c1cccs1)O)O; CC (=O)[C@H]([C@@H](c1cccs1)O)O; CC(=O)[CH] (O)[CH](O)c1sccc1 |
(3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one |
| 32685 |  LW3 CHEMBL5201730 |
1 | C9 H5 Br Cl N3 | InChI=1S/C9H5BrClN3/c10-6 -3-5-8(1-2-12)13-14-9(5)4 -7(6)11/h3-4H,1H2,(H,13,1 4); FAGVHGZPQSWXCE-UHFFFAOYSA-N |
c1c2c(cc(c1Br)Cl)[nH]nc2CC#N; Clc1cc2[nH ]nc(CC#N)c2cc1Br |
2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile |
| 32686 |  LW4 CHEMBL565612 DB12369 ZINC000003973984 |
3 | C25 H22 N6 O2 | InChI=1S/C25H22N6O2/c1-30 -10-12-31(13-11-30)25-27- 19-9-5-3-7-16(19)22(28-25 )21-20(23(32)29-24(21)33) 17-14-26-18-8-4-2-6-15(17 )18/h2-9,14,26H,10-13H2,1 H3,(H,29,32,33); OAVGBZOFDPFGPJ-UHFFFAOYSA-N |
CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4 =O)c5c[nH]c6c5cccc6; O=C3C(c2c1ccccc1nc2 )=C(C(=O)N3)c5nc(nc4ccccc45)N6CCN(C)CC6; CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC 4=O)c5c[nH]c6ccccc56 |
3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione |
| 32687 |  LW5 CHEMBL4636881 |
2 | C23 H27 F N2 O4 | InChI=1S/C23H27FN2O4/c1-1 4(16-6-4-3-5-7-16)30-21-1 3-17(12-20(24)22(21)25-15 (2)27)23(29)26-18-8-10-19 (28)11-9-18/h3-7,12-14,18 -19,28H,8-11H2,1-2H3,(H,2 5,27)(H,26,29)/t14-,18-,1 9-/m0/s1; FRBRZGLUFOZRGD-JVPBZIDWSA-N |
C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC [CH](O)CC2)c3ccccc3; C[C@H](Oc1cc(cc(F)c 1NC(C)=O)C(=O)N[C@H]2CC[C@H](O)CC2)c3ccc cc3; C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C )F)C(=O)NC3CCC(CC3)O; CC(c1ccccc1)Oc2cc( cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O |
4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide |
| 32688 |  LW6 ZINC000001576624 |
1 | C9 H7 N O | InChI=1S/C9H7NO/c11-6-7-2 -1-3-9-8(7)4-5-10-9/h1-6, 10H; JFDDFGLNZWNJTK-UHFFFAOYSA-N |
O=Cc1cccc2[nH]ccc12; c1cc(c2cc[nH]c2c1)C =O; O=Cc1cccc2[NH]ccc12 |
1H-indole-4-carbaldehyde |
| 32689 |  LW7 |
2 | C17 H17 N | InChI=1S/C17H17N/c1-2-6-1 4(7-3-1)10-11-17-16-9-5-4 -8-15(16)12-13-18-17/h1-9 H,10-13H2; GDEYQNLNJXESFX-UHFFFAOYSA-N |
c1ccc(cc1)CCC2=NCCc3c2cccc3; C1Cc2ccccc2 C(=N1)CCc3ccccc3 |
1-(2-phenylethyl)-3,4-dihydroisoquinoline |
| 32690 |  LW8 CHEMBL4303270 ZINC000001530224 |
25 | C9 H16 N3 O2 S | InChI=1S/C9H15N3O2S/c1-12 (2,3)7(8(13)14)4-6-5-10-9 (15)11-6/h5,7H,4H2,1-3H3, (H2-,10,11,13,14,15)/p+1/ t7-/m0/s1; SSISHJJTAXXQAX-ZETCQYMHSA-O |
C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O; C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O; C[N+] (C)(C)[CH](CC1=CNC(=S)N1)C(O)=O; C[N+](C )(C)[C@@H](CC1=CNC(=S)N1)C(O)=O |
trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium |
| 32691 |  LW9 ZINC000001855981 |
1 | C9 H20 | InChI=1S/C9H20/c1-4-7-8-9 (5-2)6-3/h9H,4-8H2,1-3H3; PSVQKOKKLWHNRP-UHFFFAOYSA-N |
CCCCC(CC)CC | 3-ethylheptane |
| 32692 |  LWA ZINC000000804618 |
7 | C12 H14 N2 O3 | InChI=1S/C12H14N2O3/c13-1 1(15)8-3-5-9(6-4-8)14-12( 16)10-2-1-7-17-10/h3-6,10 H,1-2,7H2,(H2,13,15)(H,14 ,16)/t10-/m0/s1; FSZYBIFIACXSAG-JTQLQIEISA-N |
c1cc(ccc1C(=O)N)NC(=O)C2CCCO2; NC(=O)c1c cc(NC(=O)[C@@H]2CCCO2)cc1; c1cc(ccc1C(=O )N)NC(=O)[C@@H]2CCCO2; NC(=O)c1ccc(NC(=O )[CH]2CCCO2)cc1 |
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide |
| 32693 |  LWB CHEMBL4639128 |
2 | C30 H33 N5 O3 | InChI=1S/C30H33N5O3/c1-18 -29(20(3)38-34-18)24-12-2 5-23(13-27(24)37-16-21-10 -11-31-14-21)30-26(15-32- 25)33-28(17-36-4)35(30)19 (2)22-8-6-5-7-9-22/h5-9,1 2-13,15,19,21,31H,10-11,1 4,16-17H2,1-4H3/t19-,21+/ m1/s1; ZORLJXWXFABTPZ-CTNGQTDRSA-N |
Cc1c(c(on1)C)c2cc3c(cc2OCC4CCNC4)c5c(cn3 )nc(n5C(C)c6ccccc6)COC; COCc1nc2cnc3cc(c (OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c (C)onc6C; COCc1nc2cnc3cc(c(OC[C@H]4CCNC4 )cc3c2n1[C@H](C)c5ccccc5)c6c(C)onc6C; Cc 1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(c n3)nc(n5[C@H](C)c6ccccc6)COC |
4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
| 32694 |  LWD CHEMBL1400038 ZINC000000359137 |
4 | C16 H12 N2 O | InChI=1S/C16H12N2O/c19-16 (12-5-2-1-3-6-12)18-14-8- 9-15-13(11-14)7-4-10-17-1 5/h1-11H,(H,18,19); WQBDHSKBYRWNNN-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3; O=C(Nc 1ccc2ncccc2c1)c3ccccc3 |
~{N}-quinolin-6-ylbenzamide |
| 32695 |  LWE CHEMBL2268548 ZINC000000967523 |
1 | C10 H18 O | InChI=1S/C10H18O/c1-7(2)9 -5-4-8(3)6-10(9)11/h7-9H, 4-6H2,1-3H3/t8-,9+/m0/s1; NFLGAXVYCFJBMK-DTWKUNHWSA-N |
CC(C)[C@H]1CC[C@H](C)CC1=O; C[C@H]1CC[C@ @H](C(=O)C1)C(C)C; CC1CCC(C(=O)C1)C(C)C; CC(C)[CH]1CC[CH](C)CC1=O |
(+)-menthone |
| 32696 |  LWF ZINC000076594660 |
0 | C7 H10 F2 O2 | InChI=1S/C7H10F2O2/c8-7(9 )3-1-2-5(4-7)6(10)11/h5H, 1-4H2,(H,10,11)/t5-/m1/s1; GSVZSOJKYXYXAX-RXMQYKEDSA-N |
C1C[C@H](CC(C1)(F)F)C(=O)O; C1CC(CC(C1)( F)F)C(=O)O; OC(=O)[CH]1CCCC(F)(F)C1; OC( =O)[C@@H]1CCCC(F)(F)C1 |
(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid |
| 32697 |  LWG CHEMBL583144 ZINC000044717144 |
1 | C10 H4 Cl2 N2 O S | InChI=1S/C10H4Cl2N2OS/c11 -4-1-2-5(12)8-6(4)7-9(16- 8)10(15)14-3-13-7/h1-3H,( H,13,14,15); DJUSDFVEBBYFFL-UHFFFAOYSA-N |
Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2; Clc1ccc( Cl)c2c1sc3C(=O)NC=Nc23; c1cc(c2c(c1Cl)c3 c(s2)C(=O)NC=N3)Cl |
6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| 32698 |  LWH CHEMBL1234108 ZINC000058639130 |
1 | C21 H20 N6 O | InChI=1S/C21H20N6O/c28-19 -6-5-13(17-8-10-23-27-17) 11-16(19)21-25-18-4-2-1-3 -15(18)20(26-21)24-14-7-9 -22-12-14/h1-6,8,10-11,14 ,22,28H,7,9,12H2,(H,23,27 )(H,24,25,26)/t14-/m0/s1; DZNFGQDAMCNMLC-AWEZNQCLSA-N |
c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4 )NC5CCNC5; Oc1ccc(cc1c2nc(N[CH]3CCNC3)c4 ccccc4n2)c5[nH]ncc5; Oc1ccc(cc1c2nc(N[C@ H]3CCNC3)c4ccccc4n2)c5[nH]ncc5; n1c(nc3c (c1NC2CCNC2)cccc3)c5cc(c4ccnn4)ccc5O; c1 ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N [C@H]5CCNC5 |
4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol |
| 32699 |  LWI ZINC000004241964 |
0 | C10 H14 N2 O2 | InChI=1S/C10H14N2O2/c11-6 -8-4-2-1-3-7(8)5-9(12)10( 13)14/h1-4,9H,5-6,11-12H2 ,(H,13,14)/t9-/m0/s1; RDAKEAJYLGZEEA-VIFPVBQESA-N |
NC(Cc1ccccc1CN)C(O)=O; c1ccc(c(c1)C[C@@H ](C(=O)O)N)CN; NCc1ccccc1C[C@H](N)C(O)=O ; NCc1ccccc1C[CH](N)C(O)=O; c1ccc(c(c1)C C(C(=O)O)N)CN |
2-(aminomethyl)-L-phenylalanine |
| 32700 |  LWJ CHEMBL3907479 DB12903 ZINC000098209140 |
2 | C20 H16 N6 O | InChI=1S/C20H16N6O/c1-11- 23-16-7-6-13(9-17(16)24-1 1)26-20(21)14(10-22-26)19 (27)18-8-12-4-2-3-5-15(12 )25-18/h2-10,25H,21H2,1H3 ,(H,23,24); BEMNJULZEQTDJY-UHFFFAOYSA-N |
Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5c cccc5[nH]4)N; Cc1[nH]c2cc(ccc2n1)n3ncc(c 3N)C(=O)c4[nH]c5ccccc5c4; O=C(c1c(N)n(nc 1)c3cc2nc(nc2cc3)C)c5cc4ccccc4n5 |
[5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone |
| 32701 |  LWK |
4 | C25 H27 N3 O3 | InChI=1S/C25H27N3O3/c29-2 3-9-8-22(24(30)26-23)28-1 6-20-14-19(6-7-21(20)25(2 8)31)18-10-12-27(13-11-18 )15-17-4-2-1-3-5-17/h1-7, 14,18,22H,8-13,15-16H2,(H ,26,29,30)/t22-/m0/s1; OMISHRJQMYQPMG-QFIPXVFZSA-N |
O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2 ccccc2)CC1; c1ccc(cc1)CN2CCC(CC2)c3ccc4c (c3)CN(C4=O)C5CCC(=O)NC5=O; O=C1CC[CH](N 2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O )N1; c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN( C4=O)[C@H]5CCC(=O)NC5=O; O=C1CC[C@H](N2C c3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N 1 |
(3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione |
| 32702 |  LWL |
4 | C11 H17 N4 O | InChI=1S/C11H16N4O/c1-15( 2,3)9-11(16)14-13-8-10-6- 4-5-7-12-10/h4-8H,9H2,1-3 H3/p+1; DQSNXLQZLFKDAM-UHFFFAOYSA-O |
C[N+](C)(C)CC(=O)NN=Cc1ccccn1; C[N+](C)( C)CC(=O)N/N=C/c1ccccn1 |
N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium; ~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide |
| 32703 |  LWM ZINC000058633690 |
0 | C11 H18 N5 O7 P | InChI=1S/C11H18N5O7P/c12- 11-15-9(8(13-4-17)10(19)1 6-11)14-6-1-5(7(18)2-6)3- 23-24(20,21)22/h4-7,18H,1 -3H2,(H,13,17)(H2,20,21,2 2)(H4,12,14,15,16,19)/t5- ,6-,7+/m1/s1; UQRLPMGPCBTFTR-QYNIQEEDSA-N |
C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2 )N)NC=O; O=C1C(NC=O)=C(N=C(N)N1)NC2CC(CO P(=O)(O)O)C(O)C2; NC1=NC(=C(NC=O)C(=O)N1 )N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2 ; C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC 2=C(C(=O)NC(=N2)N)NC=O; NC1=NC(=C(NC=O)C (=O)N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O) C2 |
[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| 32704 |  LWN CHEMBL3988766 |
1 | C15 H14 F2 N6 O2 | InChI=1S/C15H14F2N6O2/c1- 23-14-9(6-19-23)13(18-7-1 2(24)25-2)21-15(22-14)20- 8-3-4-10(16)11(17)5-8/h3- 6H,7H2,1-2H3,(H2,18,20,21 ,22); IIDIQDPMMHWKNL-UHFFFAOYSA-N |
Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(= O)OC; COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n (C)ncc13 |
methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate |
| 32705 |  LWO CHEMBL2442059 ZINC000096940059 |
1 | C20 H19 N5 O S | InChI=1S/C20H19N5OS/c1-21 -16-6-8-17(9-7-16)24(12-1 5-10-11-27-14-15)20(26)13 -25-19-5-3-2-4-18(19)22-2 3-25/h2-11,14,21H,12-13H2 ,1H3; RMLYDSUPMGBCJP-UHFFFAOYSA-N |
CNc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4n n3; O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc( NC)cc1; CNc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3n nc4ccccc34 |
2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide |
| 32706 |  LWQ CHEMBL409247 ZINC000003986163 |
0 | C27 H23 N5 O2 | InChI=1S/C27H21N5O2/c1-31 -16-20(14-18-8-3-5-12-24( 18)31)28-26(33)22-10-7-11 -23(30-22)27(34)29-21-15- 19-9-4-6-13-25(19)32(2)17 -21/h3-17H,1-2H3/p+2; KPOOEJJPTYXNTN-UHFFFAOYSA-P |
C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O )Nc4cc5ccccc5[n+](c4)C; C[n+]1cc(NC(=O)c 2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5c cccc15 |
~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide |
| 32707 |  LWR |
3 | C53 H84 N2 O13 | InChI=1S/C53H84N2O13/c1-1 2-66-54-41-31-45(35(5)28- 39-22-24-43(56)46(29-39)6 4-10)67-52(61)42-20-16-17 -25-55(42)51(60)50(59)53( 62)38(8)21-23-40(68-53)30 -44(63-9)33(3)19-15-13-14 -18-32(2)26-36(6)47(57)49 (65-11)48(58)37(7)27-34(4 1)4/h13-15,18-19,27,32,34 -36,38-40,42-46,48-49,56, 58,62H,12,16-17,20-26,28- 31H2,1-11H3/b15-13+,18-14 +,33-19+,37-27+,54-41-/t3 2-,34-,35-,36-,38-,39+,40 +,42+,43-,44+,45+,46-,48- ,49+,53-/m1/s1; IXUFGPUKUHVQKU-PMNVLHNXSA-N |
CCO/N=C\1/C[C@H](OC(=O)[C@@H]2CCCCN2C(=O )C(=O)[C@]3([C@@H](CC[C@H](O3)C[C@@H](/C (=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@ @H](/C(=C/[C@H]1C)/C)O)OC)C)C)/C)OC)C)O) [C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O; CCON=C1C[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O) [C]3(O)O[CH](CC[CH]3C)C[CH](OC)C(=CC=CC= C[CH](C)C[CH](C)C(=O)[CH](OC)[CH](O)C(=C [CH]1C)C)C)[CH](C)C[CH]4CC[CH](O)[CH](C4 )OC; CCON=C1CC(OC(=O)C2CCCCN2C(=O)C(=O)C 3(C(CCC(O3)CC(C(=CC=CC=CC(CC(C(=O)C(C(C( =CC1C)C)O)OC)C)C)C)OC)C)O)C(C)CC4CCC(C(C 4)OC)O; OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCC N2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC( C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=N\OCC) /C1)CCC2C; CCO\N=C/1C[C@H](OC(=O)[C@@H]2 CCCCN2C(=O)C(=O)[C@]3(O)O[C@@H](CC[C@H]3 C)C[C@H](OC)C(=C\C=C\C=C\[C@@H](C)C[C@@H ](C)C(=O)[C@H](OC)[C@H](O)/C(=C/[C@H]/1C )C)\C)[C@H](C)C[C@@H]4CC[C@@H](O)[C@@H]( C4)OC |
(3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone |
| 32708 |  LWS CHEMBL4534216 ZINC000230473005 |
1 | C15 H15 F N2 O | InChI=1S/C15H15FN2O/c1-15 (2)10-7-9(12-5-4-6-18(12) 3)8-11(16)13(10)17-14(15) 19/h4-8H,1-3H3,(H,17,19); HNCQSUFMNDUIEX-UHFFFAOYSA-N |
Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2; CC1( c2cc(cc(c2NC1=O)F)c3cccn3C)C |
7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one |
| 32709 |  LWT |
1 | C18 H19 Cl N2 O2 S | InChI=1S/C18H19ClN2O2S/c1 9-16-7-2-1-4-14(16)18-13- 6-3-5-12(13)15-10-11(24(2 0,22)23)8-9-17(15)21-18/h 1-2,4,7-10,12-13,18,21H,3 ,5-6H2,(H2,20,22,23)/t12- ,13+,18-/m0/s1; OHOLRUMFOHOXGB-JCGVRSQUSA-N |
N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CCC[C@@ H]3c2c1)c4ccccc4Cl; c1ccc(c(c1)C2C3CCCC3 c4cc(ccc4N2)S(=O)(=O)N)Cl; c1ccc(c(c1)[C @@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)( =O)N)Cl; N[S](=O)(=O)c1ccc2N[CH]([CH]3CC C[CH]3c2c1)c4ccccc4Cl |
4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
| 32710 |  LWU |
1 | C19 H20 N5 O3 | InChI=1S/C19H19N5O3/c25-1 7(13-24-9-5-2-6-10-24)23- 20-12-15-11-16(19(26)27)2 2-18(21-15)14-7-3-1-4-8-1 4/h1-11,19-20,26-27H,12-1 3H2/p+1; JPVVLHGFGWJHHI-UHFFFAOYSA-O |
c1ccc(cc1)c2nc(cc(n2)C(O)O)CNNC(=O)C[n+] 3ccccc3; OC(O)c1cc(CNNC(=O)C[n+]2ccccc2) nc(n1)c3ccccc3 |
1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium; ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide |
| 32711 |  LWV CHEMBL1333997 ZINC000000152601 |
3 | C10 H14 N2 O | InChI=1S/C10H14N2O/c11-9- 3-1-2-4-10(9)12-5-7-13-8- 6-12/h1-4H,5-8,11H2; QKWLVAYDAHQMLG-UHFFFAOYSA-N |
c1ccc(c(c1)N)N2CCOCC2; Nc1ccccc1N2CCOCC2 | 2-morpholin-4-ylaniline |
| 32712 |  LWW CHEMBL2419503 ZINC000095920881 |
2 | C21 H17 N3 O3 S | InChI=1S/C21H17N3O3S/c25- 21(20-12-16-14-22-11-10-1 9(16)24-20)23-13-15-6-8-1 8(9-7-15)28(26,27)17-4-2- 1-3-5-17/h1-12,14,24H,13H 2,(H,23,25); LGQSNALVWIMFPP-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc 4cnccc4[nH]3; O=C(NCc1ccc(cc1)[S](=O)(=O )c2ccccc2)c3[nH]c4ccncc4c3; O=S(=O)(c1cc ccc1)c2ccc(cc2)CNC(=O)c4cc3c(ccnc3)n4 |
N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide |
| 32713 |  LWX |
4 | C30 H33 Br N6 O2 | InChI=1S/C30H33BrN6O2/c1- 20-16-22(9-10-27(20)36-13 -11-35(2)12-14-36)33-30-3 2-18-21-17-25(24-7-3-4-8- 26(24)31)29(38)37(28(21)3 4-30)19-23-6-5-15-39-23/h 3-4,7-10,16-18,23H,5-6,11 -15,19H2,1-2H3,(H,32,33,3 4)/t23-/m0/s1; MMGYUMBPTKHMTO-QHCPKHFHSA-N |
Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc4c(n3)N(C(=O )C(=C4)c5ccccc5Br)C[C@@H]6CCCO6; CN1CCN( CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5) c4n3)c6ccccc6Br)cc2C; Cc1cc(ccc1N2CCN(CC 2)C)Nc3ncc4c(n3)N(C(=O)C(=C4)c5ccccc5Br) CC6CCCO6; CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C( =O)N(C[C@@H]5CCCO5)c4n3)c6ccccc6Br)cc2C |
6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one |
| 32714 |  LWY |
16 | C6 H12 N O4 P | InChI=1S/C6H12NO4P/c1-12( 10,11)7-4-2-3-5(7)6(8)9/h 5H,2-4H2,1H3,(H,8,9)(H,10 ,11)/t5-/m0/s1; IIXOSEXCIQDQTO-YFKPBYRVSA-N |
C[P](O)(=O)N1CCC[C@H]1C(O)=O; C[P](O)(=O )N1CCC[CH]1C(O)=O; C[P@](=O)(N1CCC[C@H]1 C(=O)O)O; CP(=O)(N1CCCC1C(=O)O)O |
1-[(R)-hydroxy(methyl)phosphoryl]-L-proline |
| 32715 |  LWZ |
1 | C6 H10 N4 O S2 | InChI=1S/C6H10N4OS2/c11-5 (1-6(12)13)7-2-4-3-8-10-9 -4/h3,6,12-13H,1-2H2,(H,7 ,11)(H,8,9,10); AIOYUZNWKHEZES-UHFFFAOYSA-N |
c1c(nn[nH]1)CNC(=O)CC(S)S; SC(S)CC(=O)NC c1c[nH]nn1 |
3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide |
| 32716 |  LX0 CHEMBL470084 ZINC000040395096 |
1 | C24 H24 N6 O2 | InChI=1S/C24H24N6O2/c1-14 (18-11-10-16-4-2-3-5-19(1 6)13-18)27-24-29-21(28-23 (26)30-24)17-8-6-15(7-9-1 7)12-20(25)22(31)32/h2-11 ,13-14,20H,12,25H2,1H3,(H ,31,32)(H3,26,27,28,29,30 )/t14-,20+/m1/s1; UXYOCRLZKBFANG-VLIAUNLRSA-N |
C[C@@H](Nc1nc(N)nc(n1)c2ccc(C[C@H](N)C(O )=O)cc2)c3ccc4ccccc4c3; CC(c1ccc2ccccc2c 1)Nc3nc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N; C [C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc (cc4)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc4ccc( c1nc(nc(n1)NC(c3cc2ccccc2cc3)C)N)cc4; C[ CH](Nc1nc(N)nc(n1)c2ccc(C[CH](N)C(O)=O)c c2)c3ccc4ccccc4c3 |
4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine |
| 32717 |  LX1 ZINC000006494205 |
4 | C5 H13 O7 P | InChI=1S/C5H13O7P/c1-3(6) 5(8)4(7)2-12-13(9,10)11/h 3-8H,2H2,1H3,(H2,9,10,11) /t3-,4+,5+/m1/s1; YPXGTKHZRCDZTL-WISUUJSJSA-N |
O=P(O)(O)OCC(O)C(O)C(O)C; CC(C(C(COP(=O) (O)O)O)O)O; C[C@H]([C@@H]([C@H](COP(=O)( O)O)O)O)O; C[C@@H](O)[C@H](O)[C@@H](O)CO [P](O)(O)=O; C[CH](O)[CH](O)[CH](O)CO[P] (O)(O)=O |
L-XYLULOSE 5-PHOSPHATE |
| 32718 |  LX2 CHEMBL446208 ZINC000039716198 |
2 | C35 H32 Cl F3 N2 O3 | InChI=1S/C35H32ClF3N2O3/c 36-34-27(14-7-15-30(34)35 (37,38)39)22-40(23-29(25- 10-3-1-4-11-25)26-12-5-2- 6-13-26)19-9-21-44-32-17- 8-16-31-28(32)18-20-41(31 )24-33(42)43/h1-8,10-18,2 0,29H,9,19,21-24H2,(H,42, 43); RHWNXOWPCIQOAH-UHFFFAOYSA-N |
c1ccc(cc1)C(CN(CCCOc2cccc3c2ccn3CC(=O)O) Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5; c1ccc(cc 1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cc cc(c4Cl)C(F)(F)F)c5ccccc5; OC(=O)Cn1ccc2 c(OCCCN(CC(c3ccccc3)c4ccccc4)Cc5cccc(c5C l)C(F)(F)F)cccc12; FC(F)(F)c1cccc(c1Cl)C N(CC(c2ccccc2)c3ccccc3)CCCOc4cccc5c4ccn5 CC(=O)O |
[4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid |
| 32719 |  LX3 CHEMBL4203464 |
1 | C28 H42 O3 | InChI=1S/C28H42O3/c1-5-6- 13-23(15-16-24-19-26(29)2 0-27(30)21(24)2)25-14-10- 12-22(18-25)11-8-7-9-17-2 8(3,4)31/h10,12,14-16,18, 26-27,29-31H,2,5-9,11,13, 17,19-20H2,1,3-4H3/b23-15 +,24-16-/t26-,27+/m1/s1; UWAWDTCFOCGFNY-NTWKYLMFSA-N |
CCCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC CCC(C)(C)O; CCCC\C(=C/C=C\1C[C@@H](O)C[C @H](O)C\1=C)c2cccc(CCCCCC(C)(C)O)c2; CCC C/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2 cccc(c2)CCCCCC(C)(C)O; CCCCC(=CC=C1C[CH] (O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2 |
(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol |
| 32720 |  LX4 CHEMBL1584433 ZINC000000359210 |
1 | C10 H16 N2 O2 | InChI=1S/C10H16N2O2/c13-9 -7-12(6-5-11-9)10(14)8-3- 1-2-4-8/h8H,1-7H2,(H,11,1 3); UOBXMAPJTCMNSY-UHFFFAOYSA-N |
O=C1CN(CCN1)C(=O)C2CCCC2; C1CCC(C1)C(=O) N2CCNC(=O)C2 |
4-cyclopentylcarbonylpiperazin-2-one |
| 32721 |  LX5 |
4 | C6 H12 O7 S | InChI=1S/C6H12O7S/c7-2-3- 5(13-14(10,11)12)1-4(8)6( 3)9/h3-9H,1-2H2,(H,10,11, 12)/t3-,4+,5+,6+/m1/s1; WLWVVBPJYHXDMI-VANKVMQKSA-N |
OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O ; OC[C@H]1[C@H](O)[C@@H](O)C[C@@H]1O[S]( O)(=O)=O; C1[C@@H]([C@H]([C@@H]([C@H]1OS (=O)(=O)O)CO)O)O; C1C(C(C(C1OS(=O)(=O)O) CO)O)O |
[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
| 32722 |  LX6 CHEMBL1632047 ZINC000000126979 |
2 | C9 H10 N2 S | InChI=1S/C9H10N2S/c10-5-7 -6-3-1-2-4-8(6)12-9(7)11/ h1-4,11H2; ADHVMGAFAKSNOM-UHFFFAOYSA-N |
Nc1sc2CCCCc2c1C#N; N#Cc1c2CCCCc2sc1N; C1 CCc2c(c(c(s2)N)C#N)C1 |
2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| 32723 |  LX7 ZINC000000102761 |
4 | C8 H7 F3 N2 O S | InChI=1S/C8H7F3N2OS/c9-8( 10,11)14-6-3-1-5(2-4-6)13 -7(12)15/h1-4H,(H3,12,13, 15); UCOXNOVULREFCO-UHFFFAOYSA-N |
NC(=S)Nc1ccc(OC(F)(F)F)cc1; c1cc(ccc1NC( =S)N)OC(F)(F)F |
1-[4-(trifluoromethyloxy)phenyl]thiourea |
| 32724 |  LX8 CHEMBL3577084 ZINC000001558484 |
1 | C21 H24 O5 | InChI=1S/C21H24O5/c1-7-20 (3,4)15-9-13-8-14-10-18(2 1(5,6)26-12(2)22)24-16(14 )11-17(13)25-19(15)23/h7- 9,11,18H,1,10H2,2-6H3/t18 -/m0/s1; AWMHMGFGCLBSAY-SFHVURJKSA-N |
CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O )C(=C3)C(C)(C)C=C; CC(=O)OC(C)(C)C1Cc2cc 3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C; CC(=O)O C(C)(C)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C( C)(C)C=C; O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=C c1cc2C3)C(/C=C)(C)C)C; CC(=O)OC(C)(C)[CH ]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C |
2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate |
| 32725 |  LX9 CHEMBL597839 ZINC000044460344 |
1 | C26 H21 N5 O | InChI=1S/C26H21N5O/c27-25 -23(19-6-7-22-20(12-19)9- 11-29-26(22)32)15-31(30-2 5)21-3-1-2-17(13-21)18-5- 4-16-8-10-28-24(16)14-18/ h1-8,10,12-15,28H,9,11H2, (H2,27,30)(H,29,32); ZTKOUSVWVUFWQC-UHFFFAOYSA-N |
c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4= O)c5ccc6cc[nH]c6c5; Nc1nn(cc1c2ccc3C(=O) NCCc3c2)c4cccc(c4)c5ccc6cc[nH]c6c5 |
6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one |
| 32726 |  LXA CHEMBL1409021 ZINC000000200675 |
10 | C11 H13 N3 O2 | InChI=1S/C11H13N3O2/c1-16 -7-11(15)12-6-10-13-8-4-2 -3-5-9(8)14-10/h2-5H,6-7H 2,1H3,(H,12,15)(H,13,14); LZINBAGZNCYRNQ-UHFFFAOYSA-N |
COCC(=O)NCc1[nH]c2ccccc2n1 | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide |
| 32727 |  LXB ZINC000000901459 |
0 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5-,6+,7 +,8-/m1/s1; OVRNDRQMDRJTHS-QQGCVABSSA-N |
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1 O; CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H]( O)[C@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C; C C(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@@H] 1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O |
2-acetamido-2-deoxy-beta-D-gulopyranose; N-acetyl-beta-D-gulosamine; 2-acetamido-2-deoxy-beta-D-gulose; 2-acetamido-2-deoxy-D-gulose; 2-acetamido-2-deoxy-gulose; 2-(acetylamino)-2-deoxy-beta-D-gulopyranose |
| 32728 |  LXC ZINC000001532561 |
3 | C5 H10 O5 | InChI=1S/C5H10O5/c6-2-1-1 0-5(9)4(8)3(2)7/h2-9H,1H2 /t2-,3+,4-,5-/m0/s1; SRBFZHDQGSBBOR-QTBDOELSSA-N |
C1C(C(C(C(O1)O)O)O)O; C1[C@@H]([C@H]([C@ @H]([C@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH ](O)[CH]1O; O[C@H]1CO[C@H](O)[C@@H](O)[C @@H]1O; OC1C(O)COC(O)C1O |
beta-L-xylopyranose; beta-L-xylose; L-xylose; xylose; L-XYLOSE (CYCLIC FORM) |
| 32729 |  LXD CHEMBL5218642 |
1 | C30 H37 N9 O2 S | InChI=1S/C30H37N9O2S/c1-5 -25(40)38-12-10-37(11-13- 38)20-15-22(33-24(16-20)3 9-14-9-36(4)18-19(39)2)28 -34-29(41-35-28)30(3)8-6- 7-23-26(30)21(17-31)27(32 )42-23/h5,15-16,19H,1,6-1 4,18,32H2,2-4H3/t19-,30-/ m0/s1; CKAMBYUZKWQCKJ-ADSBAMQRSA-N |
C[C@H]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C@@ ]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O) C=C; C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3) [C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(= O)C=C; CC1CN(CCN1c2cc(cc(n2)c3nc(on3)C4( CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O)C=C )C; C[C@H]1CN(CCN1c2cc(cc(n2)c3nc(on3)[C @]4(CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O )C=C)C |
(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
| 32730 |  LXE |
4 | C6 H14 N O3 | InChI=1S/C6H13NO3/c7-4-1- 5(9)6(10)3(4)2-8/h3-6,8-1 0H,1-2,7H2/p+1/t3-,4+,5+, 6+/m1/s1; XJKPQBOZNVQXOP-VANKVMQKSA-O |
C1C(C(C(C1O)O)CO)[NH3+]; [NH3+][CH]1C[CH ](O)[CH](O)[CH]1CO; C1[C@@H]([C@H]([C@@H ]([C@H]1O)O)CO)[NH3+]; [NH3+][C@H]1C[C@H ](O)[C@@H](O)[C@@H]1CO |
[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium |
| 32731 |  LXF |
1 | C17 H17 N3 O3 S2 | InChI=1S/C17H17N3O3S2/c1- 12(21)19-17-20-16-14(24-1 7)8-5-9-15(16)25(22,23)18 -11-10-13-6-3-2-4-7-13/h2 -9,18H,10-11H2,1H3,(H,19, 20,21); UNUUEHGQHLOCFZ-UHFFFAOYSA-N |
CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3cc ccc3; CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCC c3ccccc3; O=S(=O)(NCCc1ccccc1)c1cccc2sc( nc12)NC(C)=O |
N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide |
| 32732 |  LXG CHEMBL576387 ZINC000044715907 |
1 | C18 H19 N3 O S | InChI=1S/C18H19N3OS/c1-21 (2)10-15-19-16-13-9-12(6- 5-11-3-4-11)7-8-14(13)23- 17(16)18(22)20-15/h5-9,11 H,3-4,10H2,1-2H3,(H,19,20 ,22)/b6-5+; CPHAAKSWOQSYIW-AATRIKPKSA-N |
CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)C=CC4CC4 ; CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C 4CC4; CN(C)CC1=Nc2c(sc3ccc(C=CC4CC4)cc23 )C(=O)N1; CN(C)CC1=Nc2c(sc3ccc(/C=C/C4CC 4)cc23)C(=O)N1; O=C2NC(=Nc1c4c(sc12)ccc( /C=C/C3CC3)c4)CN(C)C |
8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| 32733 |  LXH ZINC000037624047 |
2 | C10 H12 O2 | InChI=1S/C10H12O2/c1-8(10 (11)12-2)9-6-4-3-5-7-9/h3 -8H,1-2H3/t8-/m0/s1; DZIQUZJSNSZOCH-QMMMGPOBSA-N |
C[C@@H](c1ccccc1)C(=O)OC; COC(=O)[CH](C) c1ccccc1; CC(c1ccccc1)C(=O)OC; COC(=O)[C @@H](C)c1ccccc1 |
methyl (2~{S})-2-phenylpropanoate |
| 32734 |  LXI |
0 | C13 H17 N8 O6 P S | InChI=1S/C13H17N8O6PS/c14 -12-18-9-6(10(24)19-12)17 -4-20(9)11-8(23)7(22)5(27 -11)3-26-28(25,29)21-2-1- 16-13(21)15/h1-2,4-5,7-8, 11,22-23H,3H2,(H2,15,16)( H,25,29)(H3,14,18,19,24)/ t5-,7-,8-,11-,28-/m1/s1; KURJQYGWAXZKPO-RMPAVHDKSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S) (=O)n4ccnc4N)[CH](O)[CH]3O; NC1=Nc2n(cnc 2C(=O)N1)[C@@H]3O[C@H](CO[P@](S)(=O)n4cc nc4N)[C@@H](O)[C@H]3O; c1cn(c(n1)N)[P@@] (=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cn c4c3N=C(NC4=O)N)O)O)S; Nc1nccn1P(=O)(S)O CC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O; c1cn( c(n1)N)P(=O)(OCC2C(C(C(O2)n3cnc4c3N=C(NC 4=O)N)O)O)S |
5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine |
| 32735 |  LXJ |
1 | C15 H16 N2 O2 | InChI=1S/C15H16N2O2/c18-1 4-13-7-9-17(8-6-12(13)10- 16-14)15(19)11-4-2-1-3-5- 11/h1-6,8,12-13H,7,9-10H2 ,(H,16,18)/t12-,13+/m1/s1; KCUQXPDGHOUBAD-OLZOCXBDSA-N |
O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3; O=C1NC[C@H]2C=CN(CC[C@H]12)C(=O)c3ccccc3 ; c1ccc(cc1)C(=O)N2CCC3C(CNC3=O)C=C2; c1 ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C 2 |
(3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one |
| 32736 |  LXK CHEMBL5219175 |
1 | C11 H14 N2 S | InChI=1S/C11H14N2S/c1-11( 2)5-3-4-8-9(11)7(6-12)10( 13)14-8/h3-5,13H2,1-2H3; RANGIXHAOGTFIH-UHFFFAOYSA-N |
CC1(C)CCCc2sc(N)c(C#N)c12; CC1(CCCc2c1c( c(s2)N)C#N)C |
2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
| 32737 |  LXL CHEMBL552212 ZINC000043024000 |
2 | C24 H30 N6 O2 | InChI=1S/C24H30N6O2/c1-5- 8-19(18-9-7-12-25-15-18)2 8-22-16(3)14-27-23(30-22) 17-10-11-20(21(13-17)32-4 )29-24(31)26-6-2/h7,9-15, 19H,5-6,8H2,1-4H3,(H2,26, 29,31)(H,27,28,30)/t19-/m 0/s1; MTJHLONVHHPNSI-IBGZPJMESA-N |
CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c 3)OC)NC(=O)NCC)C; CCC[CH](Nc1nc(ncc1C)c2 ccc(NC(=O)NCC)c(OC)c2)c3cccnc3; CCCC(c1c ccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NC C)C; CCC[C@H](Nc1nc(ncc1C)c2ccc(NC(=O)NC C)c(OC)c2)c3cccnc3; CCNC(=O)Nc1ccc(cc1OC )c2ncc(C)c(n2)NC(CCC)c3cnccc3 |
1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea; Lexibulin |
| 32738 |  LXM |
1 | C18 H17 N O3 | InChI=1S/C18H17NO3/c20-11 -13-10-19(18(21)12-6-2-1- 3-7-12)16-14-8-4-5-9-15(1 4)22-17(13)16/h1-9,13,16- 17,20H,10-11H2/t13-,16-,1 7-/m0/s1; VKQHNAPJGDBELB-JQFCIGGWSA-N |
OC[C@@H]1CN([C@@H]2[C@H]1Oc3ccccc23)C(=O )c4ccccc4; c1ccc(cc1)C(=O)N2C[C@H]([C@H] 3[C@@H]2c4ccccc4O3)CO; OC[CH]1CN([CH]2[C H]1Oc3ccccc23)C(=O)c4ccccc4; c1ccc(cc1)C (=O)N2CC(C3C2c4ccccc4O3)CO |
[(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone |
| 32739 |  LXN CHEMBL1096009 ZINC000001631379 |
2 | C4 H2 N2 O4 | InChI=1S/C4H2N2O4/c7-1-2( 8)5-4(10)6-3(1)9/h(H2,5,6 ,8,9,10); HIMXGTXNXJYFGB-UHFFFAOYSA-N |
O=C1C(=O)NC(=O)NC1=O; O=C1NC(=O)C(=O)C(= O)N1; C1(=O)C(=O)NC(=O)NC1=O |
ALLOXAN; MESOXALYLUREA |
| 32740 |  LXO |
4 | C9 H12 N2 O2 | InChI=1S/C9H12N2O2/c12-9( 13)2-1-5-11-8-3-6-10-7-4- 8/h3-4,6-7H,1-2,5H2,(H,10 ,11)(H,12,13); HPDCDJWQNLPXFS-UHFFFAOYSA-N |
c1cnccc1NCCCC(=O)O; OC(=O)CCCNc1ccncc1 | 4-(pyridin-4-ylamino)butanoic acid |
| 32741 |  LXP DB02630 |
2 | C5 H13 O8 P | InChI=1S/C5H13O8P/c6-1-3( 7)5(9)4(8)2-13-14(10,11)1 2/h3-9H,1-2H2,(H2,10,11,1 2)/t3-,4+,5+/m1/s1; VJDOAZKNBQCAGE-WISUUJSJSA-N |
C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O ; C(C(C(C(COP(=O)(O)O)O)O)O)O; OC[CH](O) [CH](O)[CH](O)CO[P](O)(O)=O; OC[C@@H](O) [C@H](O)[C@@H](O)CO[P](O)(O)=O; O=P(O)(O )OCC(O)C(O)C(O)CO |
L-XYLITOL 5-PHOSPHATE |
| 32742 |  LXQ ZINC000019686084 |
2 | C7 H11 N O3 | InChI=1S/C7H11NO3/c1-5(9) 8-3-2-6(4-8)7(10)11/h6H,2 -4H2,1H3,(H,10,11)/t6-/m1 /s1; FEQQMBBBBFVNMN-ZCFIWIBFSA-N |
CC(=O)N1CCC(C1)C(=O)O; CC(=O)N1CC[CH](C1 )C(O)=O; CC(=O)N1CC[C@H](C1)C(=O)O; CC(= O)N1CC[C@H](C1)C(O)=O |
(3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid |
| 32743 |  LXR |
0 | C13 H17 N8 O6 P | InChI=1S/C13H17N8O6P/c14- 10-7-11(18-4-17-10)20(5-1 9-7)12-9(23)8(22)6(27-12) 3-26-28(24,25)21-2-1-16-1 3(21)15/h1-2,4-6,8-9,12,2 2-23H,3H2,(H2,15,16)(H,24 ,25)(H2,14,17,18)/t6-,8-, 9-,12-/m1/s1; VRUNWCWGNRYOCC-WOUKDFQISA-N |
c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c 3ncnc4N)O)O; Nc1nccn1P(=O)(O)OCC1OC(n2cn c3c(N)ncnc32)C(O)C1O; Nc1nccn1[P](O)(=O) OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c( N)ncnc34; c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[ C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O; Nc1nccn1[P](O)(=O)OC[CH]2O[CH]([CH](O)[ CH]2O)n3cnc4c(N)ncnc34 |
5'-O-[(S)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]adenosine |
| 32744 |  LXS |
2 | C15 H16 N2 O4 | InChI=1S/C15H16N2O4/c1-2- 16-10(18)7-17(15(16)20)11 -12(19)14-9-6-4-3-5-8(9)1 3(11)21-14/h3-6,11-14,19H ,2,7H2,1H3/t11-,12-,13-,1 4+/m0/s1; GHZIAZMBFWRVPL-XDQVBPFNSA-N |
CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[ C@H]([C@H]2O)O3; CCN1C(=O)CN([C@H]2[C@H] (O)[C@@H]3O[C@H]2c4ccccc34)C1=O; CCN1C(= O)CN(C1=O)C2C3c4ccccc4C(C2O)O3; CCN1C(=O )CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1= O |
3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione |
| 32745 |  LXT ZINC000066157031 |
4 | C38 H44 N4 O3 | InChI=1S/C38H44N4O3/c1-28 -17-19-32(20-18-28)27-40- 37(44)34(25-22-30-13-7-3- 8-14-30)42-38(45)35(26-23 -31-15-9-4-10-16-31)41-36 (43)33(39)24-21-29-11-5-2 -6-12-29/h2-20,33-35H,21- 27,39H2,1H3,(H,40,44)(H,4 1,43)(H,42,45)/t33-,34-,3 5-/m0/s1; GHNMGCXFOUDURA-IMKBVMFZSA-N |
Cc1ccc(CNC(=O)[CH](CCc2ccccc2)NC(=O)[CH] (CCc3ccccc3)NC(=O)[CH](N)CCc4ccccc4)cc1; Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C( CCc3ccccc3)NC(=O)C(CCc4ccccc4)N; Cc1ccc( cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]( CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N; Cc1 ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H]( CCc3ccccc3)NC(=O)[C@@H](N)CCc4ccccc4)cc1 ; O=C(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C)CCc2 ccccc2)CCc3ccccc3)C(N)CCc4ccccc4 |
(2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide |
| 32746 |  LXU CHEMBL5219570 |
2 | C18 H17 N5 O S | InChI=1S/C18H17N5OS/c1-18 (8-2-3-13-14(18)12(9-19)1 5(21)25-13)17-22-16(23-24 -17)10-4-6-11(20)7-5-10/h 4-7H,2-3,8,20-21H2,1H3/t1 8-/m0/s1; OTYSTCZFARVMKT-SFHVURJKSA-N |
C[C@@]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4c cc(N)cc4; C[C]1(CCCc2sc(N)c(C#N)c12)c3on c(n3)c4ccc(N)cc4; CC1(CCCc2c1c(c(s2)N)C# N)c3nc(no3)c4ccc(cc4)N; C[C@@]1(CCCc2c1c (c(s2)N)C#N)c3nc(no3)c4ccc(cc4)N |
(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
| 32747 |  LXV |
1 | C12 H15 Br2 N3 O2 S | InChI=1S/C12H15Br2N3O2S/c 1-8-4-10(6-17(8)7-15)16-2 0(18,19)12-5-9(13)2-3-11( 12)14/h2-3,5,7-8,10,15-16 H,4,6H2,1H3/b15-7+/t8-,10 +/m0/s1; HCQNBMQEPLAEIJ-NCAHPRJNSA-N |
[H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2 cc(ccc2Br)Br; C[CH]1C[CH](CN1C=N)N[S](=O )(=O)c2cc(Br)ccc2Br; C[C@H]1C[C@H](CN1C= N)N[S](=O)(=O)c2cc(Br)ccc2Br; CC1CC(CN1C =N)NS(=O)(=O)c2cc(ccc2Br)Br; Brc1cc(c(Br )cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C |
2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide |
| 32748 |  LXW CHEMBL4594624 |
2 | C26 H28 N4 O2 | InChI=1S/C26H28N4O2/c27-2 4(23(20-8-3-1-4-9-20)21-1 0-5-2-6-11-21)26(32)30-17 -7-12-22(30)25(31)29-18-1 9-13-15-28-16-14-19/h1-6, 8-11,13-16,22-24H,7,12,17 -18,27H2,(H,29,31)/t22-,2 4+/m0/s1; DPXLHPWLQSWEQB-LADGPHEKSA-N |
c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O) NCc4ccncc4)N; c1ccc(cc1)C(c2ccccc2)[C@H] (C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N; N[C@ H](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[C@H]3C (=O)NCc4ccncc4; N[CH](C(c1ccccc1)c2ccccc 2)C(=O)N3CCC[CH]3C(=O)NCc4ccncc4 |
(2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide |
| 32749 |  LXX CHEMBL1234114 ZINC000051768785 |
1 | C20 H13 N5 | InChI=1S/C20H13N5/c1-2-19 -18(17(5-8-22-19)13-3-6-2 1-7-4-13)10-14(1)15-9-16- 12-24-25-20(16)23-11-15/h 1-12H,(H,23,24,25); PYHJWHYHRSDRDJ-UHFFFAOYSA-N |
c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccnc c5; [nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc 5)c4c3 |
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline |
| 32750 |  LXY CHEMBL4865238 |
4 | C24 H19 F8 N5 O3 S | InChI=1S/C24H19F8N5O3S/c1 -12-18(26)7-20(37(12)41(3 9,40)16-4-2-15(25)3-5-16) 21(38)34-8-13-6-19(33-11- 17(13)23(27,28)29)14-9-35 -22(36-10-14)24(30,31)32/ h2-6,9-12,18,20H,7-8H2,1H 3,(H,34,38)/t12-,18+,20-/ m0/s1; RGXNECXVRZKGGH-UOXRKKOCSA-N |
C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc 2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C (F)(F)F)F; CC1C(CC(N1S(=O)(=O)c2ccc(cc2) F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F )(F)F)F; CC3N(C(C(NCc2cc(c1cnc(C(F)(F)F) nc1)ncc2C(F)(F)F)=O)CC3F)S(c4ccc(cc4)F)( =O)=O; C[CH]1[CH](F)C[CH](N1[S](=O)(=O)c 2ccc(F)cc2)C(=O)NCc3cc(ncc3C(F)(F)F)c4cn c(nc4)C(F)(F)F; C[C@H]1[C@H](F)C[C@H](N1 [S](=O)(=O)c2ccc(F)cc2)C(=O)NCc3cc(ncc3C (F)(F)F)c4cnc(nc4)C(F)(F)F |
(4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide |
| 32751 |  LXZ |
0 | C8 H15 N O6 | InChI=1S/C8H15NO6/c1-3(11 )9-5-7(13)6(12)4(2-10)15- 8(5)14/h4-8,10,12-14H,2H2 ,1H3,(H,9,11)/t4-,5+,6+,7 +,8+/m1/s1; OVRNDRQMDRJTHS-LQOSVEJXSA-N |
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1 O; CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H ](O)[C@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C; CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H] 1O)CO)O)O; CC(=O)NC1C(C(C(OC1O)CO)O)O |
2-acetamido-2-deoxy-alpha-D-idopyranose; N-acetyl-alpha-D-idosamine; 2-acetamido-2-deoxy-alpha-D-idose; 2-acetamido-2-deoxy-D-idose; 2-acetamido-2-deoxy-idose; 2-(acetylamino)-2-deoxy-alpha-D-idopyranose |
| 32752 |  LY0 ZINC000025109103 |
5 | C6 H14 N O4 P | InChI=1S/C6H14NO4P/c1-4(6 (8)9)3-12(10,11)5(2)7/h4- 5H,3,7H2,1-2H3,(H,8,9)(H, 10,11)/t4-,5+/m0/s1; XXVGIEKADYFHOF-CRCLSJGQSA-N |
C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O; C[ CH](N)[P](O)(=O)C[CH](C)C(O)=O; C[C@H](N )[P](O)(=O)C[C@H](C)C(O)=O; CC(CP(=O)(C( C)N)O)C(=O)O |
(2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| 32753 |  LY1 CHEMBL38681 DB04273 |
2 | C10 H11 Cl2 N | InChI=1S/C10H11Cl2N/c11-9 -4-3-7-2-1-5-13-6-8(7)10( 9)12/h3-4,13H,1-2,5-6H2; IADAQXMUWITWNG-UHFFFAOYSA-N |
Clc1c2c(ccc1Cl)CCCNC2; Clc1ccc2CCCNCc2c1 Cl; c1cc(c(c2c1CCCNC2)Cl)Cl |
8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE |
| 32754 |  LY2 CHEMBL98350 DB02656 ZINC000000006014 |
5 | C19 H17 N O3 | InChI=1S/C19H17NO3/c21-17 -13-18(20-9-11-22-12-10-2 0)23-19-15(7-4-8-16(17)19 )14-5-2-1-3-6-14/h1-8,13H ,9-12H2; CZQHHVNHHHRRDU-UHFFFAOYSA-N |
c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4; O =C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4 |
2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE; 2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE |
| 32755 |  LY3 DB03038 ZINC000009682931 |
2 | C20 H21 N9 O4 | InChI=1S/C20H21N9O4/c21-2 0-24-16-15(18(31)25-20)12 (9-22-16)6-3-10-1-4-11(5- 2-10)17(30)23-13(19(32)33 )7-8-14-26-28-29-27-14/h1 -2,4-5,9,13H,3,6-8H2,(H,2 3,30)(H,32,33)(H,26,27,28 ,29)(H4,21,22,24,25,31)/t 13-/m0/s1; MXAFDBCLWLMXSI-ZDUSSCGKSA-N |
NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](C Cc4n[nH]nn4)C(O)=O)c2C(=O)N1; c1cc(ccc1C Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](C Cc4n[nH]nn4)C(=O)O; NC1=Nc2[nH]cc(CCc3cc c(cc3)C(=O)N[CH](CCc4n[nH]nn4)C(O)=O)c2C (=O)N1; c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N 3)N)C(=O)NC(CCc4n[nH]nn4)C(=O)O; O=C(O)C (NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N )CCc4nnnn4 |
2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID; LY341770 |
| 32756 |  LY4 CHEMBL91829 DB11829 ZINC000003812168 |
3 | C28 H28 N4 O3 | InChI=1S/C28H28N4O3/c1-30 (2)15-18-11-12-31-16-21(1 9-7-3-5-9-23(19)31)25-26( 28(34)29-27(25)33)22-17-3 2(13-14-35-18)24-10-6-4-8 -20(22)24/h3-10,16-18H,11 -15H2,1-2H3,(H,29,33,34)/ t18-/m0/s1; ZCBUQCWBWNUWSU-SFHVURJKSA-N |
CN(C)C[C@@H]1CCn2cc(c3ccccc23)C4=C(C(=O) NC4=O)c5cn(CCO1)c6ccccc56; O=C6NC(=O)C=5 c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c (c4)C=56; CN(C)C[C@@H]1CCn2cc(c3c2cccc3) C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O; CN( C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc 6)CCO1)C(=O)NC4=O; CN(C)C[CH]1CCn2cc(c3c cccc23)C4=C(C(=O)NC4=O)c5cn(CCO1)c6ccccc 56 |
(9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE; LY333531 |
| 32757 |  LY5 CHEMBL1234118 ZINC000003989289 |
9 | C16 H24 F2 N2 O4 | InChI=1S/C16H24F2N2O4/c17 -16(18)5-13(15(23)24)20(8 -16)7-9-1-2-10-6-19-12(14 (21)22)4-11(10)3-9/h9-13, 19H,1-8H2,(H,21,22)(H,23, 24)/t9-,10-,11+,12-,13-/m 0/s1; OXQXJYQSWZFDBB-WJTVCTBASA-N |
C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[ C@H]3C(=O)O)(F)F)C(=O)O; C1CC2CNC(CC2CC1 CN3CC(CC3C(=O)O)(F)F)C(=O)O; OC(=O)[CH]1 C[CH]2C[CH](CC[CH]2CN1)CN3CC(F)(F)C[CH]3 C(O)=O; OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@ H]2CN1)CN3CC(F)(F)C[C@H]3C(O)=O; FC1(CN( C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F |
(3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid; LY466195 |
| 32758 |  LY7 ZINC000000008815 |
2 | C19 H22 N2 O2 S | InChI=1S/C19H22N2O2S/c1-1 4(2)24(22,23)21-13-15(3)1 7-8-10-19(11-9-17)18-6-4- 16(12-20)5-7-18/h4-11,14- 15,21H,13H2,1-3H3/t15-/m1 /s1; HOQAVGZLYRYHSO-OAHLLOKOSA-N |
CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)c2c cc(cc2)C#N; C[C@H](CNS(=O)(=O)C(C)C)c1cc c(cc1)c2ccc(cc2)C#N; CC(C)S(=O)(=O)NCC(C )c1ccc(cc1)c2ccc(cc2)C#N; CC(C)[S](=O)(= O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N |
N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide |
| 32759 |  LY8 ZINC000034540245 |
2 | C10 H12 O2 | InChI=1S/C10H12O2/c1-8(10 (11)12-2)9-6-4-3-5-7-9/h3 -8H,1-2H3/t8-/m1/s1; DZIQUZJSNSZOCH-MRVPVSSYSA-N |
C[C@H](c1ccccc1)C(=O)OC; COC(=O)[CH](C)c 1ccccc1; CC(c1ccccc1)C(=O)OC; COC(=O)[C@ H](C)c1ccccc1 |
methyl (2~{R})-2-phenylpropanoate |
| 32760 |  LY9 ZINC000001564969 |
2 | C5 H8 O7 | InChI=1S/C5H8O7/c6-1(2(7) 4(9)10)3(8)5(11)12/h1-3,6 -8H,(H,9,10)(H,11,12)/t2- ,3-/m1/s1; NPTTZSYLTYJCPR-PWNYCUMCSA-N |
[C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O; O[C H]([CH](O)C(O)=O)[CH](O)C(O)=O; O[C@@H]( [C@@H](O)C(O)=O)[C@@H](O)C(O)=O; O=C(O)C (O)C(O)C(O)C(=O)O; C(C(C(=O)O)O)(C(C(=O) O)O)O |
L-arabinaric acid; L-Lyxarate |
| 32761 |  LYA CHEMBL225072 DB00642 ZINC000001540998 |
29 | C20 H21 N5 O6 | InChI=1S/C20H21N5O6/c21-2 0-24-16-15(18(29)25-20)12 (9-22-16)6-3-10-1-4-11(5- 2-10)17(28)23-13(19(30)31 )7-8-14(26)27/h1-2,4-5,9, 13H,3,6-8H2,(H,23,28)(H,2 6,27)(H,30,31)(H4,21,22,2 4,25,29)/t13-/m0/s1; WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[CH](CCC (O)=O)C(O)=O)c[nH]c2N1; NC1=NC(=O)c2c(CC c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c [nH]c2N1; O=C(O)C(NC(=O)c1ccc(cc1)CCc2cn c3NC(=NC(=O)c23)N)CCC(=O)O; c1cc(ccc1CCc 2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O )C(=O)O; c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C( N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID; LY231514 |
| 32762 |  LYB |
2 | C35 H42 N8 O15 | InChI=1S/C35H42N8O15/c36- 35-42-28-27(30(50)43-35)1 8(15-37-28)6-3-16-1-4-17( 5-2-16)29(49)41-22(34(57) 58)9-13-25(46)39-20(32(53 )54)7-11-23(44)38-19(31(5 1)52)8-12-24(45)40-21(33( 55)56)10-14-26(47)48/h1-2 ,4-5,15,19-22H,3,6-14H2,( H,38,44)(H,39,46)(H,40,45 )(H,41,49)(H,47,48)(H,51, 52)(H,53,54)(H,55,56)(H,5 7,58)(H4,36,37,42,43,50)/ t19-,20-,21?,22-/m0/s1; DICHBVJYDUDAIQ-QEGIFBSNSA-N |
c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O )N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](C CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O )O)C(=O)O; O=C(O)C(NC(=O)CCC(C(=O)O)NC(= O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1cc c(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O; NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](C CC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(C CC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)c2C( =O)N1; c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3 )N)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC (CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; N C1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[CH](CCC( =O)N[CH](CCC(=O)N[CH](CCC(=O)NC(CCC(O)=O )C(O)=O)C(O)=O)C(O)=O)C(O)=O)c2C(=O)N1 |
2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID; LY231514 TETRA GLU |
| 32763 |  LYC ZINC000008214943 |
97 | C40 H56 | InChI=1S/C40H56/c1-33(2)1 9-13-23-37(7)27-17-31-39( 9)29-15-25-35(5)21-11-12- 22-36(6)26-16-30-40(10)32 -18-28-38(8)24-14-20-34(3 )4/h11-12,15-22,25-32H,13 -14,23-24H2,1-10H3/b12-11 +,25-15+,26-16+,31-17+,32 -18+,35-21+,36-22+,37-27+ ,38-28+,39-29+,40-30+; OAIJSZIZWZSQBC-GYZMGTAESA-N |
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\ C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C) /C)/C)C; CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C) =CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C (C)C=CC=C(C)CCC=C(C)C)C)C)C)C; CC(C)=CCC \C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C) \C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C; C(\C=C \C=C(\CC/C=C(\C)C)C)(=C/C=C/C(=C/C=C/C=C (/C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)C)C)C)C) C |
LYCOPENE |
| 32764 |  LYD DB08131 ZINC000005882138 |
2 | C20 H23 N5 O4 | InChI=1S/C20H23N5O4/c1-10 (2)15(19(28)29)23-17(26)1 2-6-3-11(4-7-12)5-8-13-9- 22-16-14(13)18(27)25-20(2 1)24-16/h3-4,6-7,9-10,15H ,5,8H2,1-2H3,(H,23,26)(H, 28,29)(H4,21,22,24,25,27) /t15-/m0/s1; MYENGRJSPURSQB-HNNXBMFYSA-N |
O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(= O)c23)N)C(C)C; CC(C)C(C(=O)O)NC(=O)c1ccc (cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N; CC(C)[C @H](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC(=O)c 23)cc1)C(O)=O; CC(C)[C@@H](C(=O)O)NC(=O) c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N; CC (C)[CH](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC( =O)c23)cc1)C(O)=O |
2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID; LY338529 |
| 32765 |  LYE ZINC000004261798 |
7 | C19 H10 Br4 O5 S | InChI=1S/C19H10Br4O5S/c20 -12-5-9(6-13(21)18(12)24) 17(10-7-14(22)19(25)15(23 )8-10)11-3-1-2-4-16(11)29 (26,27)28/h1-8,24H,(H,26, 27,28); FKNLPHIFYDXHIC-UHFFFAOYSA-N |
c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3c c(c(c(c3)Br)O)Br)S(=O)(=O)O; Oc1c(Br)cc( cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3 [S](O)(=O)=O |
bromophenol blue |
| 32766 |  LYF ZINC000098209142 |
0 | C13 H22 N2 O7 | InChI=1S/C13H22N2O7/c14-9 (12(19)20)3-1-2-6-15-10(1 3(21)22)7-8(16)4-5-11(17) 18/h8-9,16H,1-7,14H2,(H,1 7,18)(H,19,20)(H,21,22)/b 15-10+/t8-,9-/m0/s1; SZZIBLQGBUJBOW-GLLKNPCHSA-N |
O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O ; C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O )N; C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O) C[C@@H](C(=O)O)N; N[C@@H](CCCCN=C(C[C@@H ](O)CCC(O)=O)C(O)=O)C(O)=O; N[CH](CCCCN= C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O |
(2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid |
| 32767 |  LYG CHEMBL572513 ZINC000044715925 |
1 | C15 H14 Cl N3 O2 S | InChI=1S/C15H14ClN3O2S/c1 6-8-1-2-11-10(5-8)13-14(2 2-11)15(21)18-12(17-13)7- 19-4-3-9(20)6-19/h1-2,5,9 ,20H,3-4,6-7H2,(H,17,18,2 1)/t9-/m0/s1; DSUSQUXNJRQJMI-VIFPVBQESA-N |
c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)CN4CCC(C 4)O; Clc4cc3c(sc1c3N=C(NC1=O)CN2CCC(O)C2 )cc4; c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[ N@@]4CC[C@@H](C4)O; O[CH]1CCN(C1)CC2=Nc3 c(sc4ccc(Cl)cc34)C(=O)N2; O[C@H]1CCN(C1) CC2=Nc3c(sc4ccc(Cl)cc34)C(=O)N2 |
8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one |
| 32768 |  LYH |
0 | C6 H12 N2 O2 | InChI=1S/C6H12N2O2/c7-4-2 -1-3-5(8)6(9)10/h1,3,5H,2 ,4,7-8H2,(H,9,10)/b3-1+/t 5-/m0/s1; BLKNAFAMNSXQRW-JRIXXDKMSA-N |
O=C(O)C(/C=C/CCN)N; C(CN)/C=C/[C@@H](C(= O)O)N; C(CN)C=CC(C(=O)O)N; NCC/C=C/[C@H] (N)C(O)=O; NCCC=C[CH](N)C(O)=O |
3,4 ENE-LYSINE; (2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID |
| 32769 |  LYI |
1 | C47 H85 O12 P | InChI=1S/C47H85O12P/c1-3- 5-7-9-11-13-15-17-19-21-2 2-24-26-28-30-32-34-36-41 (48)58-40(39-57-60(54,55) 59-47-45(52)43(50)42(49)4 4(51)46(47)53)38-56-37-35 -33-31-29-27-25-23-20-18- 16-14-12-10-8-6-4-2/h11,1 3,17,19,22,24,28,30,40,42 -47,49-53H,3-10,12,14-16, 18,20-21,23,25-27,29,31-3 9H2,1-2H3,(H,54,55)/b13-1 1-,19-17-,24-22-,30-28-/t 40-,42-,43-,44+,45-,46-,4 7-/m1/s1; WVZYOWMZDZYUMR-MCRWXTICSA-N |
CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C (C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CC CCCC; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P](O) (=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@ H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C\C=C/C \C=C/CCCCC; CCCCCCCCCCCCCCCCCCOC[CH](CO[ P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH] (O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1 [C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC( =O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
[(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate |
| 32770 |  LYJ ZINC000035923510 |
0 | C6 H16 N2 O | InChI=1S/C6H16N2O/c7-4-2- 1-3-6(8)5-9/h6,9H,1-5,7-8 H2/t6-/m0/s1; LTGPFZWZZNUIIK-LURJTMIESA-N |
OCC(N)CCCCN; NCCCC[CH](N)CO; NCCCC[C@H]( N)CO; C(CCN)CC(CO)N; C(CCN)C[C@@H](CO)N |
(2S)-2,6-diaminohexan-1-ol |
| 32771 |  LYK ZINC000064746703 |
0 | C6 H16 N2 O2 | InChI=1S/C6H16N2O2/c7-4-2 -1-3-5(8)6(9)10/h5-6,9-10 H,1-4,7-8H2/t5-/m0/s1; KAIAEVMOENBGKZ-YFKPBYRVSA-N |
C(CCN)CC(C(O)O)N; NCCCC[CH](N)C(O)O; NCC CC[C@H](N)C(O)O; C(CCN)C[C@@H](C(O)O)N; OC(O)C(N)CCCCN |
(2S)-2,6-diaminohexane-1,1-diol |
| 32772 |  LYL DB03301 ZINC000001690121 |
1 | C10 H12 O | InChI=1S/C10H12O/c1-3-5-9 -7-4-6-8(2)10(9)11/h3-4,6 -7,11H,1,5H2,2H3; WREVCRYZAWNLRZ-UHFFFAOYSA-N |
Cc1cccc(CC=C)c1O; Oc1c(cccc1C/C=C)C; Cc1 cccc(c1O)CC=C |
2-ALLYL-6-METHYL-PHENOL |
| 32773 |  LYM |
0 | C7 H16 N2 O | InChI=1S/C7H16N2O/c1-6(10 )7(9)4-2-3-5-8/h7H,2-5,8- 9H2,1H3/t7-/m0/s1; FADKJNSSIWTVAI-ZETCQYMHSA-N |
O=C(C)C(N)CCCCN; CC(=O)C(CCCCN)N; CC(=O) [C@H](CCCCN)N; CC(=O)[CH](N)CCCCN; CC(=O )[C@@H](N)CCCCN |
DEOXY-METHYL-LYSINE |
| 32774 |  LYN DB03988 |
5 | C6 H16 N3 O | InChI=1S/C6H15N3O/c7-4-2- 1-3-5(8)6(9)10/h5H,1-4,7- 8H2,(H2,9,10)/p+1/t5-/m0/ s1; HKXLAGBDJVHRQG-YFKPBYRVSA-O |
C(CC[NH3+])C[C@@H](C(=O)N)N; O=C(N)C(N)C CCC[NH3+]; C(CC[NH3+])CC(C(=O)N)N; N[C@@ H](CCCC[NH3+])C(N)=O; N[CH](CCCC[NH3+])C (N)=O |
2,6-DIAMINO-HEXANOIC ACID AMIDE |
| 32775 |  LYO ZINC000013511406 |
4 | C6 H14 N2 O3 | InChI=1S/C6H14N2O3/c7-2-1 -4(9)3-5(8)6(10)11/h4-5,9 H,1-3,7-8H2,(H,10,11)/t4- ,5-/m0/s1; ASYBZHICIMVQII-WHFBIAKZSA-N |
NCC[C@H](O)C[C@H](N)C(O)=O; NCC[CH](O)C[ CH](N)C(O)=O; C(CN)C(CC(C(=O)O)N)O; O=C( O)C(N)CC(O)CCN; C(CN)C(C[C@@H](C(=O)O)N) O |
4-HYDROXY-LYSINE |
| 32776 |  LYP ZINC000064436851 |
0 | C10 H22 N2 O2 | InChI=1S/C10H22N2O2/c1-3- 7-12(2)8-5-4-6-9(11)10(13 )14/h9H,3-8,11H2,1-2H3,(H ,13,14)/t9-/m0/s1; RBCPTYNDCRPSKM-VIFPVBQESA-N |
O=C(O)C(N)CCCCN(CCC)C; CCCN(C)CCCCC(C(=O )O)N; CCCN(C)CCCC[C@H](N)C(O)=O; CCCN(C) CCCC[CH](N)C(O)=O |
N~6~-METHYL-N~6~-PROPYL-L-LYSINE |
| 32777 |  LYQ |
5 | C18 H19 Cl N2 O3 S | InChI=1S/C18H19ClN2O3S/c1 9-16-8-10(22)4-6-14(16)18 -13-3-1-2-12(13)15-9-11(2 5(20,23)24)5-7-17(15)21-1 8/h4-9,12-13,18,21-22H,1- 3H2,(H2,20,23,24)/t12-,13 +,18-/m0/s1; BCOLVIOJRBHVNW-JCGVRSQUSA-N |
c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O )(=O)N; c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC [C@@H]3c4cc(ccc4N2)S(=O)(=O)N; N[S](=O)( =O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O )cc4Cl; N[S](=O)(=O)c1ccc2N[C@@H]([C@@H] 3CCC[C@@H]3c2c1)c4ccc(O)cc4Cl |
(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide |
| 32778 |  LYR ZINC000064454591 |
0 | C26 H42 N2 O2 | InChI=1S/C26H42N2O2/c1-20 (14-15-23-22(3)12-9-17-26 (23,4)5)10-8-11-21(2)16-1 9-28-18-7-6-13-24(27)25(2 9)30/h8,10-11,14-16,24,28 H,6-7,9,12-13,17-19,27H2, 1-5H3,(H,29,30)/b11-8-,15 -14+,20-10+,21-16+/t24-/m 0/s1; FSIGCSBKSBDRLV-GGOCYBHBSA-N |
CC1=C(C=CC(C)=CC=CC(C)=CCNCCCC[CH](N)C(O )=O)C(C)(C)CCC1; CC1=C(\C=C\C(C)=C\C=C/C (C)=C/CNCCCC[C@H](N)C(O)=O)C(C)(C)CCC1; CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCC CC[C@@H](C(=O)O)N)\C)/C; CC1=C(C(CCC1)(C )C)C=CC(=CC=CC(=CCNCCCCC(C(=O)O)N)C)C; O =C(O)C(N)CCCCNC/C=C(/C=C\C=C(\C=C\C1=C(C CCC1(C)C)C)C)C |
N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE |
| 32779 |  LYS |
746 | C6 H15 N2 O2 | InChI=1S/C6H14N2O2/c7-4-2 -1-3-5(8)6(9)10/h5H,1-4,7 -8H2,(H,9,10)/p+1/t5-/m0/ s1; KDXKERNSBIXSRK-YFKPBYRVSA-O |
N[CH](CCCC[NH3+])C(O)=O; O=C(O)C(N)CCCC[ NH3+]; C(CC[NH3+])C[C@@H](C(=O)O)N; N[C@ @H](CCCC[NH3+])C(O)=O; C(CC[NH3+])CC(C(= O)O)N |
LYSINE |
| 32780 |  LYT CHEMBL13968 DB03659 ZINC000001586365 |
0 | C4 H11 N | InChI=1S/C4H11N/c1-2-3-4- 5/h2-5H2,1H3; HQABUPZFAYXKJW-UHFFFAOYSA-N |
CCCCN; NCCCC | BUTYLAMINE |
| 32781 |  LYU ZINC000064746705 |
0 | C12 H26 N2 O2 | InChI=1S/C12H26N2O2/c1-10 (2)6-5-9-14-8-4-3-7-11(13 )12(15)16/h10-11,14H,3-9, 13H2,1-2H3,(H,15,16)/t11- /m0/s1; VVVHWGMAVAYORR-NSHDSACASA-N |
CC(C)CCCNCCCCC(C(=O)O)N; O=C(O)C(N)CCCCN CCCC(C)C; CC(C)CCCNCCCC[CH](N)C(O)=O; CC (C)CCCNCCCC[C@H](N)C(O)=O; CC(C)CCCNCCCC [C@@H](C(=O)O)N |
N~6~-(4-methylpentyl)-L-lysine |
| 32782 |  LYV ZINC000263620823 |
0 | C9 H19 N4 O8 P | InChI=1S/C9H19N4O8P/c10-5 (9(16)17)1-2-12-7(14)3-13 -8(15)6(11)4-21-22(18,19) 20/h5-6H,1-4,10-11H2,(H,1 2,14)(H,13,15)(H,16,17)(H 2,18,19,20)/t5-,6-/m0/s1; OAHBGBOPVNAMDO-WDSKDSINSA-N |
C(CNC(=O)CNC(=O)C(COP(=O)(O)O)N)C(C(=O)O )N; C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N) [C@@H](C(=O)O)N; N[CH](CCNC(=O)CNC(=O)[C H](N)CO[P](O)(O)=O)C(O)=O; O=P(OCC(C(=O) NCC(=O)NCCC(C(=O)O)N)N)(O)O; N[C@@H](CCN C(=O)CNC(=O)[C@@H](N)CO[P](O)(O)=O)C(O)= O |
O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide |
| 32783 |  LYW DB03241 |
0 | C6 H13 N O | InChI=1S/C6H13NO/c1-2-3-4 -6(7)5-8/h5-6H,2-4,7H2,1H 3/t6-/m0/s1; TZJGKUCHNFFHGN-LURJTMIESA-N |
CCCCC(C=O)N; CCCC[C@@H](C=O)N; CCCC[CH]( N)C=O; CCCC[C@H](N)C=O; O=CC(N)CCCC |
1-AMINO-1-CARBONYL PENTANE |
| 32784 |  LYX ZINC000263620966 |
0 | C30 H52 N9 O19 P3 S | InChI=1S/C30H52N9O19P3S/c 1-16(26(43)34-8-5-4-6-17( 31)29(45)46)62-11-10-33-1 9(40)7-9-35-27(44)23(42)3 0(2,3)13-55-61(52,53)58-6 0(50,51)54-12-18-22(57-59 (47,48)49)21(41)28(56-18) 39-15-38-20-24(32)36-14-3 7-25(20)39/h14-18,21-23,2 8,41-42H,4-13,31H2,1-3H3, (H,33,40)(H,34,43)(H,35,4 4)(H,45,46)(H,50,51)(H,52 ,53)(H2,32,36,37)(H2,47,4 8,49)/t16-,17-,18+,21+,22 +,23-,28+/m0/s1; RFJAZFUCRKBHCW-NFOKXICTSA-N |
C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC( =O)CCNC(=O)[C@@H](C(C)(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)O; C[CH]( SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)( =O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O [P](O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCCCC[ CH](N)C(O)=O; C[C@H](SCCNC(=O)CCNC(=O)[C @H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)(=O)OC [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O )n2cnc3c(N)ncnc23)C(=O)NCCCC[C@H](N)C(O) =O; CC(C(=O)NCCCCC(C(=O)O)N)SCCNC(=O)CCN C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; O=C (O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O) C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c (ncnc12)N)C(O)C3OP(=O)(O)O)C |
N''-(2-COENZYME A)-PROPANOYL-LYSINE |
| 32785 |  LYY |
1 | C5 H10 O4 | InChI=1S/C5H10O4/c6-3-1-9 -2-4(7)5(3)8/h3-8H,1-2H2/ t3-,4-/m1/s1; QXAMTEJJAZOINB-QWWZWVQMSA-N |
O[C@@H]1COC[C@@H](O)[C@@H]1O; C1[C@H](C( [C@@H](CO1)O)O)O; O[CH]1COC[CH](O)[CH]1O ; OC1COCC(O)C1O; C1C(C(C(CO1)O)O)O |
1,5-anhydro-D-arabinitol |
| 32786 |  LYZ CHEMBL457104 ZINC000001719890 |
2 | C6 H14 N2 O3 | InChI=1S/C6H14N2O3/c7-3-4 (9)1-2-5(8)6(10)11/h4-5,9 H,1-3,7-8H2,(H,10,11)/t4- ,5+/m1/s1; YSMODUONRAFBET-UHNVWZDZSA-N |
NC[C@H](O)CC[C@H](N)C(O)=O; NC[CH](O)CC[ CH](N)C(O)=O; C(C[C@@H](C(=O)O)N)[C@H](C N)O; O=C(O)C(N)CCC(O)CN; C(CC(C(=O)O)N)C (CN)O |
5-HYDROXYLYSINE |
| 32787 |  LZ0 ZINC000058650151 |
3 | C11 H17 N3 O6 | InChI=1S/C11H17N3O6/c1-6- 8(16)9(17)10(18)11(20-6)1 9-5-7-4-12-13-14(7)2-3-15 /h3-4,6,8-11,16-18H,2,5H2 ,1H3/t6-,8+,9+,10-,11+/m0 /s1; VXMWUAUJLLGYLQ-GDWDKGMLSA-N |
CC1C(C(C(C(O1)OCc2cnnn2CC=O)O)O)O; C[C@H ]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2 CC=O)O)O)O; C[C@@H]1O[C@@H](OCc2cnnn2CC= O)[C@@H](O)[C@H](O)[C@@H]1O; O=CCn1nncc1 COC2OC(C(O)C(O)C2O)C; C[CH]1O[CH](OCc2cn nn2CC=O)[CH](O)[CH](O)[CH]1O |
[1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside; [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactoside; [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-L-galactoside; [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-galactoside |
| 32788 |  LZ1 CHEMBL86795 ZINC000016052862 |
12 | C7 H6 N2 | InChI=1S/C7H6N2/c1-2-4-7- 6(3-1)5-8-9-7/h1-5H,(H,8, 9); BAXOFTOLAUCFNW-UHFFFAOYSA-N |
[nH]1ncc2ccccc12; c1ccc2c(c1)cn[nH]2; n2 cc1ccccc1n2 |
1H-indazole |
| 32789 |  LZ2 CHEMBL457047 DB08132 ZINC000002242749 |
9 | C10 H9 N O3 S | InChI=1S/C10H9NO3S/c11-15 (13,14)10-6-2-3-7-8(10)4- 1-5-9(7)12/h1-6,12H,(H2,1 1,13,14); NFVBVKHGDDDCEA-UHFFFAOYSA-N |
N[S](=O)(=O)c1cccc2c(O)cccc12; O=S(=O)(c 1cccc2c1cccc2O)N; c1cc2c(cccc2S(=O)(=O)N )c(c1)O |
5-hydroxynaphthalene-1-sulfonamide |
| 32790 |  LZ3 CHEMBL455946 DB08133 ZINC000015270554 |
1 | C14 H12 N4 O3 S | InChI=1S/C14H12N4O3S/c15- 22(20,21)10-7-5-9(6-8-10) 16-14(19)13-11-3-1-2-4-12 (11)17-18-13/h1-8H,(H,16, 19)(H,17,18)(H2,15,20,21); MNHPHKFLWAPNOV-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23 )cc1; c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc 3)S(=O)(=O)N; O=S(=O)(N)c1ccc(cc1)NC(=O) c3nnc2ccccc23 |
N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide |
| 32791 |  LZ4 CHEMBL487738 DB08134 ZINC000016052861 |
1 | C10 H9 Cl N4 O2 S | InChI=1S/C10H9ClN4O2S/c11 -9-5-13-6-10(15-9)14-7-1- 3-8(4-2-7)18(12,16)17/h1- 6H,(H,14,15)(H2,12,16,17); RSNSGNZRUMHXAY-UHFFFAOYSA-N |
c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N; Clc2n c(Nc1ccc(cc1)S(=O)(=O)N)cnc2; N[S](=O)(= O)c1ccc(Nc2cncc(Cl)n2)cc1 |
4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide |
| 32792 |  LZ5 CHEMBL445420 DB08135 ZINC000005286379 |
1 | C10 H9 N3 O | InChI=1S/C10H9N3O/c14-10( 9-6-7-11-13-9)12-8-4-2-1- 3-5-8/h1-7H,(H,11,13)(H,1 2,14); WMZYZYFPPQOFKY-UHFFFAOYSA-N |
O=C(Nc1ccccc1)c2nncc2; c1ccc(cc1)NC(=O)c 2cc[nH]n2; O=C(Nc1ccccc1)c2cc[nH]n2 |
N-phenyl-1H-pyrazole-3-carboxamide |
| 32793 |  LZ6 ZINC000024980297 |
10 | C24 H35 Cl N4 O8 S | InChI=1S/C24H35ClN4O8S/c2 5-10-11-29(17-6-4-16(5-7- 17)2-1-3-21(31)32)12-13-3 8-15-19(23(35)27-14-22(33 )34)28-20(30)9-8-18(26)24 (36)37/h4-7,18-19H,1-3,8- 15,26H2,(H,27,35)(H,28,30 )(H,31,32)(H,33,34)(H,36, 37)/t18-,19-/m0/s1; BQVGPQFUMPRIMA-OALUTQOASA-N |
c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC (=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl; c1cc (ccc1CCCC(=O)O)N(CCSCC(C(=O)NCC(=O)O)NC( =O)CCC(C(=O)O)N)CCCl; N[CH](CCC(=O)N[CH] (CSCCN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC (O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CSC CN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC(O)= O)C(O)=O; O=C(O)C(N)CCC(=O)NC(C(=O)NCC(= O)O)CSCCN(c1ccc(cc1)CCCC(=O)O)CCCl |
L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine; Chlorambucil-Glutathione Conjugate |
| 32794 |  LZ7 CHEMBL456163 DB08136 |
1 | C12 H11 F N4 O2 | InChI=1S/C12H11FN4O2/c1-7 (18)15-10-6-14-17-11(10)1 2(19)16-9-4-2-8(13)3-5-9/ h2-6H,1H3,(H,14,17)(H,15, 18)(H,16,19); CWQKPKYIMQTGJK-UHFFFAOYSA-N |
O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)C; CC(=O )Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2; CC(=O)Nc1 c[nH]nc1C(=O)Nc2ccc(cc2)F |
4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide |
| 32795 |  LZ8 CHEMBL463580 DB08137 ZINC000016052860 |
1 | C17 H13 F N4 O2 | InChI=1S/C17H13FN4O2/c18- 12-6-8-13(9-7-12)20-17(24 )15-14(10-19-22-15)21-16( 23)11-4-2-1-3-5-11/h1-10H ,(H,19,22)(H,20,24)(H,21, 23); ZMWYSLJBNJUCRK-UHFFFAOYSA-N |
Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc 1; c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc (cc3)F; O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2) c3ccccc3 |
N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE |
| 32796 |  LZ9 CHEMBL518383 DB08138 ZINC000016052859 |
3 | C17 H11 F3 N4 O2 | InChI=1S/C17H11F3N4O2/c18 -9-4-6-10(7-5-9)22-17(26) 15-13(8-21-24-15)23-16(25 )14-11(19)2-1-3-12(14)20/ h1-8H,(H,21,24)(H,22,26)( H,23,25); BDRDBXXWQDFXEC-UHFFFAOYSA-N |
O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3c(F)cc cc3F; Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3c(F )cccc3F)cc1; c1cc(c(c(c1)F)C(=O)Nc2c[nH] nc2C(=O)Nc3ccc(cc3)F)F |
{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide |
| 32797 |  LZA CHEMBL457388 ZINC000016052877 |
1 | C16 H17 F2 N5 O2 | InChI=1S/C16H17F2N5O2/c17 -10-2-1-3-11(18)13(10)15( 24)22-12-8-20-23-14(12)16 (25)21-9-4-6-19-7-5-9/h1- 3,8-9,19H,4-7H2,(H,20,23) (H,21,25)(H,22,24); CXBHMSHVCKEEGW-UHFFFAOYSA-N |
Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNC C3; c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N C3CCNCC3)F; O=C(NC1CCNCC1)c3nncc3NC(=O)c 2c(F)cccc2F |
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide |
| 32798 |  LZB CHEMBL458926 DB08139 ZINC000038993085 |
1 | C10 H10 Cl N5 | InChI=1S/C10H10ClN5/c1-6( 2)14-9-3-8(11)15-10-7(4-1 2)5-13-16(9)10/h3,5-6,14H ,1-2H3; HFTLYNKTSANXFA-UHFFFAOYSA-N |
CC(C)Nc1cc(Cl)nc2n1ncc2C#N; N#Cc1cnn2c(c c(Cl)nc12)NC(C)C; CC(C)Nc1cc(nc2n1ncc2C# N)Cl |
5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
| 32799 |  LZC CHEMBL509730 DB08140 |
1 | C16 H23 N7 | InChI=1S/C16H23N7/c1-10(2 )20-15-7-14(21-13-5-3-12( 18)4-6-13)22-16-11(8-17)9 -19-23(15)16/h7,9-10,12-1 3,20H,3-6,18H2,1-2H3,(H,2 1,22)/t12-,13-; FOESVLPZMGVWBM-JOCQHMNTSA-N |
CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc3n1ncc 3C#N; CC(C)Nc1cc(N[CH]2CC[CH](N)CC2)nc3n 1ncc3C#N; N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC 3)NC(C)C; CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC (CC3)N |
5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE |
| 32800 |  LZD CHEMBL1187319 DB08141 ZINC000016052874 |
1 | C16 H17 F2 N5 O2 | InChI=1S/C16H17F2N5O2/c17 -10-4-1-5-11(18)13(10)15( 24)22-12-8-20-23-14(12)16 (25)21-9-3-2-6-19-7-9/h1, 4-5,8-9,19H,2-3,6-7H2,(H, 20,23)(H,21,25)(H,22,24)/ t9-/m0/s1; KOMNQBZWMCFDTQ-VIFPVBQESA-N |
O=C(NC1CCCNC1)c3nncc3NC(=O)c2c(F)cccc2F; c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3C CCNC3)F; c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C (=O)N[C@H]3CCCNC3)F; Fc1cccc(F)c1C(=O)Nc 2c[nH]nc2C(=O)N[CH]3CCCNC3; Fc1cccc(F)c1 C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3 |
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide |