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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 42601 |  TTI |
0 | C9 H13 N2 O8 P Te | InChI=1S/C9H13N2O8PTe/c12 -4-1-7(19-5(4)3-18-20(15, 16)17)11-2-6(21)8(13)10-9 (11)14/h4-5,7,12H,1-3H2,( H,10,13,14)(H2,15,16,17)/ t4-,5+,7+/m0/s1; JBISBBUKLAQYGW-HBPOCXIASA-N |
C1C(C(OC1N2CC(=[Te])C(=O)NC2=O)COP(=O)(O )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O) =O)N2CC(=[Te])C(=O)NC2=O; O[CH]1C[CH](O[ CH]1CO[P](O)(O)=O)N2CC(=[Te])C(=O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2CC(=[Te])C(=O)N C2=O)COP(=O)(O)O)O; [Te]=C2C(=O)NC(=O)N( C1OC(C(O)C1)COP(=O)(O)O)C2 |
2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate); 5-Tellurium-deoxyuridine-5'-phosphate |
| 42602 |  TTJ ZINC000069416059 |
1 | C16 H19 N3 O3 | InChI=1S/C16H19N3O3/c1-10 -5-11(2)7-12(6-10)13-8-15 (19-18-13)17-16(20)14-9-2 1-3-4-22-14/h5-8,14H,3-4, 9H2,1-2H3,(H2,17,18,19,20 )/t14-/m1/s1; IFBWFTQSSMRHQI-CQSZACIVSA-N |
Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)C3COCCO3)C ; C1OCCOC1C(=O)Nc2cc(nn2)c3cc(C)cc(c3)C; Cc1cc(cc(c1)c2cc([nH]n2)NC(=O)[C@H]3COC CO3)C; Cc1cc(C)cc(c1)c2cc([nH]n2)NC(=O)[ CH]3COCCO3; Cc1cc(C)cc(c1)c2cc([nH]n2)NC (=O)[C@H]3COCCO3 |
(2R)-N-[3-(3,5-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-dioxane-2-carboxamide |
| 42603 |  TTL CHEMBL46439 DB08654 ZINC000008699423 |
2 | C10 H13 N O | InChI=1S/C10H13NO/c11-9-6 -5-7-3-1-2-4-8(7)10(9)12/ h1-4,9-10,12H,5-6,11H2/t9 -,10-/m0/s1; IIMSEFZOOYSTDO-UWVGGRQHSA-N |
N[C@H]1CCc2ccccc2[C@@H]1O; N[CH]1CCc2ccc cc2[CH]1O; c1ccc2c(c1)CCC(C2O)N; c1ccc2c (c1)CC[C@@H]([C@H]2O)N; OC2c1ccccc1CCC2N |
TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-OL; TRANS-(1S,2S)-1-HYDROXY-2-AMINO-1,2,3,4 TETRAHYDRONAPHTHALENE, TRANS-(1S,2S)-2-AMINO-1-TETRALOL |
| 42604 |  TTM ZINC000058639039 |
0 | C12 H19 N2 O8 P | InChI=1S/C12H19N2O8P/c1-3 -13-11(16)7(2)5-14(12(13) 17)10-4-8(15)9(22-10)6-21 -23(18,19)20/h5,8-10,15H, 3-4,6H2,1-2H3,(H2,18,19,2 0)/t8-,9+,10+/m0/s1; DDXOXFHHQKBFFH-IVZWLZJFSA-N |
CCN1C(=O)C(=CN(C1=O)C2CC(C(O2)COP(=O)(O) O)O)C; CCN1C(=O)N(C=C(C)C1=O)[CH]2C[CH]( O)[CH](CO[P](O)(O)=O)O2; CCN1C(=O)N(C=C( C)C1=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O) =O)O2; O=C1N(C(=O)N(C=C1C)C2OC(C(O)C2)CO P(=O)(O)O)CC; CCN1C(=O)C(=CN(C1=O)[C@H]2 C[C@@H]([C@H](O2)COP(=O)(O)O)O)C |
N3-ETHYL-THYMIDINE-5'-MONOPHOSPHATE |
| 42605 |  TTN DB03680 |
29 | C3 H2 O5 | InChI=1S/C3H4O5/c4-1(2(5) 6)3(7)8/h1,4H,(H,5,6)(H,7 ,8)/p-2; ROBFUDYVXSDBQM-UHFFFAOYSA-L |
OC(C([O-])=O)C([O-])=O; [O-]C(=O)C(O)C([ O-])=O; C(C(=O)[O-])(C(=O)[O-])O |
TARTRONATE |
| 42606 |  TTO DB02086 |
0 | C24 H20 As O2 | InChI=1S/C24H19AsO2/c26-2 3-17-16-22(18-24(23)27)25 (19-10-4-1-5-11-19,20-12- 6-2-7-13-20)21-14-8-3-9-1 5-21/h1-18H,(H-,26,27)/p+ 1; AYGYLFIDAXGERM-UHFFFAOYSA-O |
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc (c(c4)O)O; Oc1cc(ccc1O)[As+](c2ccccc2)(c 3ccccc3)c4ccccc4; Oc1ccc(cc1O)[As+](c2cc ccc2)(c3ccccc3)c4ccccc4 |
(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM |
| 42607 |  TTP CHEMBL363559 DB02452 ZINC000008215959 |
758 | C10 H17 N2 O14 P3 | InChI=1S/C10H17N2O14P3/c1 -5-3-12(10(15)11-9(5)14)8 -2-6(13)7(24-8)4-23-28(19 ,20)26-29(21,22)25-27(16, 17)18/h3,6-8,13H,2,4H2,1H 3,(H,19,20)(H,21,22)(H,11 ,14,15)(H2,16,17,18)/t6-, 7+,8+/m0/s1; NHVNXKFIZYSCEB-XLPZGREQSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2 )CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O; CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[ P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O; O=P (O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC (=O)C(=C1)C)CC2O; CC1=CN(C(=O)NC1=O)C2CC (C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O; C C1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(= O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O |
THYMIDINE-5'-TRIPHOSPHATE |
| 42608 |  TTQ ZINC000058638762 |
0 | C11 H13 N3 O3 | InChI=1S/C11H13N3O3/c12-7 -2-1-6-5(3-8(13)11(16)17) 4-14-9(6)10(7)15/h1-2,4,8 ,14-15H,3,12-13H2,(H,16,1 7)/t8-/m0/s1; AGPIOLMMNWQUSU-QMMMGPOBSA-N |
c1cc(c(c2c1c(c[nH]2)C[C@@H](C(=O)O)N)O)N ; N[C@@H](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O ; N[CH](Cc1c[nH]c2c(O)c(N)ccc12)C(O)=O; c1cc(c(c2c1c(c[nH]2)CC(C(=O)O)N)O)N; O=C (O)C(N)Cc2c1ccc(c(O)c1nc2)N |
6-AMINO-7-HYDROXY-L-TRYPTOPHAN |
| 42609 |  TTR CHEMBL1236441 DB08655 ZINC000000393073 |
1 | C14 H13 N O2 | InChI=1S/C14H13NO2/c1-9(1 6)15-12-7-3-2-5-10(12)11- 6-4-8-13(17)14(11)15/h2-3 ,5,7H,4,6,8H2,1H3; MIGJEXKBUJPKJF-UHFFFAOYSA-N |
CC(=O)n1c2ccccc2c3CCCC(=O)c13; O=C3c2c(c 1c(cccc1)n2C(=O)C)CCC3; CC(=O)n1c2ccccc2 c3c1C(=O)CCC3 |
9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE |
| 42610 |  TTS ZINC000058638764 |
0 | C17 H18 N2 O5 | InChI=1S/C17H18N2O5/c18-1 3(17(23)24)7-11-8-14(16(2 2)9-15(11)21)19-6-5-10-1- 3-12(20)4-2-10/h1-4,8-9,1 3,20,22H,5-7,18H2,(H,23,2 4)/b19-14+/t13-/m0/s1; IBNHJDACIBZXSZ-AZDDOORDSA-N |
c1cc(ccc1CC/N=C/2\C=C(C(=O)C=C2O)C[C@@H] (C(=O)O)N)O; N[CH](CC1=CC(=NCCc2ccc(O)cc 2)C(=CC1=O)O)C(O)=O; O=C2C=C(O)/C(=N/CCc 1ccc(O)cc1)C=C2CC(C(=O)O)N; c1cc(ccc1CCN =C2C=C(C(=O)C=C2O)CC(C(=O)O)N)O; N[C@@H] (CC1=CC(=NCCc2ccc(O)cc2)C(=CC1=O)O)C(O)= O |
3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE |
| 42611 |  TTT CHEMBL549695 DB08656 ZINC000043012570 |
11 | C20 H20 N2 O | InChI=1S/C20H20N2O/c1-13- 10-11-16(21)12-19(13)20(2 3)22-14(2)17-9-5-7-15-6-3 -4-8-18(15)17/h3-12,14H,2 1H2,1-2H3,(H,22,23)/t14-/ m1/s1; UVERBUNNCOKGNZ-CQSZACIVSA-N |
Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)N ; C[CH](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc2 3; Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)N; C[C@@H](NC(=O)c1cc(N)ccc1C)c2cccc3ccccc 23; O=C(c1cc(N)ccc1C)NC(c3c2ccccc2ccc3)C |
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide |
| 42612 |  TTU |
2 | C30 H32 N2 O3 | InChI=1S/C30H32N2O3/c1-2- 31-17-14-26(20-31)35-25-1 1-8-21(9-12-25)28-27-13-1 0-24(33)18-23(27)19-30(15 -16-30)32(28)29(34)22-6-4 -3-5-7-22/h3-13,18,26,28, 33H,2,14-17,19-20H2,1H3/t 26-,28+/m0/s1; ZNNUGLAKMQMSSA-XTEPFMGCSA-N |
CCN1CC[C@@H](C1)Oc2ccc(cc2)[C@@H]3c4ccc( cc4CC5(N3C(=O)c6ccccc6)CC5)O; CCN1CC[CH] (C1)Oc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(C C5)Cc6cc(O)ccc36; CCN1CCC(C1)Oc1ccc(cc1) C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1; CC N1CC[C@@H](C1)Oc2ccc(cc2)[C@H]3N(C(=O)c4 ccccc4)C5(CC5)Cc6cc(O)ccc36; CCN1CCC(C1) Oc2ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc 6)CC5)O |
[(1'R)-1'-(4-{[(3S)-1-ethylpyrrolidin-3-yl]oxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42613 |  TTV ZINC000034519122 |
0 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4-,5-,6 -/m1/s1; RFSUNEUAIZKAJO-KVTDHHQDSA-N |
OC[C@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O; OC 1(CO)OC(CO)C(O)C1O; C([C@@H]1[C@H]([C@H] ([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)(CO) [CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O)O |
beta-D-psicofuranose; beta-D-psicose; D-psicose; psicose |
| 42614 |  TTW |
4 | C10 H18 N3 O13 P3 | InChI=1S/C10H18N3O13P3/c1 -5-3-13(10(16)11-9(5)15)8 -2-6(14)7(25-8)4-24-29(22 ,23)26-28(20,21)12-27(17, 18)19/h3,6-8,14H,2,4H2,1H 3,(H,22,23)(H,11,15,16)(H 4,12,17,18,19,20,21)/t6-, 7+,8+/m0/s1; RTOWUXJWTDSUGC-XLPZGREQSA-N |
CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P ](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O; CC1= CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)O[P ](O)(=O)N[P](O)(O)=O)O2)C(=O)NC1=O; CC1= CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP (=O)(O)OP(=O)(NP(=O)(O)O)O)O; CC1=CN(C(= O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(NP(=O )(O)O)O)O; O=C1C(=CN(C(N1)=O)C2CC(C(O2)C OP(OP(NP(=O)(O)O)(O)=O)(O)=O)O)C |
5'-O-[hydroxy{[hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]thymidine |
| 42615 |  TTX ZINC000100230999 |
13 | C22 H30 N4 O4 | InChI=1S/C22H30N4O4/c1-14 (2)11-17-22(30)26(5)18(12 -16-9-7-6-8-10-16)21(29)2 3-13-19(27)25(4)15(3)20(2 8)24-17/h6-10,12,14-15,17 H,11,13H2,1-5H3,(H,23,29) (H,24,28)/b18-12-/t15-,17 -/m0/s1; SIIRBDOFKDACOK-LFXZBHHUSA-N |
O=C1NC(C(=O)N(/C(C(=O)NCC(=O)N(C)C1C)=C\ c2ccccc2)C)CC(C)C; CC(C)C[C@@H]1NC(=O)[C @H](C)N(C)C(=O)CNC(=O)C(=C/c2ccccc2)/N(C )C1=O; C[C@H]1C(=O)N[C@H](C(=O)N(/C(=C\c 2ccccc2)/C(=O)NCC(=O)N1C)C)CC(C)C; CC1C( =O)NC(C(=O)N(C(=Cc2ccccc2)C(=O)NCC(=O)N1 C)C)CC(C)C; CC(C)C[CH]1NC(=O)[CH](C)N(C) C(=O)CNC(=O)C(=Cc2ccccc2)N(C)C1=O |
TENTOXIN |
| 42616 |  TTY ZINC000000108349 |
1 | C9 H8 O4 | InChI=1S/C9H8O4/c10-6-2-1 -3-7-8(6)5(4-13-7)9(11)12 /h4H,1-3H2,(H,11,12); FABBWECRHZNMDQ-UHFFFAOYSA-N |
O=C(O)c1c2c(oc1)CCCC2=O; OC(=O)c1coc2CCC C(=O)c12; c1c(c2c(o1)CCCC2=O)C(=O)O |
4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| 42617 |  TTZ ZINC000016052244 |
1 | C13 H22 N2 O9 S | InChI=1S/C13H22N2O9S/c16- 1-3-4(18)5(19)6(20)11(24- 3)15-12-14-9-8(25-12)7(21 )10(22)13(9,23)2-17/h3-11 ,16-23H,1-2H2,(H,14,15)/t 3-,4-,5+,6-,7-,8-,9-,10+, 11+,13+/m1/s1; UISBBVOCYJQFAA-UXTOMXPUSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2 =N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO )O)O)O)O)O)O)O; OC[CH]1O[CH](NC2=N[CH]3[ CH](S2)[CH](O)[CH](O)[C]3(O)CO)[CH](O)[C H](O)[CH]1O; C(C1C(C(C(C(O1)NC2=NC3C(S2) C(C(C3(CO)O)O)O)O)O)O)O; OC2C(O)C(O)(C1N =C(SC12)NC3OC(CO)C(O)C(O)C3O)CO; OC[C@H] 1O[C@H](NC2=N[C@@H]3[C@H](S2)[C@@H](O)[C @H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H] 1O |
N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine; N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine; N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-D-gluc osylamine; N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-glucos ylamine |
| 42618 |  TU0 CHEMBL4094756 ZINC000098209466 |
1 | C8 H7 Br O4 S | InChI=1S/C8H7BrO4S/c9-7-1 -2-8(10)6(5-7)3-4-14(11,1 2)13/h1-5,10H,(H,11,12,13 )/b4-3+; UHSWOANMCMMEKU-ONEGZZNKSA-N |
Oc1ccc(Br)cc1\C=C\[S](O)(=O)=O; c1cc(c(c c1Br)/C=C/S(=O)(=O)O)O; c1cc(c(cc1Br)C=C S(=O)(=O)O)O; Oc1ccc(Br)cc1C=C[S](O)(=O) =O; Brc1cc(\C=C\S(=O)(=O)O)c(O)cc1 |
(E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID |
| 42619 |  TU1 CHEMBL3259945 ZINC000098209467 |
4 | C29 H21 F3 N4 O2 | InChI=1S/C29H21F3N4O2/c30 -19-6-8-24(31)23(15-19)17 -5-7-22(25(32)13-17)28(37 )36-27(29(38)35-20-9-11-3 3-12-10-20)14-18-16-34-26 -4-2-1-3-21(18)26/h1-13,1 5-16,27,34H,14H2,(H,36,37 )(H,33,35,38)/t27-/m1/s1; AHABCZVHHYTXPC-HHHXNRCGSA-N |
Fc1ccc(F)c(c1)c2ccc(C(=O)N[CH](Cc3c[nH]c 4ccccc34)C(=O)Nc5ccncc5)c(F)c2; c1ccc2c( c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4cc c(cc4F)c5cc(ccc5F)F; Fc1ccc(F)c(c1)c2ccc (C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)Nc5c cncc5)c(F)c2; c1ccc2c(c1)c(c[nH]2)C[C@H] (C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cc(cc c5F)F; Fc1cc(c(F)cc1)c2ccc(c(F)c2)C(=O)N C(C(=O)Nc3ccncc3)Cc5c4ccccc4nc5 |
4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide |
| 42620 |  TU2 CHEMBL5081479 |
4 | C22 H20 F N O5 | InChI=1S/C22H20FNO5/c1-12 -5-6-13(9-17(12)25)16-8-7 -15(23)20(24-16)21(26)14- 10-18(27-2)22(29-4)19(11- 14)28-3/h5-11,25H,1-4H3; JZHPUOFRNWNYQR-UHFFFAOYSA-N |
C(=O)(c1cc(c(c(c1)OC)OC)OC)c2c(ccc(n2)c3 cc(c(cc3)C)O)F; Cc1ccc(cc1O)c2ccc(c(n2)C (=O)c3cc(c(c(c3)OC)OC)OC)F; COc1cc(cc(OC )c1OC)C(=O)c2nc(ccc2F)c3ccc(C)c(O)c3 |
[3-fluoro-6-(3-hydroxy-4-methylphenyl)pyridin-2-yl](3,4,5-trimethoxyphenyl)methanone |
| 42621 |  TU3 CHEMBL5074758 |
2 | C21 H20 N2 O5 | InChI=1S/C21H20N2O5/c1-12 -5-6-13(7-17(12)24)15-10- 22-11-16(23-15)20(25)14-8 -18(26-2)21(28-4)19(9-14) 27-3/h5-11,24H,1-4H3; KWJXOYGITCRCRW-UHFFFAOYSA-N |
COc1cc(cc(OC)c1OC)C(=O)c2cncc(n2)c3ccc(C )c(O)c3; C(=O)(c1cc(c(c(c1)OC)OC)OC)c2cn cc(n2)c3cc(c(cc3)C)O; Cc1ccc(cc1O)c2cncc (n2)C(=O)c3cc(c(c(c3)OC)OC)OC |
[6-(3-hydroxy-4-methylphenyl)pyrazin-2-yl](3,4,5-trimethoxyphenyl)methanone |
| 42622 |  TU4 |
1 | C14 H26 O7 | InChI=1S/C14H26O7/c1-2-3- 4-5-6-7-10(16)21-13-11(17 )9(8-15)20-14(19)12(13)18 /h9,11-15,17-19H,2-8H2,1H 3/t9-,11-,12-,13+,14+/m1/ s1; XXOQQAWGIDQJOO-KVRLPLMBSA-N |
CCCCCCCC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]( [C@@H]1O)O)CO)O; CCCCCCCC(=O)O[C@@H]1[C@ @H](O)[C@@H](O)O[C@H](CO)[C@H]1O; C(CCCC CCC)(OC1C(C(O)OC(C1O)CO)O)=O; CCCCCCCC(= O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O; C CCCCCCC(=O)OC1C(C(OC(C1O)O)CO)O |
3-O-octanoyl-alpha-D-glucopyranose |
| 42623 |  TU5 CHEMBL5080162 ZINC000084397771 |
1 | C11 H10 F3 N3 | InChI=1S/C11H10F3N3/c1-7- 5-17(6-16-7)10-3-8(11(12, 13)14)2-9(15)4-10/h2-6H,1 5H2,1H3; WWTGXYAJVXKEKL-UHFFFAOYSA-N |
Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F; Cc1cn(c n1)c2cc(N)cc(c2)C(F)(F)F |
3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline |
| 42624 |  TU6 CHEMBL4518218 ZINC000253419301 |
4 | C11 H17 N3 O | InChI=1S/C11H17N3O/c1-9-7 -11(13-10(8-15)12-9)14-5- 3-2-4-6-14/h7,15H,2-6,8H2 ,1H3; GZINCFOQQRVKFL-UHFFFAOYSA-N |
Cc1cc(nc(n1)CO)N2CCCCC2; Cc1cc(nc(CO)n1) N1CCCCC1; Cc1cc(nc(CO)n1)N2CCCCC2 |
[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol |
| 42625 |  TU7 ZINC000012441513 |
2 | C17 H15 Cl2 N O2 | InChI=1S/C17H15Cl2NO2/c18 -13-6-7-14(15(19)10-13)17 (21)20-8-9-22-16(11-20)12 -4-2-1-3-5-12/h1-7,10,16H ,8-9,11H2/t16-/m1/s1; GMCUGOLAHOHCSS-MRXNPFEDSA-N |
c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl )Cl; Clc1ccc(c(Cl)c1)C(=O)N2CCO[C@H](C2) c3ccccc3; Clc1ccc(c(Cl)c1)C(=O)N2CCO[CH] (C2)c3ccccc3; c1ccc(cc1)C2CN(CCO2)C(=O)c 3ccc(cc3Cl)Cl; C(c1ccc(cc1Cl)Cl)(N3CC(c2 ccccc2)OCC3)=O |
(2,4-dichlorophenyl)[(2S)-2-phenylmorpholin-4-yl]methanone |
| 42626 |  TU8 |
1 | C16 H12 F N3 O2 | InChI=1S/C16H12FN3O2/c17- 11-7-12(9-18-8-11)20-14(2 1)16(19-15(20)22)6-5-10-3 -1-2-4-13(10)16/h1-4,7-9H ,5-6H2,(H,19,22)/t16-/m0/ s1; HDQQGZLJXIFZDY-INIZCTEOSA-N |
c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)c4cc(cnc4 )F; Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34) C2=O; c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3 )c4cc(cnc4)F; Fc1cncc(c1)N2C(=O)N[C@]3(C Cc4ccccc34)C2=O |
(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione |
| 42627 |  TU9 |
1 | C31 H34 N2 O3 | InChI=1S/C31H34N2O3/c1-2- 32-17-14-22(20-32)21-36-2 7-11-8-23(9-12-27)29-28-1 3-10-26(34)18-25(28)19-31 (15-16-31)33(29)30(35)24- 6-4-3-5-7-24/h3-13,18,22, 29,34H,2,14-17,19-21H2,1H 3/t22-,29-/m1/s1; HBXPPLITOLIFRU-KPURRNSFSA-N |
CCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N3 C(=O)c6ccccc6)CC5)O; CCN1CC[C@@H](COc2cc c(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc (O)ccc36)C1; CCN1CC[C@H](C1)COc2ccc(cc2) [C@@H]3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5) O; CCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O)c4 ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CCN1CCC( C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C( =O)c1ccccc1 |
[(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42628 |  TUA CHEMBL131 DB00860 ZINC000003833821 |
3 | C21 H28 O5 | InChI=1S/C21H28O5/c1-19-7 -5-13(23)9-12(19)3-4-14-1 5-6-8-21(26,17(25)11-22)2 0(15,2)10-16(24)18(14)19/ h5,7,9,14-16,18,22,24,26H ,3-4,6,8,10-11H2,1-2H3/t1 4-,15-,16-,18+,19-,20-,21 -/m0/s1; OIGNJSKKLXVSLS-VWUMJDOOSA-N |
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@ ]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O; C2 =CC(=O)C=C3CCC1C4C(CC(C1C23C)O)(C(CC4)(O )C(CO)=O)C; CC12CC(C3C(C1CCC2(C(=O)CO)O) CCC4=CC(=O)C=CC34C)O; C[C]12C[CH](O)[CH] 3[CH](CCC4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O )C(=O)CO; C[C@]12C[C@H](O)[C@H]3[C@@H](C CC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C( =O)CO |
prednisolone; (11alpha)-11,17,21-trihydroxypregna-1,4-diene-3,20-dione |
| 42629 |  TUB ZINC000014953567 |
2 | C37 H41 N2 O6 | InChI=1S/C37H40N2O6/c1-38 -14-12-24-19-32(42-4)33-2 1-27(24)28(38)16-22-6-9-2 6(10-7-22)44-37-35-25(20- 34(43-5)36(37)41)13-15-39 (2,3)29(35)17-23-8-11-30( 40)31(18-23)45-33/h6-11,1 8-21,28-29H,12-17H2,1-5H3 ,(H-,40,41)/p+1/t28-,29-/ m0/s1; JFJZZMVDLULRGK-VMPREFPWSA-O |
C[N@]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c 6c(cc(c5O)OC)CC[N+]([C@H]6Cc7ccc(c(c7)O3 )O)(C)C)OC; COc1cc2CC[N+](C)(C)[C@H]3Cc4 ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc 7)N(C)CCc6cc5OC)c4; CN1CCc2cc(c3cc2C1Cc4 ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+](C6Cc7ccc (c(c7)O3)O)(C)C)OC; Oc7ccc5cc7Oc1cc2c(cc 1OC)CCN(C2Cc6ccc(Oc3c4c(cc(OC)c3O)CC[N+] (C)(C)C4C5)cc6)C; COc1cc2CC[N+](C)(C)[CH ]3Cc4ccc(O)c(Oc5cc6[CH](Cc7ccc(Oc(c1O)c2 3)cc7)N(C)CCc6cc5OC)c4 |
(1beta,1'alpha)-7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium; d-tubocurarine |
| 42630 |  TUC ZINC000039334992 |
0 | C11 H9 N O3 | InChI=1S/C11H9NO3/c13-11( 14)7-15-10-3-1-2-8-6-12-5 -4-9(8)10/h1-6H,7H2,(H,13 ,14); LBTFJCUQNGDFML-UHFFFAOYSA-N |
c1cc2cnccc2c(c1)OCC(=O)O; OC(=O)COc1cccc 2cnccc12; O=C(O)COc1cccc2c1ccnc2 |
(isoquinolin-5-yloxy)acetic acid |
| 42631 |  TUD CHEMBL185878 DB08833 ZINC000005822376 |
12 | C26 H45 N O6 S | InChI=1S/C26H45NO6S/c1-16 (4-7-23(30)27-12-13-34(31 ,32)33)19-5-6-20-24-21(9- 11-26(19,20)3)25(2)10-8-1 8(28)14-17(25)15-22(24)29 /h16-22,24,28-29H,4-15H2, 1-3H3,(H,27,30)(H,31,32,3 3)/t16-,17+,18-,19-,20+,2 1+,22-,24+,25+,26-/m1/s1; BHTRKEVKTKCXOH-BJLOMENOSA-N |
C[C@H](CCC(=O)NCC[S](O)(=O)=O)[C@H]1CC[C @H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C @]4(C)[C@H]3CC[C@]12C; CC(CCC(=O)NCCS(=O )(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C )O)C; C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1 CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C @H]4[C@@]3(CC[C@H](C4)O)C)O)C; O=S(=O)(O )CCNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)C C2)C)CC3)CC4)C)C; C[CH](CCC(=O)NCC[S](O) (=O)=O)[CH]1CC[CH]2[CH]3[CH](O)C[CH]4C[C H](O)CC[C]4(C)[CH]3CC[C]12C |
TAUROCHENODEOXYCHOLIC ACID; 2-(((3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID; TAUROCHENODEOXYCHOLATE |
| 42632 |  TUE ZINC000263620628 |
6 | C17 H16 N4 O | InChI=1S/C17H16N4O/c1-19- 8-13-6-15(10-20-9-13)22-1 1-12-2-3-14-4-5-17(18)21- 16(14)7-12/h2-7,9-10H,1,8 ,11H2,(H2,18,21); JWSPKIZRSASLMF-UHFFFAOYSA-N |
Nc1ccc2ccc(COc3cncc(CN=C)c3)cc2n1; C=NCc 1cc(cnc1)OCc2ccc3ccc(nc3c2)N |
7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine |
| 42633 |  TUG |
2 | C6 H12 O12 S2 | InChI=1S/C6H12O12S2/c7-1- 2-4(17-19(10,11)12)5(18-2 0(13,14)15)3(8)6(9)16-2/h 2-9H,1H2,(H,10,11,12)(H,1 3,14,15)/t2-,3+,4-,5+,6+/ m1/s1; XJBNSSXIWQSGRE-RDQKPOQOSA-N |
C([C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O )OS(=O)(=O)O)OS(=O)(=O)O)O; OC[CH]1O[CH] (O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O )(=O)=O; OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O) (O)=O)O)O; C(C1C(C(C(C(O1)O)O)OS(=O)(=O) O)OS(=O)(=O)O)O; OC[C@H]1O[C@H](O)[C@@H] (O)[C@H](O[S](O)(=O)=O)[C@@H]1O[S](O)(=O )=O |
3,4-di-O-sulfo-alpha-D-altropyranose |
| 42634 |  TUH CHEMBL2103879 DB12047 ZINC000043130413 |
5 | C20 H20 N4 O3 | InChI=1S/C20H20N4O3/c1-11 (2)14-9-15(18(26)10-17(14 )25)19-21-22-20(27)24(19) 13-4-5-16-12(8-13)6-7-23( 16)3/h4-11,25-26H,1-3H3,( H,22,27); RVAQIUULWULRNW-UHFFFAOYSA-N |
CC(C)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccc4c(c 3)ccn4C; O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C( C)C)c4cc3ccn(c3cc4)C; CC(C)c1cc(c(O)cc1O )C2=NNC(=O)N2c3ccc4n(C)ccc4c3 |
5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one; Ganetespib |
| 42635 |  TUI CHEMBL1206212 DB08657 ZINC000024952251 |
2 | C21 H18 N6 O4 S2 | InChI=1S/C21H18N6O4S2/c28 -18(29)12-31-14-6-4-13(5- 7-14)15-9-23-16(26-15)10- 24-20(30)27-21-25-11-19(3 3-21)32-17-3-1-2-8-22-17/ h1-9,11H,10,12H2,(H,23,26 )(H,28,29)(H2,24,25,27,30 ); SSXCWVOQWRUMGN-UHFFFAOYSA-N |
OC(=O)COc1ccc(cc1)c2c[nH]c(CNC(=O)Nc3sc( Sc4ccccn4)cn3)n2; O=C(Nc2ncc(Sc1ncccc1)s 2)NCc4nc(c3ccc(OCC(=O)O)cc3)cn4; c1ccnc( c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(c c4)OCC(=O)O |
2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID |
| 42636 |  TUJ |
2 | C6 H12 O18 S4 | InChI=1S/C6H12O18S4/c7-1- 2-3(21-25(8,9)10)4(22-26( 11,12)13)5(23-27(14,15)16 )6(20-2)24-28(17,18)19/h2 -7H,1H2,(H,8,9,10)(H,11,1 2,13)(H,14,15,16)(H,17,18 ,19)/t2-,3-,4-,5-,6-/m1/s 1; FZVPFIKBDVJAIY-QZABAPFNSA-N |
C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)OS(= O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(= O)O)O; OC[CH]1O[CH](O[S](O)(=O)=O)[CH](O [S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S ](O)(=O)=O; OCC1OC(C(C(C1OS(O)(=O)=O)OS( =O)(=O)O)OS(O)(=O)=O)OS(O)(=O)=O; C(C1C( C(C(C(O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)( =O)O)OS(=O)(=O)O)O; OC[C@H]1O[C@H](O[S]( O)(=O)=O)[C@H](O[S](O)(=O)=O)[C@H](O[S]( O)(=O)=O)[C@@H]1O[S](O)(=O)=O |
1,2,3,4-tetra-O-sulfo-alpha-D-allopyranose |
| 42637 |  TUK |
0 | C18 H22 N4 O3 S | InChI=1S/C18H22N4O3S/c1-2 6-7-6-13(19)17-21-15(18(2 5)22(17)10-16(23)24)8-11- 9-20-14-5-3-2-4-12(11)14/ h2-5,9,13,17,20H,6-8,10,1 9H2,1H3,(H,23,24)/t13-,17 -/m0/s1; SKQKCQNQSMQAEW-GUYCJALGSA-N |
CSCC[C@@H](C1N=C(C(=O)N1CC(=O)O)Cc2c[nH] c3c2cccc3)N; CSCC[CH](N)[CH]1N=C(Cc2c[nH ]c3ccccc23)C(=O)N1CC(O)=O; CSCCC(C1N=C(C (=O)N1CC(=O)O)Cc2c[nH]c3c2cccc3)N; CSCC[ C@H](N)[C@H]1N=C(Cc2c[nH]c3ccccc23)C(=O) N1CC(O)=O |
2-[2-[(1~{S})-1-azanyl-3-methylsulfanyl-propyl]-4-(1~{H}-indol-3-ylmethyl)-5-oxidanylidene-2~{H}-imidazol-1-yl]ethanal |
| 42638 |  TUL CHEMBL345768 ZINC000005127810 |
1 | C4 H4 N2 O S | InChI=1S/C4H4N2OS/c7-3-1- 2-5-4(8)6-3/h1-2H,(H2,5,6 ,7,8); ZEMGGZBWXRYJHK-UHFFFAOYSA-N |
O=C1C=CNC(=S)N1; O=C1NC(=S)NC=C1; C1=CNC (=S)NC1=O |
2-thioxo-2,3-dihydropyrimidin-4(1H)-one |
| 42639 |  TUM |
9 | C37 H60 N4 O16 | InChI=1S/C37H60N4O16/c1-1 8(2)12-10-8-6-4-5-7-9-11- 13-23(45)39-26-30(50)27(4 7)21(54-36(26)57-35-25(38 -19(3)43)29(49)28(48)22(1 7-42)55-35)16-20(44)33-31 (51)32(52)34(56-33)41-15- 14-24(46)40-37(41)53/h11, 13-15,18,20-22,25-36,42,4 4,47-52H,4-10,12,16-17H2, 1-3H3,(H,38,43)(H,39,45)( H,40,46,53)/t20-,21-,22-, 25-,26-,27+,28-,29-,30-,3 1+,32-,33-,34-,35-,36+/m1 /s1; YJQCOFNZVFGCAF-DCSBULBVSA-N |
CC(C)CCCCCCCCC=CC(=O)N[CH]1[CH](O)[CH](O )[CH](C[CH](O)[CH]2O[CH]([CH](O)[CH]2O)N 3C=CC(=O)NC3=O)O[CH]1O[CH]4O[CH](CO)[CH] (O)[CH](O)[CH]4NC(C)=O; CC(C)CCCCCCCCC=C C(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC (=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O) O)O)O; CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@H ]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H ]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)C[C@H]( [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N C4=O)O)O)O)O)O; [C@H](C(=O)NC1C(OC(C(C1O )O)CC(C2OC(C(O)C2O)N3C(NC(C=C3)=O)=O)O)O C4OC(CO)C(O)C(O)C4NC(C)=O)=CCCCCCCCCC(C) C; CC(C)CCCCCCCCC=CC(=O)N[C@@H]1[C@@H](O )[C@@H](O)[C@@H](C[C@@H](O)[C@H]2O[C@H]( [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)O[C@H]1 O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4 NC(C)=O |
Tunicamycin |
| 42640 |  TUN DB08658 |
1 | C6 H16 N O3 P | InChI=1S/C6H16NO3P/c1-4-7 (5-2)11(8,9)10-6-3/h4-6H2 ,1-3H3,(H,8,9); DUNFIZRDIMDMIH-UHFFFAOYSA-N |
CCN(CC)[P@](=O)(O)OCC; CCO[P](O)(=O)N(CC )CC; O=P(O)(OCC)N(CC)CC; CCN(CC)P(=O)(O) OCC |
ETHYL HYDROGEN DIETHYLAMIDOPHOSPHATE |
| 42641 |  TUO CHEMBL262628 DB08659 |
1 | C15 H14 N4 O3 S | InChI=1S/C15H14N4O3S/c16- 19-15(20)14-13(9-4-2-1-3- 5-9)11-8-10(23(17,21)22)6 -7-12(11)18-14/h1-8,18H,1 6H2,(H,19,20)(H2,17,21,22 ); PPDLAUCFAOODER-UHFFFAOYSA-N |
c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O) (=O)N; O=S(=O)(c1cc2c(cc1)nc(c2c3ccccc3) C(=O)NN)N; NNC(=O)c1[nH]c2ccc(cc2c1c3ccc cc3)[S](N)(=O)=O |
2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide |
| 42642 |  TUP ZINC000004329336 |
1 | C6 H11 F O5 | InChI=1S/C6H11FO5/c7-3-4( 9)2(1-8)12-6(11)5(3)10/h2 -6,8-11H,1H2/t2-,3+,4-,5- ,6+/m1/s1; BUMRBAMACDBPKO-RXRWUWDJSA-N |
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](F)[C@@H] 1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1 )O)O)F)O)O; OC[CH]1O[CH](O)[CH](O)[CH](F )[CH]1O; FC1C(C(O)OC(C1O)CO)O; C(C1C(C(C (C(O1)O)O)F)O)O |
3-deoxy-3-fluoro-alpha-D-glucopyranose |
| 42643 |  TUQ CHEMBL3770219 ZINC000584905762 |
1 | C20 H24 Cl N5 O2 | InChI=1S/C20H24ClN5O2/c1- 12-16(13(2)26(3)25-12)11- 19-23-24-20(28-19)17-10-1 4(21)4-5-18(17)27-15-6-8- 22-9-7-15/h4-5,10,15,22H, 6-9,11H2,1-3H3; AYWNZLSZEHOECC-UHFFFAOYSA-N |
Cn1nc(C)c(Cc2oc(nn2)c3cc(Cl)ccc3OC4CCNCC 4)c1C; Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(cc c3OC4CCNCC4)Cl |
4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine |
| 42644 |  TUR |
0 | C12 H22 O11 | InChI=1S/C12H22O11/c13-1- 4-6(16)8(18)9(19)11(21-4) 22-10-7(17)5(2-14)23-12(1 0,20)3-15/h4-11,13-20H,1- 3H2/t4-,5-,6-,7-,8+,9-,10 +,11-,12+/m1/s1; DRQXUCVJDCRJDB-UGDNZRGBSA-N |
C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O) O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O [C]2(O)CO)[CH](O)[CH](O)[CH]1O; C([C@@H] 1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@ H]([C@H](O[C@]2(CO)O)CO)O)O)O)O)O; O(C1C (O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O; OC [C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[ C@@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O |
3-O-alpha-D-glucopyranosyl-alpha-D-fructofuranose |
| 42645 |  TUS CHEMBL5315131 ZINC000022056037 |
1 | C23 H29 N O5 | InChI=1S/C23H29NO5/c1-12- 24-23(18(28)11-25)19(29-1 2)9-16-15-5-4-13-8-14(26) 6-7-21(13,2)20(15)17(27)1 0-22(16,23)3/h6-8,15-17,1 9-20,25,27H,4-5,9-11H2,1- 3H3/t15-,16-,17-,19+,20+, 21-,22-,23+/m0/s1; KENSGCYKTRNIST-RVUAFKSESA-N |
CC1=N[C]2([CH](C[CH]3[CH]4CCC5=CC(=O)C=C [C]5(C)[CH]4[CH](O)C[C]23C)O1)C(=O)CO; C 23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC( C)=N5)C(CO)=O)C)O)C; CC1=NC2(C(O1)CC3C2( CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)CO; C C1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@ H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C )C(=O)CO; CC1=N[C@@]2([C@@H](C[C@H]3[C@@ H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O) C[C@]23C)O1)C(=O)CO |
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one |
| 42646 |  TUT ZINC000584905761 |
1 | C21 H24 Cl N3 O3 | InChI=1S/C21H24ClN3O3/c1- 27-17-4-2-3-14(11-17)12-2 0(23)25-21(26)18-13-15(22 )5-6-19(18)28-16-7-9-24-1 0-8-16/h2-6,11,13,16,24H, 7-10,12H2,1H3,(H2,23,25,2 6); ASGVJWYYPPACHP-UHFFFAOYSA-N |
COc1cccc(c1)CC(=N)NC(=O)c2cc(ccc2OC3CCNC C3)Cl; COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2 OC3CCNCC3)c1; [H]/N=C(\Cc1cccc(c1)OC)/NC (=O)c2cc(ccc2OC3CCNCC3)Cl |
5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide |
| 42647 |  TUU |
1 | C14 H17 N3 O2 S | InChI=1S/C14H17N3O2S/c18- 20(19,17-8-3-6-15-7-9-17) 14-11-16-10-12-4-1-2-5-13 (12)14/h1-2,4-5,10-11,15H ,3,6-9H2; YLQVZQMUQBENIS-UHFFFAOYSA-N |
O=[S](=O)(N1CCCNCC1)c2cncc3ccccc23; c1cc c2c(c1)cncc2S(=O)(=O)N3CCCNCC3 |
4-(1,4-diazepan-1-ylsulfonyl)isoquinoline |
| 42648 |  TUV ZINC000071257352 |
1 | C22 H28 O4 | InChI=1S/C22H28O4/c1-13-1 0-18-16-5-4-14-11-15(24)6 -8-20(14,2)17(16)7-9-21(1 8,3)22(13,26)19(25)12-23/ h6-8,11,13,16,18,23,26H,4 -5,9-10,12H2,1-3H3/t13-,1 6-,18-,20+,21+,22+/m1/s1; ZYTXTXAMMDTYDQ-YDOWFDMNSA-N |
C[CH]1C[CH]2[CH]3CCC4=CC(=O)C=C[C]4(C)C3 =CC[C]2(C)[C]1(O)C(=O)CO; C[C@@H]1C[C@@H ]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@] 2(C)[C@@]1(O)C(=O)CO; C[C@@H]1C[C@@H]2[C @@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C @]1(C(=O)CO)O)C)C; C12(C)C=CC(=O)C=C1CCC 4C2=CCC3(C)C(C(CO)=O)(C(CC34)C)O; CC1CC2 C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O) C)C |
vamorolone; (8alpha,14beta,16alpha,17alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione |
| 42649 |  TUW CHEMBL4859962 |
1 | C29 H27 Cl F N3 O4 | InChI=1S/C29H27ClFN3O4/c1 -27(2,37)20-11-23-25(24(3 1)12-20)29(19-4-6-21(30)7 -5-19,38-17-28(16-35)9-10 -28)34(26(23)36)15-22-8-3 -18(13-32)14-33-22/h3-8,1 1-12,14,35,37H,9-10,15-17 H2,1-2H3/t29-/m1/s1; GDVBWGYVVZIZIR-GDLZYMKVSA-N |
CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc( cn3)C#N)(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC( C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)C#N )(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC(C)(O)c1 cc(F)c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C]2(O CC4(CO)CC4)c5ccc(Cl)cc5; CC(C)(O)c1cc(F) c2c(c1)C(=O)N(Cc3ccc(cn3)C#N)[C@@]2(OCC4 (CO)CC4)c5ccc(Cl)cc5 |
6-[[(1~{R})-1-(4-chlorophenyl)-7-fluoranyl-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-2-yl]methyl]pyridine-3-carbonitrile |
| 42650 |  TUX CHEMBL1236446 DB01991 ZINC000058661188 |
3 | C22 H41 N O7 | InChI=1S/C22H41NO7/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 20(26)30-22-17(14-19(25)2 3-28)16-29-18(15-24)21(22 )27/h17-18,21-22,24,27-28 H,2-16H2,1H3,(H,23,25)/t1 7-,18+,21+,22+/m0/s1; INAPDIIIYSWKOC-XHIHJMKYSA-N |
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@H]( CO)[C@H]1O)CC(=O)NO; CCCCCCCCCCCCCC(=O)O [CH]1[CH](CO[CH](CO)[CH]1O)CC(=O)NO; O=C (NO)CC1C(OC(=O)CCCCCCCCCCCCC)C(O)C(OC1)C O; CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](CO[C@ @H]([C@H]1O)CO)CC(=O)NO; CCCCCCCCCCCCCC( =O)OC1C(COC(C1O)CO)CC(=O)NO |
1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL; TU-514 |
| 42651 |  TUY |
2 | C25 H40 N7 O21 P3 S | InChI=1S/C25H40N7O21P3S/c 1-25(2,18(37)21(38)28-4-3 -12(33)27-5-6-57-24(41)15 (35)14(34)23(39)40)8-50-5 6(47,48)53-55(45,46)49-7- 11-17(52-54(42,43)44)16(3 6)22(51-11)32-10-31-13-19 (26)29-9-30-20(13)32/h9-1 1,14-18,22,34-37H,3-8H2,1 -2H3,(H,27,33)(H,28,38)(H ,39,40)(H,45,46)(H,47,48) (H2,26,29,30)(H2,42,43,44 )/t11-,14-,15-,16-,17-,18 +,22-/m1/s1; WLCAXJYUSAHDIC-HNBYOPSBSA-N |
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]( [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)( O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H]([ C@H](C(=O)O)O)O)O; CC(C)(CO[P](O)(=O)O[P ](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O) (O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC( =O)NCCSC(=O)[CH](O)[CH](O)C(O)=O; CC(C)( CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C @H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc 23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H]( O)[C@@H](O)C(O)=O; CC(C)(COP(=O)(O)OP(=O )(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O) (O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C(C(=O)O) O)O)O; O(P(=O)(O)OCC1C(OP(=O)(O)O)C(O)C( O1)n3cnc2c3ncnc2N)P(OCC(C(C(NCCC(=O)NCCS C(=O)C(C(C(O)=O)O)O)=O)O)(C)C)(O)=O |
(3S,5S,9R,20R,21R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name); Tartryl-CoA |
| 42652 |  TUZ CHEMBL4874698 |
1 | C28 H26 Cl2 F N3 O4 | InChI=1S/C28H26Cl2FN3O4/c 1-26(2,37)17-11-21-23(22( 31)12-17)28(16-3-5-18(29) 6-4-16,38-15-27(9-10-27)2 5(32)36)34(24(21)35)14-20 -8-7-19(30)13-33-20/h3-8, 11-13,37H,9-10,14-15H2,1- 2H3,(H2,32,36)/t28-/m1/s1; QEBHYSMAGWDGTO-MUUNZHRXSA-N |
CC(C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)c n3)[C]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5; CC (C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc(cn 3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O; CC (C)(O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3 )[C@@]2(OCC4(CC4)C(N)=O)c5ccc(Cl)cc5; CC (C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl )(c4ccc(cc4)Cl)OCC5(CC5)C(=O)N)O |
1-[[(1~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-1-(4-chlorophenyl)-7-fluoranyl-3-oxidanylidene-5-(2-oxidanylpropan-2-yl)isoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide |
| 42653 |  TV0 |
1 | C9 H13 N3 O5 S | InChI=1S/C9H13N3O5S/c10-4 -1-2-12(8(16)11-4)7-5(14) 6(15)9(17,3-13)18-7/h1-2, 5-7,13-15,17H,3H2,(H2,10, 11,16)/t5-,6+,7-,9+/m1/s1; NCKQSFKRXULRQX-AYHNYZOXSA-N |
NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O) [CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2S[C@@](O )(CO)[C@@H](O)[C@H]2O; C1=CN(C(=O)N=C1N) [C@H]2[C@@H]([C@@H]([C@@](S2)(CO)O)O)O; C1=CN(C(=O)N=C1N)C2C(C(C(S2)(CO)O)O)O |
4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one |
| 42654 |  TV1 |
3 | C27 H37 N5 O4 | InChI=1S/C27H37N5O4/c1-4- 27(34,35)13-9-5-6-12-22(3 0-25(33)19-16-32(2)17-19) 24-28-15-23(29-24)20-14-1 8-10-7-8-11-21(18)31-26(2 0)36-3/h7-8,10-11,14-15,1 9,22,34-35H,4-6,9,12-13,1 6-17H2,1-3H3,(H,28,29)(H, 30,33)/t22-/m0/s1; REZJYZJEUVOCFM-QFIPXVFZSA-N |
CCC(O)(O)CCCCC[C@H](NC(=O)C1CN(C)C1)c2[n H]c(cn2)c3cc4ccccc4nc3OC; CCC(CCCCCC(c1[ nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4) C)(O)O; c1ccc2c(c1)cc(c(n2)OC)c3cnc(n3)C (CCCCCC(CC)(O)O)NC(C4CN(C4)C)=O; CCC(CCC CC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC (=O)C4CN(C4)C)(O)O; CCC(O)(O)CCCCC[CH](N C(=O)C1CN(C)C1)c2[nH]c(cn2)c3cc4ccccc4nc 3OC |
N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide |
| 42655 |  TV2 CHEMBL3309985 ZINC000098209469 |
1 | C17 H13 N5 O2 | InChI=1S/C17H13N5O2/c18-1 7-20-16-11-3-1-2-4-12(11) 19-15(22(16)21-17)8-10-5- 6-13-14(7-10)24-9-23-13/h 1-7H,8-9H2,(H2,18,21); GPDFQUXFCMBYJK-UHFFFAOYSA-N |
c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5 )N; O1c2ccc(cc2OC1)Cc5nc3ccccc3c4nc(nn45 )N; Nc1nn2c(Cc3ccc4OCOc4c3)nc5ccccc5c2n1 |
5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine |
| 42656 |  TV3 |
3 | C32 H36 N2 O3 | InChI=1S/C32H36N2O3/c1-2- 17-33-18-14-23(21-33)22-3 7-28-11-8-24(9-12-28)30-2 9-13-10-27(35)19-26(29)20 -32(15-16-32)34(30)31(36) 25-6-4-3-5-7-25/h3-13,19, 23,30,35H,2,14-18,20-22H2 ,1H3/t23-,30-/m1/s1; YWXZATRLFWYLOV-WVXBCFDCSA-N |
CCCN1CCC(C1)COc2ccc(cc2)C3c4ccc(cc4CC5(N 3C(=O)c6ccccc6)CC5)O; CCCN1CC[C@H](C1)CO c2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6c cccc6)CC5)O; CCCN1CC[C@@H](COc2ccc(cc2)[ C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc3 6)C1; CCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(= O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CCCN 1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2 )N1C(=O)c1ccccc1 |
[(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42657 |  TV4 CHEMBL1945020 ZINC000073198117 |
2 | C15 H15 Br F2 N4 O3 S | InChI=1S/C15H15BrF2N4O3S/ c1-2-5-26(24,25)22-11-4-3 -10(17)12(13(11)18)15(23) 21-8-6-9(16)14(19)20-7-8/ h3-4,6-7,22H,2,5H2,1H3,(H 2,19,20)(H,21,23); OJZKGEWGLIEDBZ-UHFFFAOYSA-N |
Brc2cc(NC(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F )cnc2N; CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(= O)Nc2cnc(N)c(Br)c2; CCCS(=O)(=O)Nc1ccc(c (c1F)C(=O)Nc2cc(c(nc2)N)Br)F |
N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide |
| 42658 |  TV5 CHEMBL4846050 |
1 | C27 H25 Cl2 F N2 O4 | InChI=1S/C27H25Cl2FN2O4/c 1-25(2,34)17-11-21-23(22( 30)12-17)27(36-15-26(35)9 -10-26,16-3-5-18(28)6-4-1 6)32(24(21)33)14-20-8-7-1 9(29)13-31-20/h3-8,11-13, 34-35H,9-10,14-15H2,1-2H3 /t27-/m1/s1; LAGWUKAFTJACQB-HHHXNRCGSA-N |
CC(C)(c1cc2c(c(c1)F)[C@@](N(C2=O)Cc3ccc( cn3)Cl)(c4ccc(cc4)Cl)OCC5(CC5)O)O; CC(C) (O)c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C @@]2(OCC4(O)CC4)c5ccc(Cl)cc5; CC(C)(c1cc 2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3)Cl)(c4ccc( cc4)Cl)OCC5(CC5)O)O; CC(C)(O)c1cc(F)c2c( c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2(OCC4(O)CC4) c5ccc(Cl)cc5 |
(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[(1-oxidanylcyclopropyl)methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
| 42659 |  TV6 |
2 | C9 H11 Cl2 N O | InChI=1S/C9H11Cl2NO/c1-6( 12)5-13-9-3-7(10)2-8(11)4 -9/h2-4,6H,5,12H2,1H3/t6- /m0/s1; YNVNHWOJYTUTFH-LURJTMIESA-N |
C[C@H](N)COc1cc(Cl)cc(Cl)c1; C[CH](N)COc 1cc(Cl)cc(Cl)c1; CC(COc1cc(cc(c1)Cl)Cl)N |
1-[3,5-bis(chloranyl)phenoxy]propan-2-amine |
| 42660 |  TV7 |
3 | C32 H45 N5 O4 | InChI=1S/C32H45N5O4/c1-4- 32(39,40)14-10-6-7-13-26( 35-29(38)24-20-31(24)15-1 7-37(5-2)18-16-31)28-33-2 1-27(34-28)23-19-22-11-8- 9-12-25(22)36-30(23)41-3/ h8-9,11-12,19,21,24,26,39 -40H,4-7,10,13-18,20H2,1- 3H3,(H,33,34)(H,35,38)/t2 4-,26+/m1/s1; YPIRISRXAGVBOC-RSXGOPAZSA-N |
CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCCC (O)(O)CC)c3[nH]c(cn3)c4cc5ccccc5nc4OC; C CC(CCCCCC(c1[nH]c(cn1)c2cc3ccccc3nc2OC)N C(=O)C4CC45CCN(CC5)CC)(O)O; CCC(CCCCC[C@ @H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[ C@H]4CC45CCN(CC5)CC)(O)O; C(C)C(CCCCCC(c 3ncc(c1c(nc2c(c1)cccc2)OC)n3)NC(=O)C5CC4 5CCN(CC)CC4)(O)O; CCN1CCC2(CC1)C[CH]2C(= O)N[CH](CCCCCC(O)(O)CC)c3[nH]c(cn3)c4cc5 ccccc5nc4OC |
(1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide |
| 42661 |  TV8 |
1 | C12 H17 N5 O4 | InChI=1S/C12H17N5O4/c1-13 -10-7-11(15-4-14-10)17(5- 16-7)12-9(20-2)8(19)6(3-1 8)21-12/h4-6,8-9,12,18-19 H,3H2,1-2H3,(H,13,14,15)/ t6-,8+,9-,12-/m1/s1; GRYSXUXXBDSYRT-IQEPQDSISA-N |
CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)OC; C Nc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@ H](O3)CO)O)OC; CNc1ncnc2n(cnc12)[C@@H]3O [C@H](CO)[C@H](O)[C@H]3OC; CNc1ncnc2n(cn c12)[CH]3O[CH](CO)[CH](O)[CH]3OC |
(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol |
| 42662 |  TV9 ZINC000058277865 |
2 | C11 H14 N2 O | InChI=1S/C11H14N2O/c1-8(1 0-3-2-6-12-7-10)13-11(14) 9-4-5-9/h2-3,6-9H,4-5H2,1 H3,(H,13,14)/t8-/m0/s1; XMSIZXIEDPYJDR-QMMMGPOBSA-N |
CC(c1cccnc1)NC(=O)C2CC2; CC(NC(=O)C1CC1) c1cccnc1; C[C@@H](c1cccnc1)NC(=O)C2CC2; C[C@H](NC(=O)C1CC1)c2cccnc2; C[CH](NC(=O )C1CC1)c2cccnc2 |
N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide |
| 42663 |  TVA ZINC000263621020 |
0 | C13 H22 N2 O3 S | InChI=1S/C13H22N2O3S/c1-2 -4-11(13(17)18)15-8-12(16 )10(14)7-9-5-3-6-19-9/h3, 5-6,10-12,15-16H,2,4,7-8, 14H2,1H3,(H,17,18)/t10-,1 1-,12+/m0/s1; SBDMCSLKBJNTHB-SDDRHHMPSA-N |
CCC[C@H](NC[C@@H](O)[C@@H](N)Cc1sccc1)C( O)=O; CCC[C@@H](C(=O)O)NC[C@H]([C@H](Cc1 cccs1)N)O; O=C(O)C(NCC(O)C(N)Cc1sccc1)CC C; CCC[CH](NC[CH](O)[CH](N)Cc1sccc1)C(O) =O; CCCC(C(=O)O)NCC(C(Cc1cccs1)N)O |
N-[(2R,3S)-3-amino-2-hydroxy-4-(thiophen-2-yl)butyl]-L-norvaline |
| 42664 |  TVB |
1 | C17 H17 N O3 S | InChI=1S/C17H17NO3S/c1-13 -6-9-15-4-2-3-5-17(15)18( 13)22(20,21)16-10-7-14(12 -19)8-11-16/h2-5,7-8,10-1 3H,6,9H2,1H3/t13-/m1/s1; RSNAWSDGPBFBEZ-CYBMUJFWSA-N |
CC1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C=O; C [C@@H]1CCc2ccccc2N1S(=O)(=O)c3ccc(cc3)C= O; C[C@@H]1CCc2ccccc2N1[S](=O)(=O)c3ccc( C=O)cc3; C[CH]1CCc2ccccc2N1[S](=O)(=O)c3 ccc(C=O)cc3 |
4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde |
| 42665 |  TVC CHEMBL4159328 ZINC000002529015 |
3 | C17 H12 O2 | InChI=1S/C17H12O2/c18-17( 19)16-7-3-6-14(11-16)15-9 -8-12-4-1-2-5-13(12)10-15 /h1-11H,(H,18,19); QOPDOKREBSOVNG-UHFFFAOYSA-N |
OC(=O)c1cccc(c1)c2ccc3ccccc3c2; c1ccc2cc (ccc2c1)c3cccc(c3)C(=O)O |
3-naphthalen-2-ylbenzoic acid |
| 42666 |  TVD |
2 | C10 H18 N2 O6 | InChI=1S/C10H18N2O6/c1-4( 14)11-7-9(17)8(16)6(3-13) 18-10(7)12-5(2)15/h6-10,1 3,16-17H,3H2,1-2H3,(H,11, 14)(H,12,15)/t6-,7-,8-,9- ,10-/m1/s1; MVMHZICMHUYFIW-VVULQXIFSA-N |
CC(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 NC(C)=O; CC(=O)NC1C(C(C(OC1NC(=O)C)CO)O) O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@ H]1NC(=O)C)CO)O)O; CC(=O)N[C@@H]1O[C@H]( CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O; O=C(C )NC1C(O)C(O)C(OC1NC(C)=O)CO |
N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine |
| 42667 |  TVE |
2 | C22 H27 N3 O7 S | InChI=1S/C22H27N3O7S/c1-1 0-17(15(9-26)11(2)27)25-1 8(22(31)32)19(10)33-14-7- 16(23-8-14)20(28)24-13-5- 3-4-12(6-13)21(29)30/h3-6 ,9-11,14-16,18-19,23,27H, 7-8H2,1-2H3,(H,24,28)(H,2 9,30)(H,31,32)/t10-,11-,1 4?,15-,16?,18-,19-/m1/s1; IYAWOFDGKUIGMU-BLNVEPNZSA-N |
CC1C(C(N=C1C(C=O)C(C)O)C(=O)O)SC2CC(NC2) C(=O)Nc3cccc(c3)C(=O)O; C[CH](O)[CH](C=O )C1=N[CH]([CH](SC2CNC(C2)C(=O)Nc3cccc(c3 )C(O)=O)[CH]1C)C(O)=O; C[C@@H](O)[C@@H]( C=O)C1=N[C@H]([C@H](SC2CNC(C2)C(=O)Nc3cc cc(c3)C(O)=O)[C@@H]1C)C(O)=O; C[C@H]1[C@ H]([C@@H](N=C1[C@H](C=O)[C@@H](C)O)C(=O) O)SC2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O |
(2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
| 42668 |  TVF |
2 | C31 H34 N2 O3 | InChI=1S/C31H34N2O3/c1-22 -13-16-32(21-22)17-18-36- 27-10-7-23(8-11-27)29-28- 12-9-26(34)19-25(28)20-31 (14-15-31)33(29)30(35)24- 5-3-2-4-6-24/h2-12,19,22, 29,34H,13-18,20-21H2,1H3/ t22-,29-/m1/s1; ULSUZDNWLGJRBJ-KPURRNSFSA-N |
CC1CCN(C1)CCOc2ccc(cc2)C3c4ccc(cc4CC5(N3 C(=O)c6ccccc6)CC5)O; C[C@@H]1CCN(C1)CCOc 2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6cc ccc6)CC5)O; C[CH]1CCN(CCOc2ccc(cc2)[CH]3 N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; C[C@@H]1CCN(CCOc2ccc(cc2)[C@H]3N(C(=O)c 4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CC1CCN( C1)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C (=O)c1ccccc1 |
[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42669 |  TVG |
1 | C9 H18 O6 | InChI=1S/C9H18O6/c1-2-3-1 4-9-7(13)6(12)8(15-9)5(11 )4-10/h5-13H,2-4H2,1H3/t5 -,6-,7-,8+,9-/m1/s1; HCLWENMJMONBDC-GOFVFXDOSA-N |
CCCO[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C @H]1O; OC1C(OC(C1O)OCCC)C(CO)O; CCCO[CH] 1O[CH]([CH](O)CO)[CH](O)[CH]1O; CCCO[C@H ]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O ; CCCOC1C(C(C(O1)C(CO)O)O)O |
propyl beta-D-galactofuranoside |
| 42670 |  TVH CHEMBL4852911 ZINC000072126876 |
4 | C26 H22 Cl2 N2 O5 | InChI=1S/C26H22Cl2N2O5/c2 7-19-8-6-18(7-9-19)26(35- 16-25(15-31)12-13-25)23-2 1(2-1-3-22(23)28)24(32)29 (26)14-17-4-10-20(11-5-17 )30(33)34/h1-11,31H,12-16 H2/t26-/m1/s1; DWRQUFAXBKEFJN-AREMUKBSSA-N |
c1cc2c(c(c1)Cl)C(N(C2=O)Cc3ccc(cc3)[N+]( =O)[O-])(c4ccc(cc4)Cl)OCC5(CC5)CO; OCC1( CC1)CO[C@]2(N(Cc3ccc(cc3)[N+]([O-])=O)C( =O)c4cccc(Cl)c24)c5ccc(Cl)cc5; c1cc2c(c( c1)Cl)[C@@](N(C2=O)Cc3ccc(cc3)[N+](=O)[O -])(c4ccc(cc4)Cl)OCC5(CC5)CO; OCC1(CC1)C O[C]2(N(Cc3ccc(cc3)[N+]([O-])=O)C(=O)c4c ccc(Cl)c24)c5ccc(Cl)cc5 |
(3~{R})-4-chloranyl-3-(4-chlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-2-[(4-nitrophenyl)methyl]isoindol-1-one |
| 42671 |  TVI |
1 | C12 H14 Br N5 O2 | InChI=1S/C12H14BrN5O2/c13 -8-1-10(3-14-2-8)20-7-9-6 -18(17-16-9)11-4-15-5-12( 11)19/h1-3,6,11-12,15,19H ,4-5,7H2/t11-,12-/m1/s1; GZDISGCMSVDHKR-VXGBXAGGSA-N |
O[CH]1CNC[CH]1n2cc(COc3cncc(Br)c3)nn2; O [C@@H]1CNC[C@H]1n2cc(COc3cncc(Br)c3)nn2; c1c(cncc1Br)OCc2cn(nn2)[C@@H]3CNC[C@H]3 O; c1c(cncc1Br)OCc2cn(nn2)C3CNCC3O |
(3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
| 42672 |  TVJ |
24 | C10 H13 N4 O7 P | InChI=1S/C10H13N4O7P/c1-5 -8(15)7(3-13-14-10(17)9(1 1)16)6(2-12-5)4-21-22(18, 19)20/h2-3,15H,4H2,1H3,(H 2,11,16)(H,14,17)(H2,18,1 9,20)/b13-3+; QXOGMDGTZNDNSY-QLKAYGNNSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/NC(=O)C(=O )N)O; Cc1ncc(CO[P](O)(O)=O)c(\C=N\NC(=O) C(N)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=N NC(=O)C(=O)N)O; Cc1ncc(CO[P](O)(O)=O)c(C =NNC(=O)C(N)=O)c1O |
[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 42673 |  TVK CHEMBL5028664 |
1 | C28 H27 Cl2 F N2 O4 | InChI=1S/C28H27Cl2FN2O4/c 1-26(2,36)18-11-22-24(23( 31)12-18)28(17-3-5-19(29) 6-4-17,37-16-27(15-34)9-1 0-27)33(25(22)35)14-21-8- 7-20(30)13-32-21/h3-8,11- 13,34,36H,9-10,14-16H2,1- 2H3/t28-/m1/s1; WLOCTJJGJPSXJZ-MUUNZHRXSA-N |
CC(C)(c1cc2c(c(c1)F)C(N(C2=O)Cc3ccc(cn3) Cl)(c4ccc(cc4)Cl)OCC5(CC5)CO)O; CC(C)(O) c1cc(F)c2c(c1)C(=O)N(Cc3ccc(Cl)cn3)[C]2( OCC4(CO)CC4)c5ccc(Cl)cc5; CC(C)(c1cc2c(c (c1)F)[C@@](N(C2=O)Cc3ccc(cn3)Cl)(c4ccc( cc4)Cl)OCC5(CC5)CO)O; CC(C)(O)c1cc(F)c2c (c1)C(=O)N(Cc3ccc(Cl)cn3)[C@@]2(OCC4(CO) CC4)c5ccc(Cl)cc5 |
(3~{R})-2-[(5-chloranylpyridin-2-yl)methyl]-3-(4-chlorophenyl)-4-fluoranyl-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-(2-oxidanylpropan-2-yl)isoindol-1-one |
| 42674 |  TVL |
2 | C31 H34 N2 O3 | InChI=1S/C31H34N2O3/c1-22 -6-5-17-32(22)18-19-36-27 -12-9-23(10-13-27)29-28-1 4-11-26(34)20-25(28)21-31 (15-16-31)33(29)30(35)24- 7-3-2-4-8-24/h2-4,7-14,20 ,22,29,34H,5-6,15-19,21H2 ,1H3/t22-,29-/m1/s1; OHGGEJWEOMFUHC-KPURRNSFSA-N |
C[CH]1CCCN1CCOc2ccc(cc2)[CH]3N(C(=O)c4cc ccc4)C5(CC5)Cc6cc(O)ccc36; CC1CCCN1CCOc2 ccc(cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)C C5)O; CC1CCCN1CCOc1ccc(cc1)C1c2ccc(O)cc2 CC2(CC2)N1C(=O)c1ccccc1; C[C@@H]1CCCN1CC Oc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6 ccccc6)CC5)O; C[C@@H]1CCCN1CCOc2ccc(cc2) [C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6cc(O)ccc 36 |
[(1'R)-6'-hydroxy-1'-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42675 |  TVM |
1 | C14 H20 O7 | InChI=1S/C14H20O7/c1-19-9 -4-2-3-8(5-9)7-20-13-11(1 6)10(6-15)21-14(18)12(13) 17/h2-5,10-18H,6-7H2,1H3/ t10-,11+,12-,13+,14-/m1/s 1; UGTWEYDLNXWGMR-XHJNMGKDSA-N |
COc1cccc(c1)COC2C(C(OC(C2O)O)CO)O; COc1c ccc(CO[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO) [C@@H]2O)c1; COc1cccc(c1)CO[C@H]2[C@H]([ C@H](O[C@H]([C@@H]2O)O)CO)O; C2(O)C(OCc1 cc(ccc1)OC)C(C(OC2CO)O)O; COc1cccc(CO[CH ]2[CH](O)[CH](O)O[CH](CO)[CH]2O)c1 |
3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose |
| 42676 |  TVN ZINC000016052138 |
1 | C21 H32 N5 O9 P | InChI=1S/C21H32N5O9P/c1-1 1(2)18(21(31)25-15(19(23) 29)10-16(22)27)26-20(30)1 3(9-17(28)24-3)8-12-4-6-1 4(7-5-12)35-36(32,33)34/h 4-7,11,13,15,18H,8-10H2,1 -3H3,(H2,22,27)(H2,23,29) (H,24,28)(H,25,31)(H,26,3 0)(H2,32,33,34)/t13-,15+, 18+/m1/s1; CCEFGGFBPGVHRR-XUWXXGDYSA-N |
CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N) NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O) NC; CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1 )C(=O)N[CH](C(C)C)C(=O)N[CH](CC(N)=O)C(N )=O; CNC(=O)C[C@@H](Cc1ccc(O[P](O)(O)=O) cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N )=O)C(N)=O; CC(C)C(C(=O)NC(CC(=O)N)C(=O) N)NC(=O)C(Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC ; O=C(N)CC(C(=O)N)NC(=O)C(NC(=O)C(CC(=O) NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)C |
N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamide |
| 42677 |  TVO ZINC000223530144 |
1 | C13 H18 N2 O | InChI=1S/C13H18N2O/c16-13 -8-14-7-12(13)15-6-5-10-3 -1-2-4-11(10)9-15/h1-4,12 -14,16H,5-9H2/t12-,13-/m1 /s1; YOMLWJZQKDDDDV-CHWSQXEVSA-N |
c1ccc2c(c1)CCN(C2)[C@@H]3CNC[C@H]3O; O[C @@H]1CNC[C@H]1N2CCc3ccccc3C2; O[CH]1CNC[ CH]1N2CCc3ccccc3C2; c1ccc2c(c1)CCN(C2)C3 CNCC3O |
(3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol |
| 42678 |  TVP ZINC000000249636 |
5 | C12 H15 N O | InChI=1S/C12H15NO/c1-9-7- 8-11-5-3-4-6-12(11)13(9)1 0(2)14/h3-6,9H,7-8H2,1-2H 3/t9-/m0/s1; IJTWYLGCGAIGAQ-VIFPVBQESA-N |
C[C@H]1CCc2ccccc2N1C(=O)C; CC1CCc2ccccc2 N1C(=O)C; C[CH]1CCc2ccccc2N1C(C)=O; C[C@ H]1CCc2ccccc2N1C(C)=O; O=C(N2c1ccccc1CCC 2C)C |
(2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE |
| 42679 |  TVQ ZINC000004642679 |
1 | C5 H9 N O S2 | InChI=1S/C5H9NOS2/c1-9(7) 4-2-3-6-5-8/h2-4H2,1H3/t9 -/m1/s1; LELAOEBVZLPXAZ-SECBINFHSA-N |
C[S@@](=O)CCCN=C=S; CS(=O)CCCN=C=S; C[S] (=O)CCCN=C=S |
1-isothiocyanato-3-methylsulfinyl-propane; iberin |
| 42680 |  TVR ZINC000295069728 |
1 | C10 H12 F N3 O | InChI=1S/C10H12FN3O/c1-7- 5-14(6-9(15)13-7)10-8(11) 3-2-4-12-10/h2-4,7H,5-6H2 ,1H3,(H,13,15)/t7-/m0/s1; ADIKUTCTGUZIDP-ZETCQYMHSA-N |
C[C@H]1CN(CC(=O)N1)c2ncccc2F; CC1CN(CC(= O)N1)c2c(cccn2)F; C[CH]1CN(CC(=O)N1)c2nc ccc2F; C[C@H]1CN(CC(=O)N1)c2c(cccn2)F; F c1cccnc1N1CC(=O)NC(C)C1 |
(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one |
| 42681 |  TVS CHEMBL239456 ZINC000028871852 |
2 | C11 H19 N O6 | InChI=1S/C11H19NO6/c1-3-4 -17-11-8(12-6(2)14)10(16) 9(15)7(5-13)18-11/h3,7-11 ,13,15-16H,1,4-5H2,2H3,(H ,12,14)/t7-,8-,9-,10-,11- /m1/s1; GFLRLITULFAIEW-ISUQUUIWSA-N |
CC(=O)NC1C(C(C(OC1OCC=C)CO)O)O; CC(=O)N[ C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO )O)O; CC(=O)NC1C(OC[C@H]=C)OC(CO)C(C1O)O ; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H]( CO)O[C@H]1OCC=C; CC(=O)N[CH]1[CH](O)[CH] (O)[CH](CO)O[CH]1OCC=C |
prop-2-en-1-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside |
| 42682 |  TVT CHEMBL3122113 ZINC000103260600 |
2 | C14 H16 F3 N7 | InChI=1S/C14H16F3N7/c1-8- 10(6-24(23-8)13(2,3)7-18) 21-12-20-5-9(14(15,16)17) 11(19-4)22-12/h5-6H,1-4H3 ,(H2,19,20,21,22); ZPPUMAMZIMPJGP-UHFFFAOYSA-N |
Cc1c(cn(n1)C(C)(C)C#N)Nc2ncc(c(n2)NC)C(F )(F)F; CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1 C(F)(F)F |
2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile; 2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile |
| 42683 |  TVU CHEMBL3769688 ZINC000231374576 |
4 | C22 H24 N2 O6 S2 | InChI=1S/C22H24N2O6S2/c1- 24-12-16(13-4-5-17(29-2)1 8(10-13)30-3)20-15(22(24) 26)11-19(31-20)21(25)23-1 4-6-8-32(27,28)9-7-14/h4- 5,10-12,14H,6-9H2,1-3H3,( H,23,25); ZJDRXPZROJHILR-UHFFFAOYSA-N |
CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3) C1=O)c4ccc(c(c4)OC)OC; COc1ccc(cc1OC)C2= CN(C)C(=O)c3cc(sc23)C(=O)NC4CC[S](=O)(=O )CC4 |
N-[1,1-bis(oxidanylidene)thian-4-yl]-7-(3,4-dimethoxyphenyl)-5-methyl-4-oxidanylidene-thieno[3,2-c]pyridine-2-carboxamide |
| 42684 |  TVV |
2 | C9 H14 O6 | InChI=1S/C9H14O6/c1-2-3-1 4-8-6(11)5(4-10)15-9(13)7 (8)12/h1,5-13H,3-4H2/t5-, 6+,7-,8+,9-/m1/s1; IMIDRHABFPPKJX-QKCLAQEOSA-N |
OC[CH]1O[CH](O)[CH](O)[CH](OCC#C)[CH]1O; C#CCO[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O) O)CO)O; C1(O)C(O)C(C(C(O1)CO)O)OCC#C; OC [C@H]1O[C@@H](O)[C@H](O)[C@@H](OCC#C)[C@ H]1O; C#CCOC1C(C(OC(C1O)O)CO)O |
3-O-prop-2-yn-1-yl-beta-D-galactopyranose |
| 42685 |  TVW CHEMBL388593 ZINC000013542589 |
2 | C5 H5 N5 | InChI=1S/C5H5N5/c6-4-3-1- 9-10-5(3)8-2-7-4/h1-2H,(H 3,6,7,8,9,10); LHCPRYRLDOSKHK-UHFFFAOYSA-N |
c1c2c(ncnc2n[nH]1)N; Nc1ncnc2n[nH]cc12 | 1H-pyrazolo[3,4-d]pyrimidin-4-amine; 2~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
| 42686 |  TVX |
2 | C28 H30 N2 O3 | InChI=1S/C28H30N2O3/c1-29 (2)16-17-33-24-11-8-20(9- 12-24)26-25-13-10-23(31)1 8-22(25)19-28(14-15-28)30 (26)27(32)21-6-4-3-5-7-21 /h3-13,18,26,31H,14-17,19 H2,1-2H3/t26-/m1/s1; NLBLVCCZMFPTPD-AREMUKBSSA-N |
CN(C)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N 1C(=O)c1ccccc1; CN(C)CCOc1ccc(cc1)C2c3cc c(cc3CC4(N2C(=O)c5ccccc5)CC4)O; CN(C)CCO c1ccc(cc1)[C@H]2N(C(=O)c3ccccc3)C4(CC4)C c5cc(O)ccc25; CN(C)CCOc1ccc(cc1)[CH]2N(C (=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25; CN(C) CCOc1ccc(cc1)[C@@H]2c3ccc(cc3CC4(N2C(=O) c5ccccc5)CC4)O |
[(1'R)-1'-{4-[2-(dimethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42687 |  TVY |
1 | C14 H21 N O6 | InChI=1S/C14H21NO6/c15-6- 9(8-4-2-1-3-5-8)20-14-13( 19)12(18)11(17)10(7-16)21 -14/h1-5,9-14,16-19H,6-7, 15H2/t9-,10-,11-,12+,13+, 14+/m1/s1; TUDGLRPNTITXOM-TVQXOTEMSA-N |
NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH] 1O)c2ccccc2; NC[C@@H](O[C@H]1O[C@H](CO)[ C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2; c1ccc (cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H ]([C@H](O2)CO)O)O)O; c1cccc(c1)C(OC2C(O) C(C(C(O2)CO)O)O)CN; c1ccc(cc1)C(CN)OC2C( C(C(C(O2)CO)O)O)O |
(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside |
| 42688 |  TVZ CHEMBL4159007 |
4 | C14 H11 N O3 | InChI=1S/C14H11NO3/c15-13 (16)10-6-4-9(5-7-10)11-2- 1-3-12(8-11)14(17)18/h1-8 H,(H2,15,16)(H,17,18); NZYMBNSXWYJPEG-UHFFFAOYSA-N |
NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O; c1cc(c c(c1)C(=O)O)c2ccc(cc2)C(=O)N |
3-(4-aminocarbonylphenyl)benzoic acid |
| 42689 |  TW0 |
2 | C12 H15 N5 O | InChI=1S/C12H15N5O/c18-12 -7-13-6-4-11(12)17-8-10(1 5-16-17)9-3-1-2-5-14-9/h1 -3,5,8,11-13,18H,4,6-7H2/ t11-,12-/m0/s1; HOLBWWKPFXUQIH-RYUDHWBXSA-N |
O[C@H]1CNCC[C@@H]1n2cc(nn2)c3ccccn3; c1c cnc(c1)c2cn(nn2)C3CCNCC3O; c1ccnc(c1)c2c n(nn2)[C@H]3CCNC[C@@H]3O; O[CH]1CNCC[CH] 1n2cc(nn2)c3ccccn3 |
(3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol |
| 42690 |  TW2 CHEMBL5093047 |
1 | C15 H13 F N6 | InChI=1S/C15H13FN6/c1-22- 14(19-7-9-4-2-3-5-11(9)16 )10(6-17)12-13(18)20-8-21 -15(12)22/h2-5,8,19H,7H2, 1H3,(H2,18,20,21); BJAJDULYKUREBF-UHFFFAOYSA-N |
Cn1c2c(c(c1NCc3ccccc3F)C#N)c(ncn2)N; Cn1 c(NCc2ccccc2F)c(C#N)c3c(N)ncnc13 |
4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 4-azanyl-6-[(2-fluorophenyl)methylamino]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 42691 |  TW3 ZINC000255965910 |
51 | C26 H42 N7 O17 P3 S | InChI=1S/C26H42N7O17P3S/c 1-14(2)9-17(35)54-8-7-28- 16(34)5-6-29-24(38)21(37) 26(3,4)11-47-53(44,45)50- 52(42,43)46-10-15-20(49-5 1(39,40)41)19(36)25(48-15 )33-13-32-18-22(27)30-12- 31-23(18)33/h9,12-13,15,1 9-21,25,36-37H,5-8,10-11H 2,1-4H3,(H,28,34)(H,29,38 )(H,42,43)(H,44,45)(H2,27 ,30,31)(H2,39,40,41)/t15- ,19-,20+,21-,25-/m0/s1; BXIPALATIYNHJN-XDPCYSMHSA-N |
CC(=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C )COP(=O)(O)OP(=O)(O)OC[C@H]1[C@H]([C@@H] ([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O) C; CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)C OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n cnc3N)O)OP(=O)(O)O)O)C; CC(C)=CC(=O)SCCN C(=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; CC(C) =CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO [P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O )[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 |
~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate |
| 42692 |  TW5 CHEMBL3355185 ZINC000098209470 |
2 | C33 H30 Cl F N6 O2 | InChI=1S/C33H30ClFN6O2/c3 4-23-5-7-25(8-6-23)40-15- 17-41(18-16-40)26-9-10-28 (29(35)20-26)32(42)39-31( 33(43)38-24-11-13-36-14-1 2-24)19-22-21-37-30-4-2-1 -3-27(22)30/h1-14,20-21,3 1,37H,15-19H2,(H,39,42)(H ,36,38,43)/t31-/m1/s1; JVZAEFLHUYIXPY-WJOKGBTCSA-N |
Fc1cc(ccc1C(=O)N[CH](Cc2c[nH]c3ccccc23)C (=O)Nc4ccncc4)N5CCN(CC5)c6ccc(Cl)cc6; Fc 1cc(ccc1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C( =O)Nc4ccncc4)N5CCN(CC5)c6ccc(Cl)cc6; O=C (Nc1ccncc1)C(NC(=O)c2c(F)cc(cc2)N4CCN(c3 ccc(Cl)cc3)CC4)Cc6c5ccccc5nc6; c1ccc2c(c 1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc (cc4F)N5CCN(CC5)c6ccc(cc6)Cl; c1ccc2c(c1 )c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4 ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl |
(R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(4-chlorophenyl)piperazin-1-yl)-2-fluorobenzamide |
| 42693 |  TW6 |
4 | C27 H28 N2 O3 | InChI=1S/C27H28N2O3/c1-28 -15-16-32-23-10-7-19(8-11 -23)25-24-12-9-22(30)17-2 1(24)18-27(13-14-27)29(25 )26(31)20-5-3-2-4-6-20/h2 -12,17,25,28,30H,13-16,18 H2,1H3/t25-/m1/s1; KHXUKSQBIZHFOJ-RUZDIDTESA-N |
CNCCOc1ccc(cc1)C2c3ccc(cc3CC4(N2C(=O)c5c cccc5)CC4)O; CNCCOc1ccc(cc1)C1c2ccc(O)cc 2CC2(CC2)N1C(=O)c1ccccc1; CNCCOc1ccc(cc1 )[C@@H]2c3ccc(cc3CC4(N2C(=O)c5ccccc5)CC4 )O; CNCCOc1ccc(cc1)[CH]2N(C(=O)c3ccccc3) C4(CC4)Cc5cc(O)ccc25; CNCCOc1ccc(cc1)[C@ H]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)ccc25 |
[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42694 |  TW7 |
2 | C6 H9 F3 O4 | InChI=1S/C6H9F3O4/c7-5-6( 8,9)4(12)3(11)2(1-10)13-5 /h2-5,10-12H,1H2/t2-,3-,4 +,5+/m1/s1; RMSFNMADPLSBKL-MBMOQRBOSA-N |
C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F) O)O)O; C1(F)C(F)(F)C(C(O)C(O1)CO)O; OC[C H]1O[CH](F)C(F)(F)[CH](O)[CH]1O; C(C1C(C (C(C(O1)F)(F)F)O)O)O; OC[C@H]1O[C@H](F)C (F)(F)[C@@H](O)[C@@H]1O |
2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride |
| 42695 |  TW8 |
4 | C15 H14 N2 O3 S | InChI=1S/C15H14N2O3S/c18- 11-12-5-7-13(8-6-12)21(19 ,20)17-10-9-16-14-3-1-2-4 -15(14)17/h1-8,11,16H,9-1 0H2; GOMXOBFYQBMFTF-UHFFFAOYSA-N |
c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O; O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23 |
4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde |
| 42696 |  TWA |
1 | C6 H12 O15 S3 | InChI=1S/C6H12O15S3/c7-1- 2-3(19-22(9,10)11)4(20-23 (12,13)14)5(6(8)18-2)21-2 4(15,16)17/h2-8H,1H2,(H,9 ,10,11)(H,12,13,14)(H,15, 16,17)/t2-,3-,4-,5+,6-/m1 /s1; YDWSJQFKWHSLLK-DGPNFKTASA-N |
C(C1OC(C(OS(O)(=O)=O)C(C1OS(O)(=O)=O)OS( =O)(=O)O)O)O; OC[CH]1O[CH](O)[CH](O[S](O )(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)( =O)=O; C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(= O)(=O)O)OS(=O)(=O)O)O; C([C@@H]1[C@H]([C @H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)OS(=O )(=O)O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O) [C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)=O )[C@@H]1O[S](O)(=O)=O |
2,3,4-tri-O-sulfo-beta-D-altropyranose |
| 42697 |  TWB CHEMBL4560587 ZINC000020762991 |
3 | C12 H13 O5 P | InChI=1S/C12H13O5P/c1-7-3 -10-9(6-18(14,15)16)5-12( 13)17-11(10)4-8(7)2/h3-5H ,6H2,1-2H3,(H2,14,15,16); XVHQGEOFAUWESF-UHFFFAOYSA-N |
Cc1cc2OC(=O)C=C(C[P](O)(O)=O)c2cc1C; Cc1 c(cc2c(c1)OC(C=C2CP(O)(O)=O)=O)C; Cc1cc2 c(cc1C)OC(=O)C=C2CP(=O)(O)O |
[(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid |
| 42698 |  TWC ZINC000034477532 |
4 | C6 H7 F3 N2 O | InChI=1S/C6H7F3N2O/c1-2-1 1-5(12)3-4(10-11)6(7,8)9/ h2-3H2,1H3; NESMTDYSHSBSJX-UHFFFAOYSA-N |
CCN1N=C(CC1=O)C(F)(F)F; CCN1C(=O)CC(=N1) C(F)(F)F; FC(F)(F)C=1CC(=O)N(CC)N=1 |
2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| 42699 |  TWD |
1 | C6 H12 O12 S2 | InChI=1S/C6H12O12S2/c7-1- 2-3(8)4(17-19(10,11)12)5( 6(9)16-2)18-20(13,14)15/h 2-9H,1H2,(H,10,11,12)(H,1 3,14,15)/t2-,3-,4+,5-,6+/ m0/s1; ORUZACWROKWTRH-MDMQIMBFSA-N |
OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O [S](O)(=O)=O)[CH]1O; C(C1C(C(C(C(O1)O)OS (=O)(=O)O)OS(=O)(=O)O)O)O; C(C1C(C(C(C(O 1)O)OS(O)(=O)=O)OS(=O)(O)=O)O)O; C([C@H] 1[C@@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)( =O)O)OS(=O)(=O)O)O)O; OC[C@@H]1O[C@@H](O )[C@@H](O[S](O)(=O)=O)[C@H](O[S](O)(=O)= O)[C@H]1O |
2,3-di-O-sulfo-alpha-L-glucopyranose |
| 42700 |  TWE |
1 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c15-9 -11-5-7-16(8-6-11)14(18)1 3-3-1-12(10-17)2-4-13/h1- 4,10-11H,5-8H2; JTXBUBGZUJFNLQ-UHFFFAOYSA-N |
O=Cc1ccc(cc1)C(=O)N2CCC(CC2)C#N; c1cc(cc c1C=O)C(=O)N2CCC(CC2)C#N |
1-(4-methanoylphenyl)carbonylpiperidine-4-carbonitrile |
| 42701 |  TWF |
6 | C28 H30 N2 O3 | InChI=1S/C28H30N2O3/c1-2- 29-16-17-33-24-11-8-20(9- 12-24)26-25-13-10-23(31)1 8-22(25)19-28(14-15-28)30 (26)27(32)21-6-4-3-5-7-21 /h3-13,18,26,29,31H,2,14- 17,19H2,1H3/t26-/m1/s1; MSGSRDMXJDRAEG-AREMUKBSSA-N |
CCNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C (=O)c1ccccc1; CCNCCOc1ccc(cc1)C2c3ccc(cc 3CC4(N2C(=O)c5ccccc5)CC4)O; CCNCCOc1ccc( cc1)[C@@H]2c3ccc(cc3CC4(N2C(=O)c5ccccc5) CC4)O; CCNCCOc1ccc(cc1)[C@H]2N(C(=O)c3cc ccc3)C4(CC4)Cc5cc(O)ccc25; CCNCCOc1ccc(c c1)[CH]2N(C(=O)c3ccccc3)C4(CC4)Cc5cc(O)c cc25 |
[(1'R)-1'-{4-[2-(ethylamino)ethoxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42702 |  TWG |
0 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-3-2( 1-12)11-6(10)5(9)4(3)8/h2 -10,12H,1H2/t2-,3-,4+,5+, 6+/m1/s1; OMLRWUJGVBOYQP-PQMKYFCFSA-N |
C(C1C(C(C(C(O1)O)O)O)O)S; O[C@H]1O[C@H]( CS)[C@@H](O)[C@H](O)[C@@H]1O; O[CH]1O[CH ](CS)[CH](O)[CH](O)[CH]1O; C1(OC(C(C(C1O )O)O)CS)O; C([C@@H]1[C@H]([C@@H]([C@@H]( [C@H](O1)O)O)O)O)S |
6-thio-alpha-D-mannopyranose |
| 42703 |  TWH CHEMBL5086513 |
1 | C13 H16 N6 | InChI=1S/C13H16N6/c1-8-4- 3-5-19(8)13-9(6-14)10-11( 15)16-7-17-12(10)18(13)2/ h7-8H,3-5H2,1-2H3,(H2,15, 16,17)/t8-/m1/s1; DCOXMFDDEKIJAR-MRVPVSSYSA-N |
C[C@@H]1CCCN1c2c(c3c(ncnc3n2C)N)C#N; C[C @@H]1CCCN1c2n(C)c3ncnc(N)c3c2C#N; CC1CCC N1c2c(c3c(ncnc3n2C)N)C#N; C[CH]1CCCN1c2n (C)c3ncnc(N)c3c2C#N |
4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 4-azanyl-7-methyl-6-[(2~{R})-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 42704 |  TWI CHEMBL5429088 |
1 | C21 H18 Cl F3 N4 O2 | InChI=1S/C21H18ClF3N4O2/c 1-29-14-5-4-11(27-13-6-7- 26-19(23)15(13)22)8-12(14 )16-17(20(29)30)31-9-21(2 4,25)18(28-16)10-2-3-10/h 4-8,10,18,28H,2-3,9H2,1H3 ,(H,26,27)/t18-/m0/s1; MCRHRRIGPAVFNY-SFHVURJKSA-N |
CN1c2ccc(cc2C3=C(C1=O)OCC([C@@H](N3)C4CC 4)(F)F)Nc5ccnc(c5Cl)F; CN1c2ccc(cc2C3=C( C1=O)OCC(C(N3)C4CC4)(F)F)Nc5ccnc(c5Cl)F; CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4c c(Nc5ccnc(F)c5Cl)ccc14; CN1C(=O)C2=C(N[C @@H](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5C l)ccc14 |
(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one |
| 42705 |  TWJ |
0 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-1-2- 3(8)4(9)5(10)6(12)11-2/h2 -10,12H,1H2/t2-,3+,4+,5+, 6+/m1/s1; JUSMHIGDXPKSID-URLGYRAOSA-N |
SC1OC(CO)C(C(O)C1O)O; OC[C@H]1O[C@@H](S) [C@@H](O)[C@@H](O)[C@H]1O; C(C1C(C(C(C(O 1)S)O)O)O)O; C([C@@H]1[C@@H]([C@@H]([C@@ H]([C@@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[ CH](O)[CH](O)[CH]1O |
1-thio-beta-D-talopyranose |
| 42706 |  TWK CHEMBL5093192 |
1 | C14 H9 F2 N5 | InChI=1S/C14H9F2N5/c1-21- 12(7-3-2-4-9(15)11(7)16)8 (5-17)10-13(18)19-6-20-14 (10)21/h2-4,6H,1H3,(H2,18 ,19,20); BGLHMMMVKDNVCA-UHFFFAOYSA-N |
Cn1c2ncnc(N)c2c(C#N)c1c3cccc(F)c3F; Cn1c (c(c2c1ncnc2N)C#N)c3cccc(c3F)F |
4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 4-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile |
| 42707 |  TWL ZINC000075945080 |
1 | C10 H14 N2 O2 | InChI=1S/C10H14N2O2/c1-2- 14-10(13)7-3-4-9-8(5-7)6- 11-12-9/h6-7H,2-5H2,1H3,( H,11,12)/t7-/m1/s1; OYSSLPZFSXHQEY-SSDOTTSWSA-N |
CCOC(=O)[CH]1CCc2[nH]ncc2C1; CCOC(=O)C1C Cc2c(cn[nH]2)C1; CCOC(=O)[C@@H]1CCc2c(cn [nH]2)C1; CCOC(=O)[C@@H]1CCc2[nH]ncc2C1 |
ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE |
| 42708 |  TWM CHEMBL4066920 |
1 | C19 H21 N3 O2 | InChI=1S/C19H21N3O2/c1-21 (2)12-16-13-22(18-6-4-3-5 -17(16)18)11-14-7-9-15(10 -8-14)19(23)20-24/h3-10,1 3,24H,11-12H2,1-2H3,(H,20 ,23); LYCCCRFBRDLGGA-UHFFFAOYSA-N |
CN(C)Cc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13; c2n(c1ccccc1c2CN(C)C)Cc3ccc(C(NO)=O)cc3 ; CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)N O |
4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
| 42709 |  TWN ZINC000058661241 |
7 | C22 H42 O3 | InChI=1S/C22H42O3/c1-5-6- 7-8-9-10-11-12-13-14-21(2 3)24-16-15-18(2)22-20(4)1 9(3)17-25-22/h18-20,22H,5 -17H2,1-4H3/t18-,19-,20-, 22-/m0/s1; TWHGDIVTXKNMOZ-XWUOBKMESA-N |
CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([ C@H](CO1)C)C; CCCCCCCCCCCC(=O)OCC[C@H](C )[C@@H]1OC[C@H](C)[C@@H]1C; CCCCCCCCCCCC (=O)OCC[CH](C)[CH]1OC[CH](C)[CH]1C; CCCC CCCCCCCC(=O)OCCC(C)C1C(C(CO1)C)C; O=C(OC CC(C1OCC(C)C1C)C)CCCCCCCCCCC |
(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]BUTYL LAURATE |
| 42710 |  TWO CHEMBL118903 ZINC000000392017 |
6 | C9 H10 O4 | InChI=1S/C9H10O4/c1-12-7- 4-3-6(9(10)11)5-8(7)13-2/ h3-5H,1-2H3,(H,10,11); DAUAQNGYDSHRET-UHFFFAOYSA-N |
O=C(O)c1cc(OC)c(OC)cc1; COc1ccc(cc1OC)C( O)=O; COc1ccc(cc1OC)C(=O)O |
3,4-dimethoxybenzoic acid; VERATRIC ACID |
| 42711 |  TWP CHEMBL3958794 |
1 | C16 H14 N2 O2 | InChI=1S/C16H14N2O2/c19-1 6(17-20)14-7-5-12(6-8-14) 11-18-10-9-13-3-1-2-4-15( 13)18/h1-10,20H,11H2,(H,1 7,19); SUWMPMSWSJBENV-UHFFFAOYSA-N |
ONC(=O)c1ccc(Cn2ccc3ccccc23)cc1; c2cc1c( cccc1)n2Cc3ccc(C(NO)=O)cc3; c1ccc2c(c1)c cn2Cc3ccc(cc3)C(=O)NO |
N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide |
| 42712 |  TWQ |
1 | C13 H16 N2 O4 | InChI=1S/C13H16N2O4/c1-19 -11-3-2-6-14(8-11)13-7-10 (9-16)4-5-12(13)15(17)18/ h4-5,7,9,11H,2-3,6,8H2,1H 3/t11-/m0/s1; JHMYUPYTCMKREX-NSHDSACASA-N |
CO[CH]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O; C O[C@H]1CCCN(C1)c2cc(C=O)ccc2[N](=O)=O; C OC1CCCN(C1)c2cc(ccc2N(=O)=O)C=O; CO[C@H] 1CCCN(C1)c2cc(ccc2N(=O)=O)C=O |
3-[(3~{S})-3-methoxypiperidin-1-yl]-4-nitro-benzaldehyde |
| 42713 |  TWR ZINC000043472240 |
1 | C10 H13 F N2 O2 | InChI=1S/C10H13FN2O2/c1-1 3(2)10(14)6-15-7-3-4-9(12 )8(11)5-7/h3-5H,6,12H2,1- 2H3; VNDZSXJKUDTTMP-UHFFFAOYSA-N |
CN(C)C(=O)COc1ccc(c(c1)F)N; CN(C)C(=O)CO c1ccc(N)c(F)c1 |
2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide |
| 42714 |  TWS CHEMBL4466930 |
1 | C18 H18 N2 O3 | InChI=1S/C18H18N2O3/c21-1 0-9-15-12-20(17-4-2-1-3-1 6(15)17)11-13-5-7-14(8-6- 13)18(22)19-23/h1-8,12,21 ,23H,9-11H2,(H,19,22); ACXGELCLQKZFMQ-UHFFFAOYSA-N |
c1ccc2c(c1)c(cn2Cc3ccc(cc3)C(=O)NO)CCO; OCCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc13; c1 cc(ccc1C(NO)=O)Cn2cc(CCO)c3ccccc23 |
N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide |
| 42715 |  TWT ZINC000006920415 |
0 | C22 H46 | InChI=1S/C22H46/c1-3-5-7- 9-11-13-15-17-19-21-22-20 -18-16-14-12-10-8-6-4-2/h 3-22H2,1-2H3; HOWGUJZVBDQJKV-UHFFFAOYSA-N |
CCCCCCCCCCCCCCCCCCCCCC; C(CCCCCCCCCCCCCC CCCC)CCC |
DOCOSANE |
| 42716 |  TWU CHEMBL5204196 |
2 | C24 H29 Cl N6 O2 | InChI=1S/C24H29ClN6O2/c1- 14-10-17(8-9-33-14)31-20( 32)11-24(2,30-23(31)26)18 -4-3-5-19(21(18)25)29-16- 12-27-22(28-13-16)15-6-7- 15/h3-5,12-15,17,29H,6-11 H2,1-2H3,(H2,26,30)/t14-, 17-,24-/m0/s1; RUZADINCVKIRSK-NPALWHDTSA-N |
C[C@H]1C[C@H](CCO1)N2C(=N)N[C@@](C)(CC2= O)c3cccc(Nc4cnc(nc4)C5CC5)c3Cl; CC1CC(CC O1)N2C(=O)CC(NC2=N)(C)c3cccc(c3Cl)Nc4cnc (nc4)C5CC5; [H]/N=C/1\N[C@](CC(=O)N1[C@H ]2CCO[C@H](C2)C)(C)c3cccc(c3Cl)Nc4cnc(nc 4)C5CC5; Clc1c(Nc2cnc(nc2)C2CC2)cccc1C1( C)CC(=O)N(C2CC(C)OCC2)C(=N)N1; C[CH]1C[C H](CCO1)N2C(=N)N[C](C)(CC2=O)c3cccc(Nc4c nc(nc4)C5CC5)c3Cl |
(2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one |
| 42717 |  TWV CHEMBL3907295 |
1 | C20 H23 N3 O2 | InChI=1S/C20H23N3O2/c1-22 (2)12-11-17-14-23(19-6-4- 3-5-18(17)19)13-15-7-9-16 (10-8-15)20(24)21-25/h3-1 0,14,25H,11-13H2,1-2H3,(H ,21,24); OQQDAERWKGMJMN-UHFFFAOYSA-N |
CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO ; CN(C)CCc1cn(Cc2ccc(cc2)C(=O)NO)c3ccccc 13; c3n(Cc1ccc(cc1)C(NO)=O)c2c(cccc2)c3C CN(C)C |
4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide |
| 42718 |  TWW ZINC000028825351 |
2 | C8 H13 N O4 S2 | InChI=1S/C8H13NO4S2/c1-2- 13-7(12)8(4-14)9-5(3-15-8 )6(10)11/h5,9,14H,2-4H2,1 H3,(H,10,11)/t5-,8+/m0/s1; WWPSFKWMXCRWSJ-YLWLKBPMSA-N |
CCOC(=O)[C]1(CS)N[CH](CS1)C(O)=O; CCOC(= O)[C@]1(CS)N[C@@H](CS1)C(O)=O; CCOC(=O)C 1(NC(CS1)C(=O)O)CS; CCOC(=O)[C@@]1(N[C@@ H](CS1)C(=O)O)CS |
(2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid |
| 42719 |  TWX |
2 | C13 H17 N5 O2 | InChI=1S/C13H17N5O2/c14-9 -1-3-11(4-2-9)20-8-10-7-1 8(17-16-10)12-5-15-6-13(1 2)19/h1-4,7,12-13,15,19H, 5-6,8,14H2/t12-,13-/m1/s1; WHSXTRCFXOPSRO-CHWSQXEVSA-N |
c1cc(ccc1N)OCc2cn(nn2)[C@@H]3CNC[C@H]3O; Nc1ccc(OCc2cn(nn2)[C@@H]3CNC[C@H]3O)cc1 ; c1cc(ccc1N)OCc2cn(nn2)C3CNCC3O; Nc1ccc (OCc2cn(nn2)[CH]3CNC[CH]3O)cc1 |
(3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol |
| 42720 |  TWY |
11 | C5 H10 O4 S | InChI=1S/C5H10O4S/c6-3-2( 10)1-9-5(8)4(3)7/h2-8,10H ,1H2/t2-,3+,4-,5-/m1/s1; MFDZOCXKSSGEBR-KKQCNMDGSA-N |
O[C@@H]1OC[C@@H](S)[C@H](O)[C@H]1O; C1C( C(C(C(O1)O)O)O)S; C1[C@H]([C@@H]([C@H]([ C@@H](O1)O)O)O)S; O[CH]1OC[CH](S)[CH](O) [CH]1O; SC1C(C(C(OC1)O)O)O |
4-thio-beta-D-xylopyranose |
| 42721 |  TWZ |
4 | C48 H39 N3 O10 P2 | InChI=1S/C48H39N3O10P2/c5 2-42(53)20-51-19-21(49-50 -51)9-10-59-63(57,58)61-4 8-45-40-17-38(34-13-30-26 -11-28(32(30)15-36(34)40) 24-7-3-1-5-22(24)26)43(45 )47(60-62(54,55)56)44-39- 18-41(46(44)48)37-16-33-2 9-12-27(31(33)14-35(37)39 )23-6-2-4-8-25(23)29/h1-8 ,13-16,19,26-29,38-41H,9- 12,17-18,20H2,(H,52,53)(H ,57,58)(H2,54,55,56)/t26- ,27+,28+,29-,38-,39+,40+, 41-; GKFPJECGUVOTIP-LKPYISKYSA-N |
OC(=O)Cn1cc(CCO[P](O)(=O)Oc2c3[CH]4C[CH] (c5cc6[CH]7C[CH](c8ccccc78)c6cc45)c3c(O[ P](O)(O)=O)c9[CH]%10C[CH](c%11cc%12[CH]% 13C[CH](c%14ccccc%13%14)c%12cc%10%11)c29 )nn1; OC(=O)Cn1cc(CCO[P](O)(=O)Oc2c3[C@H ]4C[C@H](c5cc6[C@@H]7C[C@@H](c8ccccc78)c 6cc45)c3c(O[P](O)(O)=O)c9[C@H]%10C[C@H]( c%11cc%12[C@@H]%13C[C@@H](c%14ccccc%13%1 4)c%12cc%10%11)c29)nn1; c1ccc2c(c1)C3CC2 c4c3cc5c(c4)C6CC5c7c6c(c8c(c7OP(=O)(O)O) C9CC8c1c9cc2c(c1)C1CC2c2c1cccc2)OP(=O)(O )OCCc1cn(nn1)CC(=O)O; c1ccc2c(c1)[C@H]3C [C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c 8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c 1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)OCCc1 cn(nn1)CC(=O)O |
2-[4-[2-[hydroxy-[[(1R,5S,9S,16R,20R,24S,28S,35R)-22-phosphonooxy-3-tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2,4(21),6(19),7,10,12,14,17,22,25(38),26,29,31,33,36-pentadecaenyl]oxy]phosphoryl]oxyethyl]triazol-1-yl]acetic acid; ExoSTWZ molecular tweezer |
| 42722 |  TX0 CHEMBL164585 ZINC000000158755 |
3 | C5 H4 O2 S | InChI=1S/C5H4O2S/c6-5(7)4 -1-2-8-3-4/h1-3H,(H,6,7); YNVOMSDITJMNET-UHFFFAOYSA-N |
OC(=O)c1cscc1; O=C(O)c1ccsc1; c1cscc1C(= O)O |
thiophene-3-carboxylic acid |
| 42723 |  TX1 CHEMBL1236450 ZINC000058649815 |
8 | C21 H13 Br2 Cl N2 O5 | InChI=1S/C21H13Br2ClN2O5/ c22-13-9-12(11-25-20(27)1 5-6-2-4-8-18(15)26(29)30) 19(16(23)10-13)31-21(28)1 4-5-1-3-7-17(14)24/h1-10H ,11H2,(H,25,27); WKUUVOPOQKZMFY-UHFFFAOYSA-N |
[O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br )c2OC(=O)c3ccccc3Cl; Brc2cc(Br)cc(c2OC(= O)c1ccccc1Cl)CNC(=O)c3ccccc3[N+]([O-])=O ; c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3cc ccc3Cl)Br)Br)[N+](=O)[O-] |
2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate |
| 42724 |  TX2 ZINC000098209471 |
0 | C12 H20 N3 O7 P S | InChI=1S/C12H20N3O7PS/c1- 7-5-15(12(18)14-11(7)17)1 0-4-8(16)9(22-10)6-21-23( 19,20)13-2-3-24/h5,8-10,1 6,24H,2-4,6H2,1H3,(H2,13, 19,20)(H,14,17,18)/t8-,9+ ,10+/m0/s1; NNHLQGCWACQGSN-IVZWLZJFSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2 )CO[P@@](=O)(NCCS)O)O; CC1=CN(C(=O)NC1=O )C2CC(C(O2)COP(=O)(NCCS)O)O; CC1=CN([CH] 2C[CH](O)[CH](CO[P](O)(=O)NCCS)O2)C(=O)N C1=O; CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P] (O)(=O)NCCS)O2)C(=O)NC1=O; O=P(O)(OCC2OC (N1C(=O)NC(=O)C(=C1)C)CC2O)NCCS |
5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine |
| 42725 |  TX3 ZINC000002891742 |
4 | C22 H16 Br2 Cl N O3 | InChI=1S/C22H16Br2ClNO3/c 1-13-6-2-3-7-16(13)22(28) 29-20-14(10-15(23)11-18(2 0)24)12-26-21(27)17-8-4-5 -9-19(17)25/h2-11H,12H2,1 H3,(H,26,27); ZXLLGHNQLPHULK-UHFFFAOYSA-N |
Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3 ccccc3Cl; Cc1ccccc1C(=O)Oc2c(Br)cc(Br)cc 2CNC(=O)c3ccccc3Cl; Brc2cc(Br)cc(c2OC(=O )c1ccccc1C)CNC(=O)c3ccccc3Cl |
2,4-dibromo-6-({[(2-chlorophenyl)carbonyl]amino}methyl)phenyl 2-methylbenzoate |
| 42726 |  TX4 DB03855 ZINC000005829810 |
10 | C4 H12 N O8 P | InChI=1S/C4H12NO8P/c6-2(1 -13-14(10,11)12)3(7)4(8)5 -9/h2-9H,1H2,(H2,10,11,12 )/t2-,3+,4-/m0/s1; CSVKNYIFCYRDJM-NUNKFHFFSA-N |
C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O; ON [CH](O)[CH](O)[CH](O)CO[P](O)(O)=O; O=P( O)(O)OCC(O)C(O)C(O)NO; ON[C@@H](O)[C@H]( O)[C@@H](O)CO[P](O)(O)=O; C(C(C(C(NO)O)O )O)OP(=O)(O)O |
L-THREONOHYDROXAMATE 4-PHOSPHATE |
| 42727 |  TX5 CHEMBL2105107 DB04796 |
1 | C26 H40 O3 | InChI=1S/C26H40O3/c1-18(7 -5-13-25(2,3)29)23-11-12- 24-20(8-6-14-26(23,24)4)1 0-9-19-15-21(27)17-22(28) 16-19/h9-10,18,21-24,27-2 9H,6-8,11-12,14-17H2,1-4H 3/b20-10+/t18-,21-,22-,23 -,24?,26-/m1/s1; HHGRMHMXKPQNGF-XHJOVPLKSA-N |
C[C@H](CC#CC(C)(C)O)[C@H]1CC[C@@H]2C(/CC C[C@]12C)=C/[CH]=[C@@]3C[C@@H](O)[CH2][C @H](O)C3; C[CH](CC#CC(C)(C)O)[CH]1CC[CH] 2C(CCC[C]12C)=C[CH]=[C]3C[CH](O)[CH2][CH ](O)C3; CC(CC#CC(C)(C)O)C1CCC2C1(CCCC2=C C=C3CC(CC(C3)O)O)C; C[C@H](CC#CC(C)(C)O) [C@H]1CCC\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[ C@@H](C3)O)O)C |
(1R,3R)-5-((Z)-2-((1R,7AS)-HEXAHYDRO-1-((S)-6-HYDROXY-6-METHYLHEPT-4-YN-2-YL)-7A-METHYL-1H-INDEN-4(7AH)-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL; 19-NOR-14-EPI-23-YNE-1,25 DIHYDROXYVITAMIN D3; TX522 |
| 42728 |  TX6 ZINC000584905763 |
1 | C17 H21 N3 O2 | InChI=1S/C17H21N3O2/c1-9- 13-6-5-12-15(19-10(2)20-1 6(12)22-4)17(13,3)7-11(8- 18)14(9)21/h9,13,21H,5-7H 2,1-4H3/t9-,13-,17-/m0/s1; LBBXSDQROZEAQX-YHYSRRTLSA-N |
COc1nc(C)nc2c1CC[CH]3[CH](C)C(=C(C[C]23C )C#N)O; COc1nc(C)nc2c1CC[C@H]3[C@H](C)C( =C(C[C@]23C)C#N)O; Cc1nc2c(c(n1)OC)CC[C@ @H]3[C@@]2(CC(=C([C@H]3C)O)C#N)C; Cc1nc2 c(c(n1)OC)CCC3C2(CC(=C(C3C)O)C#N)C; N#CC 1=C(C(C3C(C1)(C)c2nc(C)nc(c2CC3)OC)C)O |
(6aS,7S,10aS)-8-hydroxy-4-methoxy-2,7,10a-trimethyl-5,6,6a,7,10,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile |
| 42729 |  TX7 |
4 | C21 H13 Br3 N2 O5 | InChI=1S/C21H13Br3N2O5/c2 2-14-7-5-12(6-8-14)21(28) 31-19-13(9-15(23)10-17(19 )24)11-25-20(27)16-3-1-2- 4-18(16)26(29)30/h1-10H,1 1H2,(H,25,27); KBKZNODCWQTWQF-UHFFFAOYSA-N |
O=[N+]([O-])c1c(cccc1)C(NCc2c(c(cc(c2)Br )Br)OC(c3ccc(Br)cc3)=O)=O; c1ccc(c(c1)C( =O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br) [N+](=O)[O-]; [O-][N+](=O)c1ccccc1C(=O)N Cc2cc(Br)cc(Br)c2OC(=O)c3ccc(Br)cc3 |
2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-bromobenzoate |
| 42730 |  TX9 |
2 | C34 H40 N2 O3 | InChI=1S/C34H40N2O3/c1-2- 3-7-19-35-20-16-25(23-35) 24-39-30-13-10-26(11-14-3 0)32-31-15-12-29(37)21-28 (31)22-34(17-18-34)36(32) 33(38)27-8-5-4-6-9-27/h4- 6,8-15,21,25,32,37H,2-3,7 ,16-20,22-24H2,1H3/t25-,3 2+/m0/s1; IJSGCDMEERVARD-ZOYWYXQUSA-N |
CCCCCN1CC[C@@H](C1)COc2ccc(cc2)[C@@H]3c4 ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O; CCCCCN 1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2 )N1C(=O)c1ccccc1; CCCCCN1CCC(C1)COc2ccc( cc2)C3c4ccc(cc4CC5(N3C(=O)c6ccccc6)CC5)O ; CCCCCN1CC[CH](COc2ccc(cc2)[CH]3N(C(=O) c4ccccc4)C5(CC5)Cc6cc(O)ccc36)C1; CCCCCN 1CC[C@H](COc2ccc(cc2)[C@H]3N(C(=O)c4cccc c4)C5(CC5)Cc6cc(O)ccc36)C1 |
[(1'R)-6'-hydroxy-1'-(4-{[(3S)-1-pentylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42731 |  TXA ZINC000096095105 |
6 | C15 H21 N6 O11 P | InChI=1S/C15H21N6O11P/c1- 5(22)7(14(25)26)20-15(27) 32-33(28,29)30-2-6-9(23)1 0(24)13(31-6)21-4-19-8-11 (16)17-3-18-12(8)21/h3-7, 9-10,13,22-24H,2H2,1H3,(H ,20,27)(H,25,26)(H,28,29) (H2,16,17,18)/t5-,6-,7+,9 -,10-,13-/m1/s1; GHLUPQUHEIJRCU-DWVDDHQFSA-N |
C[C@@H](O)[C@H](NC(=O)O[P](O)(=O)OC[C@H] 1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc2 3)C(O)=O; O=C(O)C(NC(=O)OP(=O)(O)OCC3OC( n2cnc1c(ncnc12)N)C(O)C3O)C(O)C; CC(C(C(= O)O)NC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2 ncnc3N)O)O)O; C[CH](O)[CH](NC(=O)O[P](O) (=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N )ncnc23)C(O)=O; C[C@H]([C@@H](C(=O)O)NC( =O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H]( O1)n2cnc3c2ncnc3N)O)O)O |
threonylcarbamoyladenylate |
| 42732 |  TXB ZINC000584905764 |
2 | C5 H10 O4 S | InChI=1S/C5H10O4S/c6-3-2( 10)1-9-5(8)4(3)7/h2-8,10H ,1H2/t2-,3+,4-,5+/m1/s1; MFDZOCXKSSGEBR-LECHCGJUSA-N |
C1C(C(C(C(O1)O)O)O)S; C1[C@H]([C@@H]([C@ H]([C@H](O1)O)O)O)S; O[CH]1OC[CH](S)[CH] (O)[CH]1O; O[C@H]1OC[C@@H](S)[C@H](O)[C@ H]1O |
4-deoxy-4-thio-alpha-D-xylopyranose; (2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol; THIOXYLOPYRANOSE; 4-deoxy-4-thio-alpha-D-xylose; 4-deoxy-4-thio-D-xylose; 4-deoxy-4-thio-xylose |
| 42733 |  TXC CHEMBL1349 DB00577 ZINC000001530713 |
2 | C13 H20 N6 O4 | InChI=1S/C13H20N6O4/c1-7( 2)8(14)12(21)23-4-3-22-6- 19-5-16-9-10(19)17-13(15) 18-11(9)20/h5,7-8H,3-4,6, 14H2,1-2H3,(H3,15,17,18,2 0)/t8-/m0/s1; HDOVUKNUBWVHOX-QMMMGPOBSA-N |
CC(C)C(C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N; CC(C)[C@H](N)C(=O)OCCOCn1cnc2C(=O)NC(=Nc 12)N; CC(C)[CH](N)C(=O)OCCOCn1cnc2C(=O)N C(=Nc12)N; O=C2NC(=Nc1c2ncn1COCCOC(=O)C( N)C(C)C)N; CC(C)[C@@H](C(=O)OCCOCn1cnc2c 1N=C(NC2=O)N)N |
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate; Valacyclovir |
| 42734 |  TXD |
12 | C21 H31 N7 O14 P2 | InChI=1S/C21H31N7O14P2/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(32)14(30)11 (41-21)6-39-44(36,37)42-4 3(34,35)38-5-10-13(29)15( 31)20(40-10)27-3-1-2-9(4- 27)18(23)33/h1-2,7-11,13- 16,20-21,29-32H,3-6H2,(H2 ,23,33)(H,34,35)(H,36,37) (H2,22,24,25)/t9?,10-,11- ,13-,14-,15-,16-,20-,21-/ m1/s1; GFDCQHGWOHYWLP-BFAIWXBASA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O )O)O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H] ([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)( O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC (C5)C(=O)N)O)O)O)O)N; NC(=O)[CH]1CN(CC=C 1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[C H]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45) [CH](O)[CH]2O; NC(=O)[C@H]1CN(CC=C1)[C@@ H]2O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@ H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncn c45)[C@@H](O)[C@H]2O |
1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE |
| 42735 |  TXE |
13 | C21 H31 N7 O14 P2 | InChI=1S/C21H31N7O14P2/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(32)14(30)11 (41-21)6-39-44(36,37)42-4 3(34,35)38-5-10-13(29)15( 31)20(40-10)27-3-1-2-9(4- 27)18(23)33/h1,3,7-11,13- 16,20-21,29-32H,2,4-6H2,( H2,23,33)(H,34,35)(H,36,3 7)(H2,22,24,25)/p-2/t9-,1 0-,11-,13-,14-,15-,16-,20 -,21-/m1/s1; FDIVXUDDFSHSAE-MTKBYBFRSA-L |
NC(=O)[C@@H]1CC=CN(C1)[C@@H]2O[C@H](CO[P ](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H]( O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@ H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(= O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC(CC=C5)C( =O)N)O)O)O)O)N; NC(=O)[CH]1CC=CN(C1)[CH] 2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[C H]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O )[CH]2O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]( [C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@ @H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C 5)C(=O)N)O)O)O)O)N |
[[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate; 1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE |
| 42736 |  TXF ZINC000014978677 |
5 | C27 H31 N O3 | InChI=1S/C27H31NO3/c1-28( 2)18-20-31-25-16-12-23(13 -17-25)27(22-10-14-24(30) 15-11-22)26(9-6-19-29)21- 7-4-3-5-8-21/h3-5,7-8,10- 17,29-30H,6,9,18-20H2,1-2 H3/b27-26-; ZVSFNBNLNLXEFQ-RQZHXJHFSA-N |
CN(C)CCOc1ccc(cc1)C(=C(CCCO)c2ccccc2)c3c cc(O)cc3; CN(C)CCOc1ccc(cc1)C(=C(CCCO)\c 2ccccc2)/c3ccc(O)cc3; CN(C)CCOc1ccc(cc1) C(=C(CCCO)c2ccccc2)c3ccc(cc3)O; CN(C)CCO c1ccc(cc1)/C(=C(/CCCO)\c2ccccc2)/c3ccc(c c3)O; O(c1ccc(cc1)/C(c2ccc(O)cc2)=C(\c3c cccc3)CCCO)CCN(C)C |
(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL; GSK5182 |
| 42737 |  TXG |
0 | C34 H44 N4 O7 | InChI=1S/C34H44N4O7/c39-3 0-25(16-8-3-10-18-34(43,4 4)29-22-45-29)35-32(41)28 -17-9-11-19-38(28)33(42)2 7(21-24-14-6-2-7-15-24)37 -31(40)26(36-30)20-23-12- 4-1-5-13-23/h1-2,4-7,12-1 5,25-29,43-44H,3,8-11,16- 22H2,(H,35,41)(H,36,39)(H ,37,40)/t25-,26-,27-,28+, 29-/m0/s1; IQEGEIYGULTIMD-CNXZJCAJSA-N |
OC(O)(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O )[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccccc4)N C1=O)[C@@H]5CO5; c1ccc(cc1)C[C@H]2C(=O)N [C@H](C(=O)N3CCCC[C@@H]3C(=O)N[C@H](C(=O )N2)CCCCCC([C@@H]4CO4)(O)O)Cc5ccccc5; OC (O)(CCCCC[CH]1NC(=O)[CH]2CCCCN2C(=O)[CH] (Cc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC1=O)[C H]5CO5; c1ccc(cc1)CC2C(=O)NC(C(=O)N3CCCC C3C(=O)NC(C(=O)N2)CCCCCC(C4CO4)(O)O)Cc5c cccc5; O=C2C(NC(C(NC(=O)C(CCCCCC(O)(O)C1 OC1)NC(C3CCCCN23)=O)Cc4ccccc4)=O)Cc5cccc c5 |
(3S,6S,9S,15aR)-6,9-dibenzyl-3-{6,6-dihydroxy-6-[(2S)-oxiran-2-yl]hexyl}octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone |
| 42738 |  TXH |
4 | C17 H22 N4 O4 | InChI=1S/C17H22N4O4/c1-17 (2,3)25-16(24)20-14(15(23 )21-19-10-22)8-11-9-18-13 -7-5-4-6-12(11)13/h4-7,9- 10,14,18H,8H2,1-3H3,(H,19 ,22)(H,20,24)(H,21,23)/t1 4-/m0/s1; ARBMGSFDBJHXLA-AWEZNQCLSA-N |
CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C( =O)NNC=O; CC(C)(C)OC(=O)N[C@@H](Cc1c[nH] c2ccccc12)C(=O)NNC=O; CC(C)(C)OC(=O)NC(C c1c[nH]c2c1cccc2)C(=O)NNC=O; CC(C)(C)OC( =O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NNC=O |
~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate |
| 42739 |  TXI ZINC000098209474 |
2 | C10 H18 Cl N O4 | InChI=1S/C10H18ClNO4/c1-1 0(2,6-13)8(15)9(16)12-4-3 -7(14)5-11/h8,13,15H,3-6H 2,1-2H3,(H,12,16)/t8-/m0/ s1; ZTVXVQKLPAOIJF-QMMMGPOBSA-N |
CC(C)(CO)[CH](O)C(=O)NCCC(=O)CCl; CC(C)( CO)C(C(=O)NCCC(=O)CCl)O; CC(C)(CO)[C@@H] (O)C(=O)NCCC(=O)CCl; O=C(NCCC(=O)CCl)C(O )C(C)(C)CO; CC(C)(CO)[C@H](C(=O)NCCC(=O) CCl)O |
(2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide |
| 42740 |  TXJ CHEMBL4594372 |
1 | C8 H16 N3 O12 P3 | InChI=1S/C8H16N3O12P3/c9- 7-1-2-11(8(13)10-7)3-6(4- 12)21-5-24(14,15)22-26(19 ,20)23-25(16,17)18/h1-2,6 ,12H,3-5H2,(H,14,15)(H,19 ,20)(H2,9,10,13)(H2,16,17 ,18)/t6-/m0/s1; FBSIEHDOPYOBJD-LURJTMIESA-N |
C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)OP(=O)( O)OP(=O)(O)O; C1=CN(C(=O)N=C1N)C[C@@H](C O)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O; NC1=NC( =O)N(C[C@@H](CO)OC[P](O)(=O)O[P](O)(=O)O [P](O)(O)=O)C=C1; NC1=NC(=O)N(C[CH](CO)O C[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)C=C1 |
[(2S)-1-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-propan-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid |
| 42741 |  TXK |
2 | C33 H38 N2 O2 | InChI=1S/C33H38N2O2/c1-2- 19-34-20-16-25(23-34)9-8- 24-10-12-26(13-11-24)31-3 0-15-14-29(36)21-28(30)22 -33(17-18-33)35(31)32(37) 27-6-4-3-5-7-27/h3-7,10-1 5,21,25,31,36H,2,8-9,16-2 0,22-23H2,1H3/t25-,31-/m1 /s1; CYCOQNCXAFIALC-OOWIMERYSA-N |
CCCN1CC[C@H](C1)CCc2ccc(cc2)[C@@H]3c4ccc (cc4CC5(N3C(=O)c6ccccc6)CC5)O; CCCN1CC[C H](CCc2ccc(cc2)[CH]3N(C(=O)c4ccccc4)C5(C C5)Cc6cc(O)ccc36)C1; CCCN1CC[C@@H](CCc2c cc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5)Cc6c c(O)ccc36)C1; CCCN1CCC(C1)CCc1ccc(cc1)C1 c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1; CCCN 1CCC(C1)CCc2ccc(cc2)C3c4ccc(cc4CC5(N3C(= O)c6ccccc6)CC5)O |
[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-1-propylpyrrolidin-3-yl]ethyl}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 42742 |  TXL CHEMBL92 DB01248 ZINC000085537053 |
2 | C43 H53 N O14 | InChI=1S/C43H53NO14/c1-22 -26(55-37(51)32(48)30(24- 15-11-9-12-16-24)44-38(52 )58-39(3,4)5)20-43(53)35( 56-36(50)25-17-13-10-14-1 8-25)33-41(8,34(49)31(47) 29(22)40(43,6)7)27(46)19- 28-42(33,21-54-28)57-23(2 )45/h9-18,26-28,30-33,35, 46-48,53H,19-21H2,1-8H3,( H,44,52)/t26-,27-,28+,30- ,31+,32+,33-,35-,41+,42-, 43+/m0/s1; ZDZOTLJHXYCWBA-VCVYQWHSSA-N |
CC(=O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[ CH](OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[C H](O)[CH](NC(=O)OC(C)(C)C)c6ccccc6)C(=C( [CH](O)C3=O)C5(C)C)C; CC1=C2[C@H](C(=O)[ C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C @@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c 5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6cccc c6)(CO4)OC(=O)C)O)C)O; CC1=C2C(C(=O)C3(C (CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc 5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO 4)OC(=O)C)O)C)O; CC(=O)O[C@@]12CO[C@@H]1 C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4cc ccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H] (NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O) C3=O)C5(C)C)C; O=C(OC(C)(C)C)NC(c1ccccc1 )C(O)C(=O)OC4C(=C3C(O)C(=O)C6(C(C(OC(=O) c2ccccc2)C(O)(C3(C)C)C4)C5(OC(=O)C)C(OC5 )CC6O)C)C |
TAXOTERE |
| 42743 |  TXM |
1 | C20 H18 O3 S | InChI=1S/C20H18O3S/c1-12( 2)18(20(21)22)19-15-11-13 (3)6-8-16(15)23-17(19)9-7 -14-5-4-10-24-14/h4-6,8,1 0-12,18H,1-3H3,(H,21,22)/ t18-/m0/s1; FTQGKZDOBXOFOX-SFHVURJKSA-N |
CC(C)[CH](C(O)=O)c1c(oc2ccc(C)cc12)C#Cc3 sccc3; CC(C)[C@H](C(O)=O)c1c(oc2ccc(C)cc 12)C#Cc3sccc3; Cc1ccc2c(c1)c(c(o2)C#Cc3c ccs3)C(C(C)C)C(=O)O; c3cc1c(c(C(C(C)C)C( O)=O)c(o1)C#Cc2sccc2)cc3C; Cc1ccc2c(c1)c (c(o2)C#Cc3cccs3)[C@H](C(C)C)C(=O)O |
(2S)-3-methyl-2-{5-methyl-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}butanoic acid |
| 42744 |  TXN |
2 | C37 H52 N15 O20 P3 | InChI=1S/C37H52N15O20P3/c 1-63-27-25(19(10-54)68-34 (27)51-14-44-23-30(51)46- 36(39)48-32(23)55)71-75(6 1,62)66-11-17-8-50(7-16-6 -41-22-21(16)42-13-43-29( 22)38)9-18(17)70-74(59,60 )67-12-20-26(72-73(57,58) 65-5-3-4-53)28(64-2)35(69 -20)52-15-45-24-31(52)47- 37(40)49-33(24)56/h6,13,1 5,17-20,25-28,34-35,41,53 -54H,3-5,7-12,14H2,1-2H3, (H,57,58)(H,59,60)(H,61,6 2)(H2,38,42,43)(H2,39,48, 55)(H3,40,47,49,56)/t17-, 18+,19-,20-,25-,26-,27-,2 8-,34-,35-/m1/s1; XYVXLTGAFUOPLT-UTNLYJRASA-N |
CO[C@@H]1[C@H](O[P](O)(=O)OC[C@H]2CN(C[C @@H]2O[P](O)(=O)OC[C@H]3O[C@H]([C@H](OC) [C@@H]3O[P](O)(=O)OCCCO)n4cnc5C(=O)N=C(N )Nc45)Cc6c[nH]c7c(N)ncnc67)[C@@H](CO)O[C @H]1N8CN=C9C(=O)N=C(N)N=C89; COC1C(C(OC1 n2cnc3c2NC(=NC3=O)N)COP(=O)(O)OC4CN(CC4C OP(=O)(O)OC5C(OC(C5OC)N6CN=C7C6=NC(=NC7= O)N)CO)Cc8c[nH]c9c8ncnc9N)OP(=O)(O)OCCCO ; CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N C(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H ]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@ H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c 9c8ncnc9N)O[P@@](=O)(O)OCCCO; CO[CH]1[CH ](O[P](O)(=O)OC[CH]2CN(C[CH]2O[P](O)(=O) OC[CH]3O[CH]([CH](OC)[CH]3O[P](O)(=O)OCC CO)n4cnc5C(=O)N=C(N)Nc45)Cc6c[nH]c7c(N)n cnc67)[CH](CO)O[CH]1N8CN=C9C(=O)N=C(N)N= C89; O=C9N=C(N=C1C9=NCN1C8OC(CO)C(OP(=O) (O)OCC7CN(Cc3c2ncnc(N)c2nc3)CC7OP(=O)(O) OCC6OC(n4cnc5c4NC(=NC5=O)N)C(OC)C6OP(=O) (OCCCO)O)C8OC)N |
(2R,3R,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-2-({[(S)-({(3R,4R)-4-({[(S)-{[(2R,3R,4R,5R)-5-(2-amino-6-oxo-6,8-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]pyrrolidin-3-yl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-methoxytetrahydrofuran-3-yl 3-hydroxypropyl hydrogen (S)-phosphate |
| 42745 |  TXO |
2 | C15 H9 F6 N O4 | InChI=1S/C15H9F6NO4/c16-1 4(17,18)7-25-12-10(26-8-4 -2-1-3-5-8)6-9(13(23)24)1 1(22-12)15(19,20)21/h1-6H ,7H2,(H,23,24); XNHJSACITZKERU-UHFFFAOYSA-N |
FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)Oc1c cccc1; OC(=O)c1cc(Oc2ccccc2)c(OCC(F)(F)F )nc1C(F)(F)F; c1ccc(cc1)Oc2cc(c(nc2OCC(F )(F)F)C(F)(F)F)C(=O)O |
5-phenoxy-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid |
| 42746 |  TXP ZINC000098209475 |
7 | C21 H32 N7 O17 P3 | InChI=1S/C21H32N7O17P3/c2 2-17-12-19(25-7-24-17)28( 8-26-12)21-16(44-46(33,34 )35)14(30)11(43-21)6-41-4 8(38,39)45-47(36,37)40-5- 10-13(29)15(31)20(42-10)2 7-3-1-2-9(4-27)18(23)32/h 1-2,7-11,13-16,20-21,29-3 1H,3-6H2,(H2,23,32)(H,36, 37)(H,38,39)(H2,22,24,25) (H2,33,34,35)/t9-,10+,11+ ,13+,14+,15+,16+,20+,21+/ m0/s1; MGWIKFWDIJJFDG-ILTSWSAWSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O P(=O)(O)OCC4C(C(C(O4)N5CC=CC(C5)C(=O)N)O )O)O)OP(=O)(O)O)N; NC(=O)[CH]1CN(CC=C1)[ CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3 O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N )ncnc45)[CH](O)[CH]2O; c1nc(c2c(n1)n(cn2 )[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O )(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@ @H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(= O)(O)O)N; NC(=O)[C@@H]1CN(CC=C1)[C@@H]2O [C@H](CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]3 O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc 5c(N)ncnc45)[C@@H](O)[C@H]2O |
1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE |
| 42747 |  TXQ CHEMBL29898 DB08660 ZINC000003874832 |
4 | C14 H8 O6 | InChI=1S/C14H8O6/c15-6-3- 4-7(16)11-10(6)12(18)5-1- 2-8(17)13(19)9(5)14(11)20 /h1-4,15-17,19H; VBHKTXLEJZIDJF-UHFFFAOYSA-N |
O=C2c1ccc(O)c(O)c1C(=O)c3c2c(O)ccc3O; c1 cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O; Oc 1ccc2C(=O)c3c(O)ccc(O)c3C(=O)c2c1O |
1,2,5,8-tetrahydroxyanthracene-9,10-dione; 1,2,5,8-tetrahydroxy-anthraquinone |
| 42748 |  TXR CHEMBL4646686 ZINC000016398734 |
2 | C12 H8 O5 | InChI=1S/C12H8O5/c13-11(1 4)8-3-1-2-7(6-8)9-4-5-10( 17-9)12(15)16/h1-6H,(H,13 ,14)(H,15,16); IBQCYMBXLOYXCL-UHFFFAOYSA-N |
c1cc(cc(c1)C(=O)O)c2ccc(o2)C(=O)O; OC(=O )c1oc(cc1)c2cccc(c2)C(O)=O |
5-(3-carboxyphenyl)furan-2-carboxylic acid |
| 42749 |  TXS DB08661 ZINC000053683282 |
1 | C14 H21 N3 O4 | InChI=1S/C14H21N3O4/c1-9- 7-17(14(20)15-13(9)19)12- 6-10(18)11(21-12)8-16-4-2 -3-5-16/h7,10-12,18H,2-6, 8H2,1H3,(H,15,19,20)/t10- ,11+,12+/m1/s1; XUSBTLVYPZUOAW-WOPDTQHZSA-N |
CC1=CN([C@@H]2C[C@@H](O)[C@H](CN3CCCC3)O 2)C(=O)NC1=O; CC1=CN([CH]2C[CH](O)[CH](C N3CCCC3)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1C )C2OC(C(O)C2)CN3CCCC3; CC1=CN(C(=O)NC1=O )C2CC(C(O2)CN3CCCC3)O; CC1=CN(C(=O)NC1=O )[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O |
1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione; 5'-deoxy-5'-pyrrolidin-1-ylthymidine |
| 42750 |  TXT ZINC000263620576 |
1 | C31 H55 N O23 | InChI=1S/C31H55NO23/c1-7- 13(32-9-2-8(3-33)14(37)17 (40)15(9)38)16(39)22(45)2 9(49-7)53-26-11(5-35)51-3 1(23(46)19(26)42)55-27-12 (6-36)52-30(24(47)20(27)4 3)54-25-10(4-34)50-28(48) 21(44)18(25)41/h7-48H,2-6 H2,1H3/t7-,8+,9+,10-,11-, 12-,13-,14+,15-,16-,17-,1 8-,19-,20-,21-,22-,23-,24 -,25-,26-,27-,28+,29-,30- ,31-/m1/s1; IVFOOIPIJGLQPY-UHRLXRDBSA-N |
C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@ H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H ]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H] 4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO) CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O )O)CO; C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[ CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[ CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O)O[CH]4 CO)[CH](O)[CH](O)[CH]1N[CH]5C[CH](CO)[CH ](O)[CH](O)[CH]5O; C[C@H]1O[C@H](O[C@H]2 [C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H] 3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H ]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[ C@H](O)[C@H](O)[C@@H]1N[C@H]5C[C@@H](CO) [C@H](O)[C@@H](O)[C@@H]5O; O(C1C(OC(O)C( O)C1O)CO)C5OC(C(OC4OC(CO)C(OC3OC(C)C(NC2 CC(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)C(O)C5 O)CO; CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C (OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O )O)NC5CC(C(C(C5O)O)O)CO |
4,6-dideoxy-4-{[(1S,2R,3R,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-allopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose |
| 42751 |  TXU ZINC000006228343 |
1 | C10 H12 N2 | InChI=1S/C10H12N2/c1-12-7 -3-5-10(12)9-4-2-6-11-8-9 /h2,4-6,8H,3,7H2,1H3; TVKHGXPZBZKXFM-UHFFFAOYSA-N |
CN1CCC=C1c2cccnc2; CN1CCC=C1c1cnccc1 | N-methylmyosmine |
| 42752 |  TXV CHEMBL5440746 |
4 | C25 H17 Cl F2 N4 O2 | InChI=1S/C25H17ClF2N4O2/c 1-25(2,12-29)14-5-3-4-13( 8-14)24(34)32-19-7-6-18(2 7)20(21(19)28)22(33)17-11 -31-23-16(17)9-15(26)10-3 0-23/h3-11H,1-2H3,(H,30,3 1)(H,32,34); GCVULUAJPYRJHT-UHFFFAOYSA-N |
CC(C)(C#N)c1cccc(c1)C(=O)Nc2ccc(c(c2F)C( =O)c3c[nH]c4c3cc(cn4)Cl)F; CC(C)(C#N)c1c ccc(c1)C(=O)Nc2ccc(F)c(c2F)C(=O)c3c[nH]c 4ncc(Cl)cc34 |
~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide |
| 42753 |  TXW CHEMBL3394238 ZINC000138195625 |
1 | C12 H14 N2 O | InChI=1S/C12H14N2O/c1-3-4 -9-7-11-10(8(2)13-9)5-6-1 2(15)14-11/h5-7H,3-4H2,1- 2H3,(H,14,15); GNDSCMXBXGHCIV-UHFFFAOYSA-N |
CCCc1cc2c(c(n1)C)C=CC(=O)N2; CCCc1cc2NC( =O)C=Cc2c(C)n1; O=C2C=Cc1c(nc(cc1N2)CCC) C |
5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one |
| 42754 |  TXY ZINC000098209476 |
0 | C9 H13 N O4 | InChI=1S/C9H13NO4/c10-6(9 (13)14)3-5-1-2-7(11)8(12) 4-5/h1-2,6,8,11-12H,3-4,1 0H2,(H,13,14)/t6-,8-/m0/s 1; RUANPLXTEPCNMW-XPUUQOCRSA-N |
N[CH](CC1=CC=C(O)[CH](O)C1)C(O)=O; O=C(O )C(N)CC1=CC=C(O)C(O)C1; C1C(C(=CC=C1CC(C (=O)O)N)O)O; C1[C@@H](C(=CC=C1C[C@@H](C( =O)O)N)O)O; N[C@@H](CC1=CC=C(O)[C@@H](O) C1)C(O)=O |
3-[(5S)-4,5-dihydroxycyclohexa-1,3-dien-1-yl]-L-alanine |
| 42755 |  TXZ ZINC000013543083 |
12 | C10 H20 N O7 P S | InChI=1S/C10H20NO7PS/c1-7 (18-19(15,16)17)9(10(13)1 4)11-8(12)5-3-2-4-6-20/h7 ,9,20H,2-6H2,1H3,(H,11,12 )(H,13,14)(H2,15,16,17)/t 7-,9+/m1/s1; PRNNQVAYHYUTOD-APPZFPTMSA-N |
C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCS) C(O)=O; O=C(NC(C(=O)O)C(OP(=O)(O)O)C)CCC CCS; C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)O P(=O)(O)O; CC(C(C(=O)O)NC(=O)CCCCCS)OP(= O)(O)O; C[CH](O[P](O)(O)=O)[CH](NC(=O)CC CCCS)C(O)=O |
O-phosphono-N-(6-sulfanylhexanoyl)-L-threonine |
| 42756 |  TY0 ZINC000098209477 |
0 | C14 H21 N O3 | InChI=1S/C14H21NO3/c1-14( 2,3)18-11-6-4-10(5-7-11)8 -12(15)13(17)9-16/h4-7,12 ,16H,8-9,15H2,1-3H3/t12-/ m0/s1; IXPVTSUBBSRKIT-LBPRGKRZSA-N |
CC(C)(C)Oc1ccc(C[C@H](N)C(=O)CO)cc1; CC( C)(C)Oc1ccc(cc1)C[C@@H](C(=O)CO)N; O=C(C O)C(N)Cc1ccc(OC(C)(C)C)cc1; CC(C)(C)Oc1c cc(cc1)CC(C(=O)CO)N; CC(C)(C)Oc1ccc(C[CH ](N)C(=O)CO)cc1 |
(3S)-3-amino-4-(4-tert-butoxyphenyl)-1-hydroxybutan-2-one; Z-Phe-Tyr(OBut)-COCHO |
| 42757 |  TY1 ZINC000004899430 |
0 | C13 H19 N O3 | InChI=1S/C13H19NO3/c1-13( 2,3)17-10-6-4-9(5-7-10)8- 11(14)12(15)16/h4-7,11H,8 ,14H2,1-3H3,(H,15,16)/t11 -/m0/s1; SNZIFNXFAFKRKT-NSHDSACASA-N |
CC(C)(C)Oc1ccc(C[CH](N)C(O)=O)cc1; CC(C) (C)Oc1ccc(C[C@H](N)C(O)=O)cc1; CC(C)(C)O c1ccc(cc1)CC(C(=O)O)N; CC(C)(C)Oc1ccc(cc 1)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1ccc(OC( C)(C)C)cc1 |
O-tert-butyl-L-tyrosine |
| 42758 |  TY2 CHEMBL1236462 ZINC000002560352 |
1 | C9 H12 N2 O3 | InChI=1S/C9H12N2O3/c10-6- 3-5(1-2-8(6)12)4-7(11)9(1 3)14/h1-3,7,12H,4,10-11H2 ,(H,13,14)/t7-/m0/s1; POGSZHUEECCEAP-ZETCQYMHSA-N |
c1cc(c(cc1CC(C(=O)O)N)N)O; N[C@@H](Cc1cc c(O)c(N)c1)C(O)=O; O=C(O)C(N)Cc1ccc(O)c( N)c1; c1cc(c(cc1C[C@@H](C(=O)O)N)N)O; N[ CH](Cc1ccc(O)c(N)c1)C(O)=O |
3-AMINO-L-TYROSINE |
| 42759 |  TY3 CHEMBL1009 DB01235 |
0 | C9 H11 N O4 | InChI=1/C9H11NO4/c10-6(9( 13)14)3-5-1-2-7(11)8(12)4 -5/h1-2,4,6,11-12H,3,10H2 ,(H,13,14)/t6-/m0/s1/f/h1 3H; WTDRDQBEARUVNC-UDXUTFKQDG |
N[CH](Cc1ccc(O)c(O)c1)C(O)=O; O=C(O)C(N) Cc1cc(O)c(O)cc1; c1cc(c(cc1C[C@@H](C(=O) O)N)O)O; N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O; c1cc(c(cc1CC(C(=O)O)N)O)O |
3-HYDROXY-L-TYROSINE |
| 42760 |  TY4 CHEMBL1236463 ZINC000058650835 |
5 | C22 H15 Br Cl3 N O3 | InChI=1S/C22H15BrCl3NO3/c 1-12-8-14(23)9-13(11-27-2 1(28)16-4-2-3-5-18(16)25) 20(12)30-22(29)17-7-6-15( 24)10-19(17)26/h2-10H,11H 2,1H3,(H,27,28); ZKSVHHXAFVAAHC-UHFFFAOYSA-N |
Brc2cc(c(OC(=O)c1ccc(Cl)cc1Cl)c(c2)CNC(= O)c3ccccc3Cl)C; Cc1cc(Br)cc(CNC(=O)c2ccc cc2Cl)c1OC(=O)c3ccc(Cl)cc3Cl; Cc1cc(cc(c 1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl) Br |
4-bromo-2-({[(2-chlorophenyl)carbonyl]amino}methyl)-6-methylphenyl 2,4-dichlorobenzoate |
| 42761 |  TY5 CHEMBL147608 ZINC000000133159 |
0 | C16 H17 N O3 | InChI=1S/C16H17NO3/c17-15 (16(18)19)10-12-6-8-14(9- 7-12)20-11-13-4-2-1-3-5-1 3/h1-9,15H,10-11,17H2,(H, 18,19)/t15-/m0/s1; KAFHLONDOVSENM-HNNXBMFYSA-N |
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O; O= C(O)C(N)Cc2ccc(OCc1ccccc1)cc2; c1ccc(cc1 )COc2ccc(cc2)CC(C(=O)O)N; N[CH](Cc1ccc(O Cc2ccccc2)cc1)C(O)=O; c1ccc(cc1)COc2ccc( cc2)C[C@@H](C(=O)O)N |
O-benzyl-L-tyrosine |
| 42762 |  TY6 |
3 | C6 H15 N3 O5 | InChI=1S/C6H15N3O5/c7-9-8 -1-2-3(10)4(11)5(12)6(13) 14-2/h2-6,8-13H,1,7H2/t2- ,3+,4-,5+,6-/m0/s1; HEZRRHKWEZVWNK-ZSNZIGRDSA-N |
C(C1C(C(C(C(O1)O)O)O)O)NNN; C([C@H]1[C@H ]([C@@H]([C@H]([C@H](O1)O)O)O)O)NNN; NNN C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; NNNC [C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1 O |
(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol |
| 42763 |  TY8 ZINC000058638760 |
0 | C9 H11 N O7 | InChI=1S/C9H11NO7/c10-5(9 (12)13)1-4-2-6(11)8(17-15 )3-7(4)16-14/h2-3,5,11,14 -15H,1,10H2,(H,12,13)/t5- /m0/s1; BYMOOYNBSJDHEX-YFKPBYRVSA-N |
c1c(c(cc(c1O)OO)OO)CC(C(=O)O)N; N[CH](Cc 1cc(O)c(OO)cc1OO)C(O)=O; N[C@@H](Cc1cc(O )c(OO)cc1OO)C(O)=O; c1c(c(cc(c1O)OO)OO)C [C@@H](C(=O)O)N; O=C(O)C(N)Cc1c(OO)cc(OO )c(O)c1 |
2,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
| 42764 |  TY9 ZINC000058638761 |
0 | C9 H11 N O7 | InChI=1S/C9H11NO7/c10-5(9 (12)13)1-4-2-6(11)8(17-15 )7(3-4)16-14/h2-3,5,11,14 -15H,1,10H2,(H,12,13)/t5- /m0/s1; RUCJCFAVRFCOCO-YFKPBYRVSA-N |
c1c(cc(c(c1O)OO)OO)CC(C(=O)O)N; N[CH](Cc 1cc(O)c(OO)c(OO)c1)C(O)=O; N[C@@H](Cc1cc (O)c(OO)c(OO)c1)C(O)=O; O=C(O)C(N)Cc1cc( O)c(OO)c(OO)c1; c1c(cc(c(c1O)OO)OO)C[C@@ H](C(=O)O)N |
3,4-bis(hydroperoxy)-5-hydroxy-L-phenylalanine |
| 42765 |  TYA |
3 | C19 H24 N6 O8 P | InChI=1S/C19H25N6O8P/c20- 11(5-10-1-3-12(26)4-2-10) 6-31-34(29,30)32-7-13-15( 27)16(28)19(33-13)25-9-24 -14-17(21)22-8-23-18(14)2 5/h1-4,8-9,11,13,15-16,19 ,26-28H,5-7,20H2,(H,29,30 )(H2,21,22,23)/p-1/t11-,1 3+,15+,16+,19+/m0/s1; JJLCVHBFTXDJMM-KFAHYOAQSA-M |
N[CH](CO[P]([O-])(=O)OC[CH]1O[CH]([CH](O )[CH]1O)n2cnc3c(N)ncnc23)Cc4ccc(O)cc4; c 1cc(ccc1CC(COP(=O)([O-])OCC2C(C(C(O2)n3c nc4c3ncnc4N)O)O)N)O; N[C@H](CO[P]([O-])( =O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc 3c(N)ncnc23)Cc4ccc(O)cc4; [O-]P(=O)(OCC( N)Cc1ccc(O)cc1)OCC4OC(n3cnc2c(ncnc23)N)C (O)C4O; c1cc(ccc1C[C@@H](CO[P@@](=O)([O- ])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c 3ncnc4N)O)O)N)O |
PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER |
| 42766 |  TYB DB03978 ZINC000002043207 |
0 | C9 H11 N O2 | InChI=1S/C9H11NO2/c10-8(6 -11)5-7-1-3-9(12)4-2-7/h1 -4,6,8,12H,5,10H2/t8-/m0/ s1; DXGAIOIQACHYRK-QMMMGPOBSA-N |
N[CH](Cc1ccc(O)cc1)C=O; N[C@@H](Cc1ccc(O )cc1)C=O; O=CC(N)Cc1ccc(O)cc1; c1cc(ccc1 CC(C=O)N)O; c1cc(ccc1C[C@@H](C=O)N)O |
TYROSINAL |
| 42767 |  TYC DB03380 ZINC000004899513 |
5 | C9 H12 N2 O2 | InChI=1S/C9H12N2O2/c10-8( 9(11)13)5-6-1-3-7(12)4-2- 6/h1-4,8,12H,5,10H2,(H2,1 1,13)/t8-/m0/s1; PQFMNVGMJJMLAE-QMMMGPOBSA-N |
c1cc(ccc1C[C@@H](C(=O)N)N)O; N[CH](Cc1cc c(O)cc1)C(N)=O; c1cc(ccc1CC(C(=O)N)N)O; N[C@@H](Cc1ccc(O)cc1)C(N)=O; O=C(N)C(N)C c1ccc(O)cc1 |
L-TYROSINAMIDE |
| 42768 |  TYD CHEMBL259724 DB03103 ZINC000008215882 |
295 | C10 H16 N2 O11 P2 | InChI=1S/C10H16N2O11P2/c1 -5-3-12(10(15)11-9(5)14)8 -2-6(13)7(22-8)4-21-25(19 ,20)23-24(16,17)18/h3,6-8 ,13H,2,4H2,1H3,(H,19,20)( H,11,14,15)(H2,16,17,18)/ t6-,7+,8+/m0/s1; UJLXYODCHAELLY-XLPZGREQSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2 )CO[P@](=O)(O)OP(=O)(O)O)O; CC1=CN(C(=O) NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O; O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C( =C1)C)CC2O; CC1=CN([CH]2C[CH](O)[CH](CO[ P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O; CC1 =CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O) O[P](O)(O)=O)O2)C(=O)NC1=O |
THYMIDINE-5'-DIPHOSPHATE |
| 42769 |  TYE ZINC000000403178 |
13 | C9 H13 N O2 | InChI=1S/C9H13NO2/c10-8(6 -11)5-7-1-3-9(12)4-2-7/h1 -4,8,11-12H,5-6,10H2/t8-/ m0/s1; DBLDQZASZZMNSL-QMMMGPOBSA-N |
c1cc(ccc1CC(CO)N)O; N[CH](CO)Cc1ccc(O)cc 1; Oc1ccc(cc1)CC(N)CO; N[C@H](CO)Cc1ccc( O)cc1; c1cc(ccc1C[C@@H](CO)N)O |
4-[(2S)-2-amino-3-hydroxypropyl]phenol; tyrosinol; bound form of TYROSINAL |
| 42770 |  TYF CHEMBL1162490 ZINC000000402937 |
3 | C9 H10 O4 | InChI=1S/C9H10O4/c10-7-3- 1-6(2-4-7)5-8(11)9(12)13/ h1-4,8,10-11H,5H2,(H,12,1 3)/t8-/m0/s1; JVGVDSSUAVXRDY-QMMMGPOBSA-N |
O=C(O)C(O)Cc1ccc(O)cc1; c1cc(ccc1C[C@@H] (C(=O)O)O)O; O[C@@H](Cc1ccc(O)cc1)C(O)=O ; c1cc(ccc1CC(C(=O)O)O)O; O[CH](Cc1ccc(O )cc1)C(O)=O |
(2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid |
| 42771 |  TYG CHEMBL5177845 |
1 | C15 H13 N3 O S | InChI=1S/C15H13N3OS/c1-10 -3-2-4-12-14(10)17-13(18- 15(12)19)9-20-11-5-7-16-8 -6-11/h2-8H,9H2,1H3,(H,17 ,18,19); SLMCMRWSQKTOEX-UHFFFAOYSA-N |
Cc1cccc2C(=O)NC(=Nc12)CSc3ccncc3; Cc1ccc c2c1N=C(NC2=O)CSc3ccncc3; c1cc3c(c(C)c1) N=C(CSc2ccncc2)NC3=O |
8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one |
| 42772 |  TYI CHEMBL1236469 DB03374 ZINC000003861723 |
17 | C9 H9 I2 N O3 | InChI=1S/C9H9I2NO3/c10-5- 1-4(2-6(11)8(5)13)3-7(12) 9(14)15/h1-2,7,13H,3,12H2 ,(H,14,15)/t7-/m0/s1; NYPYHUZRZVSYKL-ZETCQYMHSA-N |
c1c(cc(c(c1I)O)I)CC(C(=O)O)N; N[CH](Cc1c c(I)c(O)c(I)c1)C(O)=O; N[C@@H](Cc1cc(I)c (O)c(I)c1)C(O)=O; Ic1cc(cc(I)c1O)CC(C(=O )O)N; c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)N |
3,5-DIIODOTYROSINE |
| 42773 |  TYJ ZINC000098209478 |
0 | C10 H13 N O5 | InChI=1S/C10H13NO5/c1-11- 6(10(15)16)2-5-3-8(13)9(1 4)4-7(5)12/h3-4,6,11-14H, 2H2,1H3,(H,15,16)/t6-/m0/ s1; ZAUUPGAGAXIMDO-LURJTMIESA-N |
CN[C@@H](Cc1cc(c(cc1O)O)O)C(=O)O; O=C(O) C(NC)Cc1c(O)cc(O)c(O)c1; CN[C@@H](Cc1cc( O)c(O)cc1O)C(O)=O; CN[CH](Cc1cc(O)c(O)cc 1O)C(O)=O; CNC(Cc1cc(c(cc1O)O)O)C(=O)O |
2,5-dihydroxy-N-methyl-L-tyrosine |
| 42774 |  TYK CHEMBL42743 DB11475 ZINC000252441679 |
23 | C46 H77 N O17 | InChI=1S/C46H77NO17/c1-13 -33-30(22-58-45-42(57-12) 41(56-11)37(52)26(5)60-45 )18-23(2)14-15-31(49)24(3 )19-29(16-17-48)39(25(4)3 2(50)20-34(51)62-33)64-44 -38(53)36(47(9)10)40(27(6 )61-44)63-35-21-46(8,55)4 3(54)28(7)59-35/h14-15,17 -18,24-30,32-33,35-45,50, 52-55H,13,16,19-22H2,1-12 H3/b15-14+,23-18+/t24-,25 +,26-,27-,28+,29+,30-,32- ,33-,35+,36-,37-,38-,39-, 40-,41-,42-,43+,44+,45-,4 6-/m1/s1; WBPYTXDJUQJLPQ-VMXQISHHSA-N |
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O [C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)( O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C )C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\ [C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H] (OC)[C@H]4OC)C; O=C4C=CC(=CC(COC1OC(C(O) C(OC)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C (OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC= O)CC4C)CC)C; CC[C@@H]1[C@H](\C=C(\C=C\C( =O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC (=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C @H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C )O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H] ([C@@H]([C@@H]([C@H](O4)C)O)OC)OC; CC[CH ]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH]( C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3) [CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O )C=CC(=C[CH]1CO[CH]4O[CH](C)[CH](O)[CH]( OC)[CH]4OC)C; CCC1C(C=C(C=CC(=O)C(CC(C(C (C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C( C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C (C(O4)C)O)OC)OC |
TYLOSIN |
| 42775 |  TYL CHEMBL112 DB00316 ZINC000013550868 |
11 | C8 H9 N O2 | InChI=1S/C8H9NO2/c1-6(10) 9-7-2-4-8(11)5-3-7/h2-5,1 1H,1H3,(H,9,10); RZVAJINKPMORJF-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)O; CC(=O)Nc1ccc(O)cc1; O=C(Nc1ccc(O)cc1)C |
N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) |
| 42776 |  TYM DB01831 ZINC000016051386 |
34 | C21 H24 N7 O8 P | InChI=1S/C21H24N7O8P/c22- 12(5-10-6-24-13-4-2-1-3-1 1(10)13)21(31)36-37(32,33 )34-7-14-16(29)17(30)20(3 5-14)28-9-27-15-18(23)25- 8-26-19(15)28/h1-4,6,8-9, 12,14,16-17,20,24,29-30H, 5,7,22H2,(H,32,33)(H2,23, 25,26)/t12-,14+,16+,17+,2 0+/m0/s1; IFQVDHDRFCKAAW-SQIXAUHQSA-N |
N[CH](Cc1c[nH]c2ccccc12)C(=O)O[P](O)(=O) OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncn c45; c1ccc2c(c1)c(c[nH]2)CC(C(=O)OP(=O)( O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N; O=C (OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3 O)C(N)Cc5c4ccccc4nc5; c1ccc2c(c1)c(c[nH] 2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H ]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N; N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O[P@@](O) (=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cn c5c(N)ncnc45 |
TRYPTOPHANYL-5'AMP |
| 42777 |  TYN ZINC000006548111 |
0 | C15 H16 N4 O4 | InChI=1S/C15H16N4O4/c16-1 0-5-6-12(14-13(10)18-23-1 9-14)22-9-3-1-8(2-4-9)7-1 1(17)15(20)21/h1-6,11,18- 19H,7,16-17H2,(H,20,21)/t 11-/m0/s1; ZNGSFCGILGYFIU-NSHDSACASA-N |
N[C@@H](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O )=O; N[CH](Cc1ccc(Oc2ccc(N)c3NONc23)cc1) C(O)=O; O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12 )N)cc3; c1cc(ccc1CC(C(=O)O)N)Oc2ccc(c3c2 NON3)N; c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc (c3c2NON3)N |
AMINOBENZOFURAZAN-O-TYROSINE |
| 42778 |  TYO |
0 | C9 H13 N O5 | InChI=1S/C9H13NO5/c10-8(9 (12)13)6-7(3-4-11)2-1-5-1 5-14/h1-5,8,11,14H,6,10H2 ,(H,12,13)/b4-3?,5-1+,7-2 +/t8-/m0/s1; AMEKAKFJYGGFTQ-BFJUJRPPSA-N |
C([C@@H](C(=O)O)N)C(=C\C=C\OO)C=CO; C(C( C(=O)O)N)C(=CC=COO)C=CO; N[CH](CC(C=CO)= CC=COO)C(O)=O; O=C(O)C(N)CC(\C=C\O)=C\C= C\OO; N[C@@H](CC(/C=C/O)=C/C=C/OO)C(O)=O |
(4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID |
| 42779 |  TYP CHEMBL359788 DB04520 ZINC000001629943 |
7 | C14 H16 N2 O3 | InChI=1S/C14H16N2O3/c17-1 0-5-3-9(4-6-10)8-11-14(19 )16-7-1-2-12(16)13(18)15- 11/h3-6,11-12,17H,1-2,7-8 H2,(H,15,18)/t11-,12-/m0/ s1; LSGOTAXPWMCUCK-RYUDHWBXSA-N |
c1cc(ccc1CC2C(=O)N3CCCC3C(=O)N2)O; Oc1cc c(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)cc1; c1 cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O; O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3; Oc1c cc(C[CH]2NC(=O)[CH]3CCCN3C2=O)cc1 |
CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR; (3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE |
| 42780 |  TYQ DB02928 |
0 | C9 H12 N2 O4 | InChI=1S/C9H12N2O4/c10-5- 1-4(2-6(11)9(14)15)7(12)3 -8(5)13/h1,3,6,12-13H,2,1 0-11H2,(H,14,15)/t6-/m0/s 1; OIXIYIGKZVEKPI-LURJTMIESA-N |
N[CH](Cc1cc(N)c(O)cc1O)C(O)=O; N[C@@H](C c1cc(N)c(O)cc1O)C(O)=O; c1c(c(cc(c1N)O)O )C[C@@H](C(=O)O)N; c1c(c(cc(c1N)O)O)CC(C (=O)O)N; O=C(O)C(N)Cc1c(O)cc(O)c(N)c1 |
3-AMINO-6-HYDROXY-TYROSINE |
| 42781 |  TYR CHEMBL925 DB00135 ZINC000000266964 |
256 | C9 H11 N O3 | InChI=1S/C9H11NO3/c10-8(9 (12)13)5-6-1-3-7(11)4-2-6 /h1-4,8,11H,5,10H2,(H,12, 13)/t8-/m0/s1; OUYCCCASQSFEME-QMMMGPOBSA-N |
O=C(O)C(N)Cc1ccc(O)cc1; c1cc(ccc1C[C@@H] (C(=O)O)N)O; c1cc(ccc1CC(C(=O)O)N)O; N[C H](Cc1ccc(O)cc1)C(O)=O; N[C@@H](Cc1ccc(O )cc1)C(O)=O |
TYROSINE |
| 42782 |  TYS CHEMBL1236077 ZINC000002556660 |
2 | C9 H11 N O6 S | InChI=1S/C9H11NO6S/c10-8( 9(11)12)5-6-1-3-7(4-2-6)1 6-17(13,14)15/h1-4,8H,5,1 0H2,(H,11,12)(H,13,14,15) /t8-/m0/s1; CIQHWLTYGMYQQR-QMMMGPOBSA-N |
N[CH](Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O; c 1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O; c1 cc(ccc1CC(C(=O)O)N)OS(=O)(=O)O; N[C@@H]( Cc1ccc(O[S](O)(=O)=O)cc1)C(O)=O; O=C(O)C (N)Cc1ccc(OS(=O)(=O)O)cc1 |
O-SULFO-L-TYROSINE |
| 42783 |  TYT |
0 | C18 H20 N2 O4 | InChI=1S/C18H20N2O4/c19-1 3(18(23)24)6-11-7-15(17(2 2)9-16(11)21)20-14-8-12(1 4)10-4-2-1-3-5-10/h1-5,9, 11-14,22H,6-8,19H2,(H,23, 24)/b20-15+; QDTWKLJWNHRCPJ-HMMYKYKNSA-N |
c1ccc(cc1)C2CC2/N=C/3\CC(C(=O)C=C3O)C[C@ @H](C(=O)O)N; NC(CC1CC(=NC2CC2c3ccccc3)C (=CC1=O)O)C(O)=O; O=C(O)C(N)CC3C(=O)C=C( O)/C(=N/C2CC2c1ccccc1)C3; c1ccc(cc1)C2CC 2N=C3CC(C(=O)C=C3O)CC(C(=O)O)N |
TYROSINE DERIVATIVE; 2-AMINO-3-[4-HYDROXY-6-OXO-3-(2-PHENYL-CYCLOPROPYLIMINO)-CYCLOHEXA-1,4-DIENYL]-PROPIONIC ACID |
| 42784 |  TYU ZINC000001703948 |
8 | C9 H16 N2 O6 | InChI=1S/C9H16N2O6/c12-3- 4-6(14)7(15)8(17-4)11-2-1 -5(13)10-9(11)16/h4-8,12- 15H,1-3H2,(H,10,16)/t4-,5 -,6-,7-,8-/m1/s1; UCKYOOZPSJFJIZ-FMDGEEDCSA-N |
C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]( [C@H](O2)CO)O)O; OC[C@H]1O[C@H]([C@H](O) [C@@H]1O)N2CC[C@@H](O)NC2=O; OC[CH]1O[CH ]([CH](O)[CH]1O)N2CC[CH](O)NC2=O; O=C1N( CCC(O)N1)C2OC(C(O)C2O)CO; C1CN(C(=O)NC1O )C2C(C(C(O2)CO)O)O |
TETRAHYDROURIDINE; 1-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-4- HYDROXY-TETRAHYDRO-PYRIMIDIN-2-ONE |
| 42785 |  TYV DB04028 ZINC000006488820 |
2 | C6 H12 O4 | InChI=1S/C6H12O4/c1-3-4(7 )2-5(8)6(9)10-3/h3-9H,2H2 ,1H3/t3-,4+,5+,6+/m1/s1; KYPWIZMAJMNPMJ-VANKVMQKSA-N |
CC1C(CC(C(O1)O)O)O; C[C@@H]1[C@H](C[C@@H ]([C@H](O1)O)O)O; C[CH]1O[CH](O)[CH](O)C [CH]1O; OC1C(OC(O)C(O)C1)C; C[C@H]1O[C@H ](O)[C@@H](O)C[C@@H]1O |
alpha-D-Tyvelopyranose; alpha-D-Tyvelose; 3,6-dideoxy-alpha-D-arabino-hexopyranose; 3,6-dideoxy-alpha-D-mannopyranose; 3,6-dideoxy-alpha-D-altropyranose; 3-deoxy-alpha-D-rhamnopyranose; D-Tyvelose; Tyvelose |
| 42786 |  TYW ZINC000059869516 |
0 | C9 H13 N O3 | InChI=1S/C9H13NO3/c10-8(9 (12)13)5-6-1-3-7(11)4-2-6 /h1-4,8-9,11-13H,5,10H2/t 8-/m0/s1; APPGMLFFWAMCJO-QMMMGPOBSA-N |
N[CH](Cc1ccc(O)cc1)C(O)O; c1cc(ccc1CC(C( O)O)N)O; c1cc(ccc1C[C@@H](C(O)O)N)O; Oc1 ccc(cc1)CC(N)C(O)O; N[C@@H](Cc1ccc(O)cc1 )C(O)O |
(2S)-2-amino-3-(4-hydroxyphenyl)propane-1,1-diol |
| 42787 |  TYX |
0 | C11 H14 N2 O3 S | InChI=1S/C11H14N2O3S/c12- 9(11(15)16)6-17-7-10(14)1 3-8-4-2-1-3-5-8/h1-5,9H,6 -7,12H2,(H,13,14)(H,15,16 )/t9-/m0/s1; KIOKPANRTZJOEP-VIFPVBQESA-N |
c1ccc(cc1)NC(=O)CSC[C@@H](C(=O)O)N; N[CH ](CSCC(=O)Nc1ccccc1)C(O)=O; N[C@@H](CSCC (=O)Nc1ccccc1)C(O)=O; O=C(Nc1ccccc1)CSCC (C(=O)O)N; c1ccc(cc1)NC(=O)CSCC(C(=O)O)N |
S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE |
| 42788 |  TYY DB03631 |
0 | C9 H10 N2 O4 | InChI=1S/C9H10N2O4/c10-5- 1-4(2-6(11)9(14)15)7(12)3 -8(5)13/h1,3,6,10,13H,2,1 1H2,(H,14,15)/b10-5-/t6-/ m0/s1; FKLZKBKFGLLJJV-HPWAZMHGSA-N |
O=C1C=C(O)C(=[N@H])C=C1CC(C(=O)O)N; C1=C (C(=O)C=C(C1=N)O)C[C@@H](C(=O)O)N; C1=C( C(=O)C=C(C1=N)O)CC(C(=O)O)N; N[CH](CC1=C C(=N)C(=CC1=O)O)C(O)=O; N[C@@H](CC1=CC(= N)C(=CC1=O)O)C(O)=O |
3-(4-HYDROXY-3-IMINO-6-OXO-CYCLOHEXA-1,4-DIENYL)-ALANINE |
| 42789 |  TYZ CHEMBL112687 DB04500 ZINC000000000226 |
13 | C9 H9 N O3 | InChI=1S/C9H9NO3/c1-6(11) 10-8-4-2-7(3-5-8)9(12)13/ h2-5H,1H3,(H,10,11)(H,12, 13); QCXJEYYXVJIFCE-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)C(=O)O; O=C(Nc1ccc(cc1) C(=O)O)C; CC(=O)Nc1ccc(cc1)C(O)=O |
PARA ACETAMIDO BENZOIC ACID |
| 42790 |  TZ0 CHEMBL3701238 DB15149 ZINC000207800318 |
18 | C22 H22 N6 O3 | InChI=1S/C22H22N6O3/c1-4- 19(29)27-8-7-15(12-27)28- 22-20(21(23)24-13-25-22)1 8(26-28)6-5-14-9-16(30-2) 11-17(10-14)31-3/h4,9-11, 13,15H,1,7-8,12H2,2-3H3,( H2,23,24,25)/t15-/m0/s1; KEIPNCCJPRMIAX-HNNXBMFYSA-N |
COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O )C=C)c4ncnc(N)c24; COc1cc(OC)cc(c1)C#Cc2 nn([C@H]3CCN(C3)C(=O)C=C)c4ncnc(N)c24; C Oc1cc(OC)cc(c1)C#Cc3c2c(ncnc2N)n(n3)C4CN (CC4)C([C@H]=C)=O; COc1cc(cc(c1)OC)C#Cc2 c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N; C Oc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)C4CCN( C4)C(=O)C=C)N |
1-[(3S)-3-{4-amino-3-[(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}pyrrolidin-1-yl]prop-2-en-1-one |
| 42791 |  TZ1 ZINC000001043169 |
1 | C16 H9 Cl N4 O S3 | InChI=1S/C16H9ClN4OS3/c17 -9-3-4-10-11(8-9)18-6-5-1 2(10)24-16-21-20-15(25-16 )19-14(22)13-2-1-7-23-13/ h1-8H,(H,19,20,22); KWDHWMGDHBBJIA-UHFFFAOYSA-N |
c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4 )Cl; Clc4ccc3c(Sc1nnc(s1)NC(=O)c2sccc2)c cnc3c4; Clc1ccc2c(Sc3sc(NC(=O)c4sccc4)nn 3)ccnc2c1 |
N-{5-[(7-chloroquinolin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}thiophene-2-carboxamide |
| 42792 |  TZ2 CHEMBL4749021 ZINC000225586270 |
4 | C15 H17 N5 | InChI=1S/C15H17N5/c16-20- 18-10-9-17-15-11-5-1-3-7- 13(11)19-14-8-4-2-6-12(14 )15/h1,3,5,7H,2,4,6,8-10H 2,(H,17,19); ANJRGTMSMVLPLB-UHFFFAOYSA-N |
[N-]=[N+]=NCCNc1c2CCCCc2nc3ccccc13; c1cc c2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-] |
~{N}-(2-azidoethyl)-1,2,3,4-tetrahydroacridin-9-amine |
| 42793 |  TZ3 |
2 | C32 H36 N2 O2 S | InChI=1S/C32H36N2O2S/c1-2 -17-33-18-14-23(21-33)22- 37-28-11-8-24(9-12-28)30- 29-13-10-27(35)19-26(29)2 0-32(15-16-32)34(30)31(36 )25-6-4-3-5-7-25/h3-13,19 ,23,30,35H,2,14-18,20-22H 2,1H3/t23-,30+/m0/s1; FFOWVMHPRGKVKO-YUDQIZAISA-N |
CCCN1CCC(C1)CSc2ccc(cc2)C3c4ccc(cc4CC5(N 3C(=O)c6ccccc6)CC5)O; CCCN1CC[C@@H](C1)C Sc2ccc(cc2)[C@@H]3c4ccc(cc4CC5(N3C(=O)c6 ccccc6)CC5)O; CCCN1CCC(C1)CSc1ccc(cc1)C1 c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1; CCCN 1CC[CH](CSc2ccc(cc2)[CH]3N(C(=O)c4ccccc4 )C5(CC5)Cc6cc(O)ccc36)C1; CCCN1CC[C@H](C Sc2ccc(cc2)[C@H]3N(C(=O)c4ccccc4)C5(CC5) Cc6cc(O)ccc36)C1 |
{(1'R)-6'-hydroxy-1'-[4-({[(3S)-1-propylpyrrolidin-3-yl]methyl}sulfanyl)phenyl]-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl}(phenyl)methanone |
| 42794 |  TZ4 CHEMBL455333 DB02226 ZINC000038377621 |
12 | C42 H45 N8 | InChI=1S/C42H44N8/c43-30- 19-21-33-34-22-20-31(44)2 7-40(34)50(42(37(33)26-30 )29-12-4-3-5-13-29)24-11- 2-1-6-14-32-28-49(48-47-3 2)25-23-45-41-35-15-7-9-1 7-38(35)46-39-18-10-8-16- 36(39)41/h3-5,7,9,12-13,1 5,17,19-22,26-28,44H,1-2, 6,8,10-11,14,16,18,23-25, 43H2,(H,45,46)/p+1; NAARZDJZGYBXKL-UHFFFAOYSA-O |
n2c1c(cccc1)c(c3c2CCCC3)NCCn4nnc(c4)CCCC CC[n+]8c5cc(N)ccc5c6ccc(N)cc6c8c7ccccc7; Nc1ccc2c3ccc(N)cc3[n+](CCCCCCc4cn(CCNc5 c6CCCCc6nc7ccccc57)nn4)c(c8ccccc8)c2c1; c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCC Cc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N |
3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM |
| 42795 |  TZ5 CHEMBL117651 DB03005 ZINC000027091884 |
10 | C42 H45 N8 | InChI=1S/C42H44N8/c43-30- 19-21-33-34-22-20-31(44)2 7-40(34)49(42(37(33)26-30 )29-12-4-3-5-13-29)24-11- 2-1-6-14-32-28-46-48-50(3 2)25-23-45-41-35-15-7-9-1 7-38(35)47-39-18-10-8-16- 36(39)41/h3-5,7,9,12-13,1 5,17,19-22,26-28,44H,1-2, 6,8,10-11,14,16,18,23-25, 43H2,(H,45,47)/p+1; ISUOMOOYAOQQPZ-UHFFFAOYSA-O |
c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCC Cc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N; n2c 1c(cccc1)c(c3c2CCCC3)NCCn4nncc4CCCCCC[n+ ]8c5cc(N)ccc5c6ccc(N)cc6c8c7ccccc7; Nc1c cc2c3ccc(N)cc3[n+](CCCCCCc4cnnn4CCNc5c6C CCCc6nc7ccccc57)c(c8ccccc8)c2c1 |
3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM |
| 42796 |  TZ6 |
2 | C17 H18 F2 N2 O4 Ru2 | InChI=1S/C13H10F2N2.2C2H4 O2.2Ru/c14-10-1-5-12(6-2- 10)16-9-17-13-7-3-11(15)4 -8-13;2*1-2(3)4;;/h1-8H,9 H2;2*2H,1H3;;/q3*-2;2*+3; NOQXZAUOMFZMHS-UHFFFAOYSA-N |
CC1O[Ru]23N(CN([Ru]2(O1)OC(O3)C)c4ccc(cc 4)F)c5ccc(cc5)F; CC1O[Ru]23OC(C)O[Ru]2(O 1)N(CN3c4ccc(F)cc4)c5ccc(F)cc5 |
9,11-bis(4-fluorophenyl)-3,7-dimethyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane |
| 42797 |  TZ7 CHEMBL5180051 |
2 | C16 H20 N2 O2 S | InChI=1S/C16H20N2O2S/c1-1 0-3-2-4-13-15(10)17-14(18 -16(13)20)9-21-12-7-5-11( 19)6-8-12/h2-4,11-12,19H, 5-9H2,1H3,(H,17,18,20)/t1 1-,12-; OSFGFBLRIXHPSO-HAQNSBGRSA-N |
Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O; Cc1cc cc2C(=O)NC(=Nc12)CS[C@H]3CC[C@H](O)CC3; Cc1cccc2C(=O)NC(=Nc12)CS[CH]3CC[CH](O)CC 3; c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3 |
2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one |
| 42798 |  TZ8 |
4 | C17 H30 N4 O6 S2 | InChI=1S/C17H30N4O6S2/c1- 2-3-4-5-8-19-17(28)29-10- 12(15(25)20-9-14(23)24)21 -13(22)7-6-11(18)16(26)27 /h11-12H,2-10,18H2,1H3,(H ,19,28)(H,20,25)(H,21,22) (H,23,24)(H,26,27)/t11-,1 2+/m1/s1; XOLGYJMCQDFBBU-NEPJUHHUSA-N |
CCCCCCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC( C(=O)O)N; CCCCCCNC(=S)SC[C@H](NC(=O)CC[C @@H](N)C(O)=O)C(=O)NCC(O)=O; CCCCCCNC(=S )SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O )=O; CCCCCCNC(=S)SC[C@@H](C(=O)NCC(=O)O) NC(=O)CC[C@H](C(=O)O)N |
(2~{R})-2-azanyl-5-[[(2~{R})-3-(hexylcarbamothioylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid |
| 42799 |  TZ9 ZINC000039941619 |
5 | C9 H6 F2 O | InChI=1S/C9H6F2O/c10-7-4- 6-2-1-3-12-9(6)8(11)5-7/h 1-2,4-5H,3H2; DRQKJKGKLYCHHB-UHFFFAOYSA-N |
c1c(cc(c2c1C=CCO2)F)F; Fc1cc(F)c2OCC=Cc2 c1 |
6,8-bis(fluoranyl)chromene |
| 42800 |  TZA ZINC000100032480 |
2 | C10 H16 N2 O2 | InChI=1S/C10H16N2O2/c11-8 -4-1-7(2-5-8)3-6-9(12)10( 13)14/h1-2,4-5,7-9H,3,6,1 1-12H2,(H,13,14)/t7-,8-,9 -/m0/s1; LAJWZJCOWPUSOA-CIUDSAMLSA-N |
C1=CC(C=CC1CCC(C(=O)O)N)N; O=C(O)C(N)CCC 1C=CC(N)C=C1; C1=CC(C=CC1CC[C@@H](C(=O)O )N)N; N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O ; N[C@@H](CC[C@H]1C=C[C@H](N)C=C1)C(O)=O |
TRANS-AMICLENOMYCIN; 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID |