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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 37001 | PCQ CHEMBL83116 DB03346 ZINC000000294550 |
6 | C12 H6 Cl4 O2 | InChI=1S/C12H6Cl4O2/c13-7 -1-5(2-8(14)11(7)17)6-3-9 (15)12(18)10(16)4-6/h1-4, 17-18H; YCYDXOVJXVALHY-UHFFFAOYSA-N |
Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1 c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc 1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2 |
3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL |
| 37002 | PCR CHEMBL16645 DB01688 ZINC000000897142 |
25 | C7 H8 O | InChI=1S/C7H8O/c1-6-2-4-7 (8)5-3-6/h2-5,8H,1H3; IWDCLRJOBJJRNH-UHFFFAOYSA-N |
Cc1ccc(cc1)O; Oc1ccc(cc1)C; Cc1ccc(O)cc1 | P-CRESOL |
| 37003 | PCS DB08374 ZINC000002504633 |
1 | C10 H12 Cl N O | InChI=1S/C10H12ClNO/c11-7 -10(13)9(12)6-8-4-2-1-3-5 -8/h1-5,9H,6-7,12H2/t9-/m 0/s1; CNNSBPMDYXZFTQ-VIFPVBQESA-N |
ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc( cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc 1)C(=O)CCl |
PHENYLALANYLMETHYLCHLORIDE |
| 37004 | PCT | 18 | C2 H6 N O4 P | InChI=1S/C2H6NO4P/c3-2(4) 1-8(5,6)7/h1H2,(H2,3,4)(H 2,5,6,7); AKVIWWJLBFWFLM-UHFFFAOYSA-N |
O=C(N)CP(=O)(O)O; C(C(=O)N)P(=O)(O)O; NC (=O)C[P](O)(O)=O |
PHOSPHONOACETAMIDE |
| 37005 | PCU | 0 | C44 H36 Cu N8 | InChI=1S/C44H36N8.Cu/c1-4 9-21-13-29(14-22-49)41-33 -5-7-35(45-33)42(30-15-23 -50(2)24-16-30)37-9-11-39 (47-37)44(32-19-27-52(4)2 8-20-32)40-12-10-38(48-40 )43(36-8-6-34(41)46-36)31 -17-25-51(3)26-18-31;/h5- 28H,1-4H3;/q-4;+4; VSZLZGDEQJGAOM-UHFFFAOYSA-N |
c56\C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C= CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8 ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78) (n9%10)n%11%12; CN1C=CC(=C2c3ccc4n3[Cu]5 6n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C 2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C) C=C1; CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2 ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C= CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C) C=C%12 |
CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN |
| 37006 | PCV | 1 | C8 H14 N2 O4 | InChI=1S/C8H14N2O4/c9-3-1 -5(11)7(8(13)14)10-4-2-6( 10)12/h5,7,11H,1-4,9H2,(H ,13,14)/t5-,7+/m1/s1; NMCINKPVAOXDJH-VDTYLAMSSA-N |
O=C1N(C(C(=O)O)C(O)CCN)CC1; NCC[CH](O)[C H](N1CCC1=O)C(O)=O; NCC[C@@H](O)[C@H](N1 CCC1=O)C(O)=O; C1CN(C1=O)C(C(CCN)O)C(=O) O; C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O |
5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID; PROCLAVAMINIC ACID |
| 37007 | PCW DB03690 ZINC000085546471 |
0 | C44 H85 N O8 P | InChI=1S/C44H84NO8P/c1-6- 8-10-12-14-16-18-20-22-24 -26-28-30-32-34-36-43(46) 50-40-42(41-52-54(48,49)5 1-39-38-45(3,4)5)53-44(47 )37-35-33-31-29-27-25-23- 21-19-17-15-13-11-9-7-2/h 20-23,42H,6-19,24-41H2,1- 5H3/p+1/b22-20-,23-21-/t4 2-/m1/s1; SNKAWJBJQDLSFF-NVKMUCNASA-O |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O) (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCC CCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCC C)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC\C=C/C CCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H ](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC CCCC\C=C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(= O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(= O)CCCCCCCC=CCCCCCCCC |
1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE; (Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE |
| 37008 | PCX DB02475 ZINC000001530512 |
4 | C9 H16 N4 O3 | InChI=1S/C9H16N4O3/c10-9( 11)12-4-1-2-6(8(15)16)13- 5-3-7(13)14/h6H,1-5H2,(H, 15,16)(H4,10,11,12)/t6-/m 0/s1; UYADDEKIZFRINK-LURJTMIESA-N |
[H]N=C(N)NCCCC(C(=O)O)N1CCC1=O; O=C(O)C( N1C(=O)CC1)CCCNC(=[N@H])N; NC(=N)NCCC[CH ](N1CCC1=O)C(O)=O; [H]/N=C(/N)\NCCC[C@@H ](C(=O)O)N1CCC1=O; NC(=N)NCCC[C@H](N1CCC 1=O)C(O)=O |
DEOXYGUANIDINOPROCLAVAMINIC ACID |
| 37009 | PCY CHEMBL458512 ZINC000044358916 |
0 | C28 H38 N4 O8 | InChI=1S/C28H38N4O8/c1-15 -9-7-12-20(35)21(15)24(36 )40-14-27(39)23(30-19-11- 8-10-18(13-19)16(2)33)22( 29)28(17(3)34,26(27,4)38) 31-25(37)32(5)6/h7-13,17, 22-23,30,34-35,38-39H,14, 29H2,1-6H3,(H,31,37)/t17- ,22-,23-,26-,27+,28-/m0/s 1; WVIUOSJLUCTGFK-JUJPXXQGSA-N |
C[CH](O)[C]1(NC(=O)N(C)C)[CH](N)[CH](Nc2 cccc(c2)C(C)=O)[C](O)(COC(=O)c3c(C)cccc3 O)[C]1(C)O; Cc1cccc(c1C(=O)OC[C@]2([C@H] ([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O )N(C)C)N)Nc3cccc(c3)C(=O)C)O)O; C[C@H](O )[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2ccc c(c2)C(C)=O)[C@](O)(COC(=O)c3c(C)cccc3O) [C@]1(C)O; Cc1cccc(c1C(=O)OCC2(C(C(C(C2( C)O)(C(C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O )C)O)O; O=C(c1cc(ccc1)NC2C(O)(C(O)(C(NC( =O)N(C)C)(C2N)C(O)C)C)COC(=O)c3c(cccc3O) C)C |
Pactamycin |
| 37010 | PCZ DB08375 |
0 | C14 H15 N5 O5 S2 | InChI=1S/C14H15N5O5S2/c1- 6-4-25-12(18-9(6)13(22)23 )7(3-20)16-11(21)10(19-24 -2)8-5-26-14(15)17-8/h3,5 ,7,12H,1,4H2,2H3,(H2,15,1 7)(H,16,21)(H,22,23)/b19- 10-/t7-,12-/m1/s1; NRYMPLKBKFIWQC-YVCCLBOHSA-N |
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@ H]2N=C(C(=C)CS2)C(=O)O; CO\N=C(/C(=O)N[C @H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc( N)n2; O=CC(C1N=C(C(=C)\CS1)C(=O)O)NC(=O) \C(=N/OC)c2csc(n2)N; CON=C(c1csc(n1)N)C( =O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O; CON=C(C (=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c 2csc(N)n2 |
(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid; CEFOTAXIME PRODUCT, OPEN FORM; PCNOTAXIME GROUP |
| 37011 | PD | 6 | Pd | InChI=1S/Pd/q+2; MUJIDPITZJWBSW-UHFFFAOYSA-N |
[Pd++]; [Pd+2] | PALLADIUM ION |
| 37012 | PD1 CHEMBL189584 ZINC000003870533 |
2 | C28 H41 N7 O3 | InChI=1S/C28H41N7O3/c1-8- 35(9-2)13-11-10-12-29-26- 30-18-20-16-23(19-14-21(3 7-6)17-22(15-19)38-7)25(3 1-24(20)32-26)33-27(36)34 -28(3,4)5/h14-18H,8-13H2, 1-7H3,(H3,29,30,31,32,33, 34,36); DXCUKNQANPLTEJ-UHFFFAOYSA-N |
CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C) (C)C)c3cc(cc(c3)OC)OC; O=C(NC(C)(C)C)Nc1 nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC) CC; CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C )C)nc2n1)c3cc(OC)cc(OC)c3 |
1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA; PD 173074 |
| 37013 | PD2 CHEMBL316034 ZINC000000391915 |
26 | C7 H5 N O4 | InChI=1S/C7H5NO4/c9-6(10) 4-1-2-8-5(3-4)7(11)12/h1- 3H,(H,9,10)(H,11,12); MJIVRKPEXXHNJT-UHFFFAOYSA-N |
OC(=O)c1ccnc(c1)C(O)=O; O=C(O)c1nccc(C(= O)O)c1; c1cnc(cc1C(=O)O)C(=O)O |
PYRIDINE-2,4-DICARBOXYLIC ACID |
| 37014 | PD3 ZINC000039715027 |
1 | C25 H24 F3 N7 O | InChI=1S/C25H24F3N7O/c26- 25(27,28)16-6-4-8-18(13-1 6)33-24(36)32-17-7-3-5-15 (11-17)12-20-21-22(29)30- 14-31-23(21)35(34-20)19-9 -1-2-10-19/h3-8,11,13-14, 19H,1-2,9-10,12H2,(H2,29, 30,31)(H2,32,33,36); RKZUINFXRREENO-UHFFFAOYSA-N |
FC(F)(F)c1cc(ccc1)NC(=O)Nc2cccc(c2)Cc4nn (c3ncnc(c34)N)C5CCCC5; c1cc(cc(c1)NC(=O) Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5C CCC5)N; Nc1ncnc2n(nc(Cc3cccc(NC(=O)Nc4cc cc(c4)C(F)(F)F)c3)c12)C5CCCC5 |
1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea |
| 37015 | PD4 CHEMBL564374 ZINC000043012764 |
1 | C24 H32 N6 O4 | InChI=1S/C24H32N6O4/c1-3- 13-33-16-12-30-23-20(6-5- 19(28-23)18-4-7-21(32-2)2 6-17-18)27-22(24(30)31)25 -8-9-29-10-14-34-15-11-29 /h4-7,17H,3,8-16H2,1-2H3, (H,25,27); KSAKYDGQTISGJC-UHFFFAOYSA-N |
CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O )NCCN4CCOCC4; O=C3N(c4nc(c1ccc(OC)nc1)cc c4N=C3NCCN2CCOCC2)CCOCCC; CCCOCCN1C(=O)C (=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4 |
6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one |
| 37016 | PD5 ZINC000039193038 |
3 | C22 H20 F3 N7 O | InChI=1S/C22H20F3N7O/c1-1 2(2)32-20-17(19(26)27-11- 28-20)18(31-32)13-6-8-15( 9-7-13)29-21(33)30-16-5-3 -4-14(10-16)22(23,24)25/h 3-12H,1-2H3,(H2,26,27,28) (H2,29,30,33); LEERPLGXOHLQPF-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc( c4)C(F)(F)F)c(ncn2)N; CC(C)n1nc(c2ccc(NC (=O)Nc3cccc(c3)C(F)(F)F)cc2)c4c(N)ncnc14 ; FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2 ncnc(c23)N)C(C)C)cc4 |
1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea; 1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea |
| 37017 | PD6 | 1 | C18 H19 N3 O | InChI=1S/C18H19N3O/c1-2-3 -10-21-11-9-16(22)17-15(2 1)12-14(20-18(17)19)13-7- 5-4-6-8-13/h4-9,11-12H,2- 3,10H2,1H3,(H2,19,20); RLCFNIHFDBMYES-UHFFFAOYSA-N |
CCCCN1C=CC(=O)c2c(N)nc(cc12)c3ccccc3; CC CCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3 |
5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one |
| 37018 | PD7 CHEMBL482505 DB08376 ZINC000013544791 |
0 | C17 H33 O8 P | InChI=1S/C17H33O8P/c1-3-5 -7-9-11-16(18)23-13-15(14 -24-26(20,21)22)25-17(19) 12-10-8-6-4-2/h15H,3-14H2 ,1-2H3,(H2,20,21,22)/t15- /m1/s1; JAXUAGQDLYDLQB-OAHLLOKOSA-N |
O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O; CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC CCCC; CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC (=O)CCCCCC; CCCCCCC(=O)OC[C@H](CO[P](O)( O)=O)OC(=O)CCCCCC; CCCCCCC(=O)OCC(COP(=O )(O)O)OC(=O)CCCCCC |
(2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate |
| 37019 | PD8 DB03830 ZINC000012503950 |
1 | C14 H13 N6 O6 P | InChI=1S/C14H13N6O6P/c15- 14-19-11-10(12(21)20-14)1 8-9(6-17-11)5-16-8-3-1-7( 2-4-8)13(22)26-27(23,24)2 5/h1-4,6,16H,5H2,(H2,23,2 4,25)(H3,15,17,19,20,21); DNKVHXNVVYQUDC-UHFFFAOYSA-N |
O=P(O)(O)OC(=O)c1ccc(cc1)NCc2nc3C(=O)NC( =Nc3nc2)N; NC1=Nc2ncc(CNc3ccc(cc3)C(=O)O [P](O)(O)=O)nc2C(=O)N1; c1cc(ccc1C(=O)OP (=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N |
PHOSPHORYLATED DIHYDROPTEROATE |
| 37020 | PD9 CHEMBL953 DB00494 ZINC000035342787 |
1 | C14 H15 N3 O5 | InChI=1S/C14H15N3O5/c1-3- 16(4-2)14(20)10(8-15)5-9- 6-11(17(21)22)13(19)12(18 )7-9/h5-7,18-19H,3-4H2,1- 2H3/b10-5+; JRURYQJSLYLRLN-BJMVGYQFSA-N |
CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](= O)[O-])/C#N; CCN(CC)C(=O)C(=Cc1cc(c(c(c1 )O)O)[N+](=O)[O-])C#N; CCN(CC)C(=O)C(=Cc 1cc(O)c(O)c(c1)[N+]([O-])=O)C#N; CCN(CC) C(=O)C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)/ C#N |
(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide |
| 37021 | PDA DB04467 ZINC000002046812 |
33 | C11 H17 N2 O7 P | InChI=1S/C11H17N2O7P/c1-6 -10(14)9(4-13-7(2)11(15)1 6)8(3-12-6)5-20-21(17,18) 19/h3,7,13-14H,4-5H2,1-2H 3,(H,15,16)(H2,17,18,19)/ t7-/m0/s1; WACJCHFWJNNBPR-ZETCQYMHSA-N |
C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O) =O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O) C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O )O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O )C(O)=O |
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID; PYRIDOXYL-ALANINE-5-PHOSPHATE |
| 37022 | PDB CHEMBL1513993 ZINC000013829341 |
4 | C15 H12 Cl F3 N4 O | InChI=1S/C15H12ClF3N4O/c1 -8(15(17,18)19)6-12-21-13 -9(14(24)22-12)7-20-23(13 )11-5-3-2-4-10(11)16/h2-5 ,7-8H,6H2,1H3,(H,21,22,24 )/t8-/m1/s1; FFPXPXOAFQCNBS-MRVPVSSYSA-N |
FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccc cc3Cl; CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3C l)C(F)(F)F; C[CH](CC1=NC(=O)c2cnn(c2N1)c 3ccccc3Cl)C(F)(F)F; C[C@H](CC1=NC(=O)c2c nn(c2N1)c3ccccc3Cl)C(F)(F)F |
1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| 37023 | PDC CHEMBL284104 DB04267 ZINC000000105246 |
58 | C7 H5 N O4 | InChI=1S/C7H5NO4/c9-6(10) 4-2-1-3-5(8-4)7(11)12/h1- 3H,(H,9,10)(H,11,12); WJJMNDUMQPNECX-UHFFFAOYSA-N |
O=C(O)c1nc(C(=O)O)ccc1; OC(=O)c1cccc(n1) C(O)=O; c1cc(nc(c1)C(=O)O)C(=O)O |
PYRIDINE-2,6-DICARBOXYLIC ACID; DIPICOLINIC ACID |
| 37024 | PDD DB01993 ZINC000002047235 |
13 | C11 H17 N2 O7 P | InChI=1S/C11H17N2O7P/c1-6 -10(14)9(4-13-7(2)11(15)1 6)8(3-12-6)5-20-21(17,18) 19/h3,7,13-14H,4-5H2,1-2H 3,(H,15,16)(H2,17,18,19)/ t7-/m1/s1; WACJCHFWJNNBPR-SSDOTTSWSA-N |
C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O) =O; C[C@@H](NCc1c(O)c(C)ncc1CO[P](O)(O)= O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C) C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@ H](C)C(=O)O)O |
N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE |
| 37025 | PDE DB08411 ZINC000006486903 |
2 | C13 H17 N2 O8 P | InChI=1S/C13H17N2O8P/c1-9 (13(17)18)14-12(16)3-2-8- 24(21,22)23-11-6-4-10(5-7 -11)15(19)20/h4-7,9H,2-3, 8H2,1H3,(H,14,16)(H,17,18 )(H,21,22)/t9-/m0/s1; KBXXIYHMPQZHCH-VIFPVBQESA-N |
O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N C(C(=O)O)C; C[C@@H](C(=O)O)NC(=O)CCC[P@@ ](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[CH](N C(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])= O)C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1 ccc(cc1)[N+](=O)[O-]; C[C@H](NC(=O)CCC[P @](O)(=O)Oc1ccc(cc1)[N+]([O-])=O)C(O)=O |
PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE |
| 37026 | PDF ZINC000033604896 |
0 | C5 H7 F2 N O2 | InChI=1S/C5H7F2NO2/c6-5(7 )1-3(4(9)10)8-2-5/h3,8H,1 -2H2,(H,9,10)/t3-/m0/s1; ZPBIYZHGBPBZCK-VKHMYHEASA-N |
C1[C@H](NCC1(F)F)C(=O)O; C1C(NCC1(F)F)C( =O)O; OC(=O)[C@@H]1CC(F)(F)CN1; OC(=O)[C H]1CC(F)(F)CN1; O=C(O)C1NCC(F)(F)C1 |
4,4-difluoro-L-proline |
| 37027 | PDG DB04762 ZINC000012501129 |
23 | C13 H19 N2 O9 P | InChI=1S/C13H19N2O9P/c1-7 -12(18)9(8(4-14-7)6-24-25 (21,22)23)5-15-10(13(19)2 0)2-3-11(16)17/h4,10,15,1 8H,2-3,5-6H2,1H3,(H,16,17 )(H,19,20)(H2,21,22,23)/t 10-/m1/s1; JMRKOGDJNHPMHS-SNVBAGLBSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C( =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](C CC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O) (O)O)CN[C@H](CCC(=O)O)C(=O)O)O; Cc1ncc(C O[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1 O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C CC(=O)O |
N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID; N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE |
| 37028 | PDH CHEMBL1235200 ZINC000006731959 |
0 | C9 H13 N O | InChI=1S/C9H13NO/c10-9(7- 11)6-8-4-2-1-3-5-8/h1-5,9 ,11H,6-7,10H2/t9-/m1/s1; STVVMTBJNDTZBF-SECBINFHSA-N |
c1ccc(cc1)C[C@H](CO)N; N[C@@H](CO)Cc1ccc cc1; N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO )N; OCC(N)Cc1ccccc1 |
(2S)-2-AMINO-3-PHENYL-1-PROPANOL; D-PHENYLALANINOL |
| 37029 | PDI ZINC000005113578 |
0 | C3 H9 O5 P | InChI=1S/C3H9O5P/c4-2-1-3 -8-9(5,6)7/h4H,1-3H2,(H2, 5,6,7); HYCSHFLKPSMPGO-UHFFFAOYSA-N |
C(CO)COP(=O)(O)O; O=P(O)(O)OCCCO; OCCCO[ P](O)(O)=O |
PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER |
| 37030 | PDJ ZINC000058638622 |
1 | C38 H75 N O5 S | InChI=1S/C38H75NO5S/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-37(41)43-32-36 (34-45-33-35(39)31-40)44- 38(42)30-28-26-24-22-20-1 8-16-14-12-10-8-6-4-2/h35 -36,40H,3-34,39H2,1-2H3/t 35-,36-/m1/s1; BRVXVNDGAKVNMP-LQFQNGICSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C O)OC(=O)CCCCCCCCCCCCCCC; O=C(OC(CSCC(N)C O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC ; CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H]( CO)N)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCC CCCC(=O)OCC(CSCC(CO)N)OC(=O)CCCCCCCCCCCC CCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH]( N)CO)OC(=O)CCCCCCCCCCCCCCC |
(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE |
| 37031 | PDK | 1 | C47 H87 N4 O17 P | InChI=1S/C47H87N4O17P/c1- 3-5-7-9-11-13-15-17-19-21 -23-25-46(61)65-38-40(68- 47(62)26-24-22-20-18-16-1 4-12-10-8-6-4-2)39-67-69( 63,64)66-32-27-48-41(52)3 3-50(35-43(55)56)30-28-49 (34-42(53)54)29-31-51(36- 44(57)58)37-45(59)60/h40H ,3-39H2,1-2H3,(H,48,52)(H ,53,54)(H,55,56)(H,57,58) (H,59,60)(H,63,64)/t40-/m 1/s1; DAAFWSGIXJNAQE-RRHRGVEJSA-N |
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O )CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(= O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC( =O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@]( CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(= O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC( =O)OC[CH](CO[P](O)(=O)OCCNC(=O)CN(CCN(CC N(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)OC(=O) CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H] (CO[P](O)(=O)OCCNC(=O)CN(CCN(CCN(CC(O)=O )CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)CCCCCCCCC CCCC; O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCC CCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CC N(CC(=O)O)CCN(CC(=O)O)CC(=O)O |
(10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide; PE-DTPA |
| 37032 | PDL DB04467 |
0 | C11 H17 N2 O7 P | InChI=1/C11H17N2O7P/c1-6- 10(14)9(4-13-7(2)11(15)16 )8(3-12-6)5-20-21(17,18)1 9/h3,7,13-14H,4-5H2,1-2H3 ,(H,15,16)(H2,17,18,19)/t 7-/m0/s1/f/h15,17-18H; WACJCHFWJNNBPR-QVTHEYPJDI |
Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O )O)O; C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)= O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C) C(=O)O)O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O )(O)=O)C(O)=O |
N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE |
| 37033 | PDM DB08378 ZINC000033396944 |
2 | C14 H16 N2 O5 | InChI=1S/C14H16N2O5/c17-1 1(5-8-14(20)21)15-9-1-3-1 0(4-2-9)16-12(18)6-7-13(1 6)19/h1-4,11,15,17H,5-8H2 ,(H,20,21)/t11-/m0/s1; SUETUOGYOWOLNJ-NSHDSACASA-N |
O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O; c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O; O [C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O ; O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O |
4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID; PARA-PHENYL DIMALEMIDE |
| 37034 | PDN ZINC000118913122 |
12 | C21 H26 O5 | InChI=1S/C21H26O5/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/ h5,7,9,11,14-15,18,22,25- 26H,3-4,6,8,10H2,1-2H3/b1 7-11-/t14-,15-,18+,19-,20 -,21-/m0/s1; WZTZVUUYKIOIRV-LMZHSBCYSA-N |
CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(= O)C=CC34C; C[C@]12CC(=O)[C@H]3[C@@H](CCC 4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)\C(O )=C\O; C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C C[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C; O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4 (O)C(\O)=C\O)C; C[C]12CC(=O)[CH]3[CH](CC C4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO |
17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE; PREDNISONE; 1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE; 1-CORTISONE; DEHYDROCORTISONE |
| 37035 | PDO CHEMBL379652 DB02774 ZINC000001529437 |
172 | C3 H8 O2 | InChI=1S/C3H8O2/c4-2-1-3- 5/h4-5H,1-3H2; YPFDHNVEDLHUCE-UHFFFAOYSA-N |
C(CO)CO; OCCCO | 1,3-PROPANDIOL |
| 37036 | PDP | 8 | C8 H11 N O9 P2 | InChI=1S/C8H11NO9P2/c1-5- 8(11)7(3-10)6(2-9-5)4-17- 20(15,16)18-19(12,13)14/h 2-3,11H,4H2,1H3,(H,15,16) (H2,12,13,14); BLPOUZDLIYAHLN-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O; O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C; Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1 O; Cc1ncc(CO[P@@](O)(=O)O[P](O)(O)=O)c(C =O)c1O; Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O) (O)O)C=O)O |
PYRIDOXAL-5'-DIPHOSPHATE |
| 37037 | PDQ CHEMBL383917 |
6 | C18 H24 F N5 O2 | InChI=1S/C18H24FN5O2/c1-9 -15-13(17(25)24(21)18(26) 23(15)12-3-4-12)7-14(19)1 6(9)22-6-5-11(8-22)10(2)2 0/h7,10-12H,3-6,8,20-21H2 ,1-2H3/t10-,11+/m0/s1; SMONLCFJGCJROJ-WDEREUQCSA-N |
Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(= O)N(C(=O)N2C4CC4)N; O=C2c1cc(F)c(c(c1N(C (=O)N2N)C3CC3)C)N4CCC(C(N)C)C4; C[CH](N) [CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(= O)c3cc2F; C[C@H](N)[C@@H]1CCN(C1)c2c(C)c 3N(C4CC4)C(=O)N(N)C(=O)c3cc2F; Cc1c2c(cc (c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4) N |
3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione |
| 37038 | PDR ZINC000035979149 |
4 | C17 H15 Cl N4 O2 | InChI=1S/C17H15ClN4O2/c1- 22-8-10(12-6-9-11(18)4-5- 19-16(9)20-12)15-13(22)7- 14(23-2)17(21-15)24-3/h4- 8H,1-3H3,(H,19,20); ISLVGFDZMORPFI-UHFFFAOYSA-N |
COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1 OC; Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc 4ncc3; Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(cc nc4[nH]3)Cl |
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine |
| 37039 | PDS ZINC000016052741 |
2 | C27 H28 N4 O2 | InChI=1S/C27H28N4O2/c1-16 -22(18-10-5-7-12-20(18)28 -16)24-25(27(33)29-26(24) 32)23-17(2)31(15-9-14-30( 3)4)21-13-8-6-11-19(21)23 /h5-8,10-13,28H,9,14-15H2 ,1-4H3,(H,29,32,33); OHIVGFJSFMOMNC-UHFFFAOYSA-N |
Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n (c5c4cccc5)CCCN(C)C)C; O=C5C(c2c1ccccc1n c2C)=C(c4c3ccccc3n(c4C)CCCN(C)C)C(=O)N5; CN(C)CCCn1c(C)c(c2ccccc12)C3=C(C(=O)NC3 =O)c4c(C)[nH]c5ccccc45 |
3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE |
| 37040 | PDT ZINC000003860693 |
4 | C3 H8 S2 | InChI=1S/C3H8S2/c4-2-1-3- 5/h4-5H,1-3H2; ZJLMKPKYJBQJNH-UHFFFAOYSA-N |
C(CS)CS; SCCCS | 1,3-PROPANEDITHIOL |
| 37041 | PDU CHEMBL3142713 ZINC000013604356 |
0 | C12 H15 N2 O8 P | InChI=1S/C12H15N2O8P/c1-2 -3-7-5-14(12(17)13-11(7)1 6)10-4-8(15)9(22-10)6-21- 23(18,19)20/h5,8-10,15H,4 ,6H2,1H3,(H,13,16,17)(H2, 18,19,20)/t8-,9+,10+/m0/s 1; NUOBVCABUBRVOG-IVZWLZJFSA-N |
CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H] (O2)COP(=O)(O)O)O; CC#CC1=CN(C(=O)NC1=O) C2CC(C(O2)COP(=O)(O)O)O; CC#CC1=CN([C@H] 2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N C1=O; CC#CC1=CN([CH]2C[CH](O)[CH](CO[P]( O)(O)=O)O2)C(=O)NC1=O |
5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE |
| 37042 | PDV | 1 | H O7 V2 | InChI=1S/H2O.6O.2V/h1H2;; ;;;;;;/q;;;4*-1;;+1/p-1; YWFXIPDXSJHXJM-UHFFFAOYSA-M |
O[V]1([O-])([O-])O[V]([O-])([O-])O1; O[V ]1(O[V](O1)([O-])[O-])([O-])[O-] |
Divanadate ion |
| 37043 | PDW ZINC000053151193 |
0 | C6 H11 N O2 | InChI=1S/C6H11NO2/c1-9-6( 8)5-3-2-4-7-5/h5,7H,2-4H2 ,1H3/t5-/m1/s1; BLWYXBNNBYXPPL-RXMQYKEDSA-N |
COC(=O)[C@H]1CCCN1; COC(=O)[CH]1CCCN1; C OC(=O)C1CCCN1; O=C(OC)C1NCCC1 |
methyl D-prolinate |
| 37044 | PDX DB02879 ZINC000031976877 |
11 | 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+/ m1/s1; ORUZACWROKWTRH-DVKNGEFBSA-N |
OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O [S](O)(=O)=O)[CH]1O; OC[C@H]1O[C@H](O)[C @H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[ C@@H]1O; C(C1C(C(C(C(O1)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; O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O )CO |
2,3-di-O-sulfo-alpha-D-glucopyranose; 2,3-di-O-sulfo-alpha-D-glucose; 2,3-di-O-sulfo-D-glucose; 2,3-di-O-sulfo-glucose |
| 37045 | PDY CHEMBL1235213 ZINC000058633578 |
25 | C20 H26 N6 O | InChI=1S/C20H26N6O/c1-3-2 7-17-8-6-15(7-9-17)24-20- 14(2)19(23-16-5-4-11-21-1 3-16)25-18-10-12-22-26(18 )20/h6-10,12,16,21,24H,3- 5,11,13H2,1-2H3,(H,23,25) /t16-/m0/s1; WJOUGMPFYANZMI-INIZCTEOSA-N |
CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCC NC4)C; CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)NC4 CCCNC4)C; CCOc1ccc(Nc2n3nccc3nc(N[C@H]4C CCNC4)c2C)cc1; n3c(NC1CCCNC1)c(c(Nc2ccc( OCC)cc2)n4nccc34)C; CCOc1ccc(Nc2n3nccc3n c(N[CH]4CCCNC4)c2C)cc1 |
N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine; {5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine |
| 37046 | PDZ CHEMBL479032 DB08379 ZINC000040404526 |
1 | C17 H12 Cl F N2 O2 | InChI=1S/C17H12ClFN2O2/c1 8-14-8-6-11(10-12-7-9-15( 22)21-20-12)16(19)17(14)2 3-13-4-2-1-3-5-13/h1-9H,1 0H2,(H,21,22); NOVPOXGMADEKPP-UHFFFAOYSA-N |
O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F; Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3 ; c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3 )Cl |
6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one |
| 37047 | PE0 CHEMBL278009 ZINC000017819771 |
22 | C6 H5 N5 O | InChI=1S/C6H5N5O/c7-6-10- 4-3(5(12)11-6)8-1-2-9-4/h 1-2H,(H3,7,9,10,11,12); HNXQXTQTPAJEJL-UHFFFAOYSA-N |
c1cnc2c(n1)C(=O)NC(=N2)N; NC1=Nc2nccnc2C (=O)N1; O=C1c2nccnc2N=C(N1)N |
PTERINE |
| 37048 | PE1 ZINC000013527831 |
8 | C14 H24 N3 O7 P | InChI=1S/C14H24N3O7P/c1-9 -13(18)11(10(6-16-9)8-24- 25(21,22)23)7-17-12(14(19 )20)4-2-3-5-15/h6,12,17-1 8H,2-5,7-8,15H2,1H3,(H,19 ,20)(H2,21,22,23)/t12-/m0 /s1; GQMAOPRRHWJXFB-LBPRGKRZSA-N |
O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC N; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC CN)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C @@H](CCCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP( =O)(O)O)CNC(CCCCN)C(=O)O)O; Cc1ncc(CO[P] (O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O |
N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE; PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE |
| 37049 | PE2 CHEMBL1540 DB00299 ZINC000000001899 |
2 | C10 H15 N5 O3 | InChI=1S/C10H15N5O3/c11-1 0-13-8-7(9(18)14-10)12-5- 15(8)2-1-6(3-16)4-17/h5-6 ,16-17H,1-4H2,(H3,11,13,1 4,18); JNTOCHDNEULJHD-UHFFFAOYSA-N |
O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO; c1nc2c(n 1CCC(CO)CO)N=C(NC2=O)N; NC1=Nc2n(CCC(CO) CO)cnc2C(=O)N1 |
9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE |
| 37050 | PE3 ZINC000058633580 |
4 | C28 H58 O15 | InChI=1S/C28H58O15/c29-1- 3-31-5-7-33-9-11-35-13-15 -37-17-19-39-21-23-41-25- 27-43-28-26-42-24-22-40-2 0-18-38-16-14-36-12-10-34 -8-6-32-4-2-30/h29-30H,1- 28H2; ILLKMACMBHTSHP-UHFFFAOYSA-N |
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CCO; C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC COCCOCCO)O; O(CCOCCOCCOCCOCCOCCOCCO)CCOC COCCOCCOCCOCCOCCO |
3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL; POLYETHYLENE GLYCOL |
| 37051 | PE4 | 0 | C16 H34 O8 | InChI=1S/C16H34O8/c1-2-18 -5-6-20-9-10-22-13-14-24- 16-15-23-12-11-21-8-7-19- 4-3-17/h17H,2-16H2,1H3; PJWQOENWHPEPKI-UHFFFAOYSA-N |
O(CCOCCO)CCOCCOCCOCCOCCOCC; CCOCCOCCOCCO CCOCCOCCOCCO |
2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL; POLYETHYLENE GLYCOL PEG4000 |
| 37052 | PE5 DB03556 ZINC000012503749 |
0 | C18 H38 O9 | InChI=1S/C18H38O9/c1-2-20 -5-6-22-9-10-24-13-14-26- 17-18-27-16-15-25-12-11-2 3-8-7-21-4-3-19/h19H,2-18 H2,1H3; CUDPPTPIUWYGFI-UHFFFAOYSA-N |
O(CCOCCOCC)CCOCCOCCOCCOCCOCCO; CCOCCOCCO CCOCCOCCOCCOCCOCCO |
3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL; 2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL; POLYETHYLENE GLYCOL PEG400 |
| 37053 | PE6 ZINC000005828801 |
1 | C12 H27 O10 P | InChI=1S/C12H27O10P/c13-1 -2-17-3-4-18-5-6-19-7-8-2 0-9-10-21-11-12-22-23(14, 15)16/h13H,1-12H2,(H2,14, 15,16); PTMCGHPIYOSATH-UHFFFAOYSA-N |
OCCOCCOCCOCCOCCOCCO[P](O)(O)=O; O=P(O)(O )OCCOCCOCCOCCOCCOCCO; C(COCCOCCOCCOCCOCC OP(=O)(O)O)O |
PHOSPHORYL-HEXAETHYLENE GLYCOL |
| 37054 | PE7 DB02404 ZINC000005828797 |
8 | C14 H30 O7 S | InChI=1S/C14H30O7S/c15-1- 2-16-3-4-17-5-6-18-7-8-19 -9-10-20-11-12-21-13-14-2 2/h15,22H,1-14H2; ACMBXVJDKVNCGH-UHFFFAOYSA-N |
O(CCOCCOCCOCCOCCO)CCOCCS; C(COCCOCCOCCOC COCCOCCS)O; OCCOCCOCCOCCOCCOCCOCCS |
1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL |
| 37055 | PE8 ZINC000005178830 |
0 | C16 H34 O9 | InChI=1S/C16H34O9/c17-1-3 -19-5-7-21-9-11-23-13-15- 25-16-14-24-12-10-22-8-6- 20-4-2-18/h17-18H,1-16H2; GLZWNFNQMJAZGY-UHFFFAOYSA-N |
O(CCOCCO)CCOCCOCCOCCOCCOCCO; OCCOCCOCCOC COCCOCCOCCOCCO; C(COCCOCCOCCOCCOCCOCCOCC O)O |
3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL |
| 37056 | PE9 CHEMBL14568 ZINC000001687154 |
2 | C5 H12 O | InChI=1S/C5H12O/c1-2-3-4- 5-6/h6H,2-5H2,1H3; AMQJEAYHLZJPGS-UHFFFAOYSA-N |
OCCCCC; CCCCCO | PENTAN-1-OL |
| 37057 | PEA | 28 | C8 H12 N | InChI=1S/C8H11N/c9-7-6-8- 4-2-1-3-5-8/h1-5H,6-7,9H2 /p+1; BHHGXPLMPWCGHP-UHFFFAOYSA-O |
[NH3+]CCc1ccccc1; c1ccccc1CC[NH3+]; c1cc c(cc1)CC[NH3+] |
2-PHENYLETHYLAMINE |
| 37058 | PEB ZINC000058633585 |
16895 | C33 H40 N4 O6 | InChI=1S/C33H40N4O6/c1-7- 20-19(6)32(42)37-27(20)14 -25-18(5)23(10-12-31(40)4 1)29(35-25)15-28-22(9-11- 30(38)39)17(4)24(34-28)13 -26-16(3)21(8-2)33(43)36- 26/h8,14-15,19-20,26,34H, 2,7,9-13H2,1,3-6H3,(H,36, 43)(H,37,42)(H,38,39)(H,4 0,41)/b27-14-,29-15-/t19- ,20-,26-/m1/s1; NKCBCVIFPXGHAV-WAVSMFBNSA-N |
CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC 4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CC C(=O)O)C; CC[C@@H]\1[C@H](C(=O)N/C1=C\C2 =N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O) N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C; CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/ c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CC C(O)=O)C(=C2C)CCC(O)=O; CC[CH]1[CH](C)C( =O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C 4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O |
PHYCOERYTHROBILIN |
| 37059 | PEC ZINC000006592190 |
0 | C8 H17 N O2 S2 | InChI=1S/C8H17NO2S2/c1-2- 3-4-5-12-13-6-7(9)8(10)11 /h7H,2-6,9H2,1H3,(H,10,11 )/t7-/m0/s1; QFYJSCJLKKAFDH-ZETCQYMHSA-N |
CCCCCSSC[C@@H](C(=O)O)N; CCCCCSSC[CH](N) C(O)=O; CCCCCSSCC(C(=O)O)N; O=C(O)C(N)CS SCCCCC; CCCCCSSC[C@H](N)C(O)=O |
S,S-PENTYLTHIOCYSTEINE |
| 37060 | PED ZINC000015614168 |
2 | C5 H13 O6 P | InChI=1S/C5H13O6P/c1-2-4( 6)5(7)3-11-12(8,9)10/h4-7 H,2-3H2,1H3,(H2,8,9,10)/t 4-,5+/m0/s1; FQKLTSRHTQGSQZ-CRCLSJGQSA-N |
CC[C@H](O)[C@H](O)CO[P](O)(O)=O; CCC(C(C OP(=O)(O)O)O)O; O=P(O)(O)OCC(O)C(O)CC; C C[C@@H]([C@@H](COP(=O)(O)O)O)O; CC[CH](O )[CH](O)CO[P](O)(O)=O |
PENTANE-3,4-DIOL-5-PHOSPHATE; OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE |
| 37061 | PEE ZINC000085581568 |
0 | C41 H78 N O8 P | InChI=1S/C41H78NO8P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-31-33-40(43)47 -37-39(38-49-51(45,46)48- 36-35-42)50-41(44)34-32-3 0-28-26-24-22-20-18-16-14 -12-10-8-6-4-2/h17-20,39H ,3-16,21-38,42H2,1-2H3,(H ,45,46)/b19-17-,20-18-/t3 9-/m1/s1; MWRBNPKJOOWZPW-NYVOMTAGSA-N |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC N)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCC=CC CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O )CCCCCCCC=CCCCCCCCC; CCCCCCCC/C=C\CCCCCC CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC CC/C=C\CCCCCCCC; CCCCCCCC\C=C/CCCCCCCC(= O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC \C=C/CCCCCCCC; NCCOP(O)(=O)OCC(COC(=O)CC CCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCC CCCCC |
1,2-dioleoyl-sn-glycero-3-phosphoethanolamine; DOPE |
| 37062 | PEF DB01728 ZINC000032793824 |
0 | C37 H74 N O8 P | InChI=1S/C37H74NO8P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-36(39)43-33-35 (34-45-47(41,42)44-32-31- 38)46-37(40)30-28-26-24-2 2-20-18-16-14-12-10-8-6-4 -2/h35H,3-34,38H2,1-2H3,( H,41,42)/t35-/m1/s1; SLKDGVPOSSLUAI-PGUFJCEWSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(= O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCC CCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](C O[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O CCN)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC( =O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC CCCCCCCC |
DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE; 3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL |
| 37063 | PEG CHEMBL1235226 ZINC000001668756 |
0 | C4 H10 O3 | InChI=1S/C4H10O3/c5-1-3-7 -4-2-6/h5-6H,1-4H2; MTHSVFCYNBDYFN-UHFFFAOYSA-N |
C(COCCO)O; OCCOCCO | DI(HYDROXYETHYL)ETHER |
| 37064 | PEH | 0 | C41 H82 N O8 P | InChI=1S/C41H82NO8P/c1-3- 5-7-9-11-13-15-17-19-21-2 3-25-27-29-31-33-40(43)47 -37-39(38-49-51(45,46)48- 36-35-42)50-41(44)34-32-3 0-28-26-24-22-20-18-16-14 -12-10-8-6-4-2/h39H,3-38, 42H2,1-2H3,(H,45,46)/t39- /m1/s1; LVNGJLRDBYCPGB-LDLOPFEMSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCC CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN) OC(=O)CCCCCCCCCCCCCCCCC; O=C(OCC(OC(=O)C CCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCC CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP (=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCC CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O) OCCN)OC(=O)CCCCCCCCCCCCCCCCC |
DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE |
| 37065 | PEI CHEMBL268736 DB02406 |
0 | C5 H10 O2 | InChI=1/C5H10O2/c1-2-3-4- 5(6)7/h2-4H2,1H3,(H,6,7)/ f/h6H; NQPDZGIKBAWPEJ-BRMMOCHJCG |
O=C(O)CCCC; CCCCC(=O)O; CCCCC(O)=O | PENTANOIC ACID; N-VALERIC ACID |
| 37066 | PEJ | 1 | I O4 | InChI=1S/HIO4/c2-1(3,4)5/ h(H,2,3,4,5)/p-1; KHIWWQKSHDUIBK-UHFFFAOYSA-M |
[O-]I(=O)(=O)=O; [O-][I](=O)(=O)=O | PERIODATE |
| 37067 | PEK ZINC000085581337 |
25 | C43 H78 N O8 P | InChI=1S/C43H78NO8P/c1-3- 5-7-9-11-13-15-17-19-20-2 2-24-26-28-30-32-34-36-43 (46)52-41(40-51-53(47,48) 50-38-37-44)39-49-42(45)3 5-33-31-29-27-25-23-21-18 -16-14-12-10-8-6-4-2/h11, 13,17,19,22,24,28,30,41H, 3-10,12,14-16,18,20-21,23 ,25-27,29,31-40,44H2,1-2H 3,(H,47,48)/b13-11-,19-17 -,24-22-,30-28-/t41-/m1/s 1; ANRKEHNWXKCXDB-BHFWLYLHSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O) (O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/ CCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P ](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC CC; O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\ C=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC CC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@ ](O)(=O)OCCN)OC(=O)CCC\C=C/C/C=C\C\C=C/C /C=C\CCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(CO P(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC CC |
(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE; PHOSPHATIDYLETHANOLAMINE; 2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE |
| 37068 | PEL CHEMBL448500 DB02192 ZINC000000895934 |
15 | C8 H10 O | InChI=1S/C8H10O/c9-7-6-8- 4-2-1-3-5-8/h1-5,9H,6-7H2; WRMNZCZEMHIOCP-UHFFFAOYSA-N |
c1ccc(cc1)CCO; OCCc1ccccc1 | 2-PHENYL-ETHANOL |
| 37069 | PEM CHEMBL264374 DB01393 ZINC000003956919 |
6 | C19 H20 Cl N O4 | InChI=1S/C19H20ClNO4/c1-1 9(2,18(23)24)25-16-9-3-13 (4-10-16)11-12-21-17(22)1 4-5-7-15(20)8-6-14/h3-10H ,11-12H2,1-2H3,(H,21,22)( H,23,24); IIBYAHWJQTYFKB-UHFFFAOYSA-N |
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C( O)=O; CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2 ccc(cc2)Cl; O=C(c1ccc(Cl)cc1)NCCc2ccc(OC (C(=O)O)(C)C)cc2 |
2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID |
| 37070 | PEO CHEMBL71595 DB11091 |
60 | H2 O2 | InChI=1S/H2O2/c1-2/h1-2H; MHAJPDPJQMAIIY-UHFFFAOYSA-N |
OO | HYDROGEN PEROXIDE |
| 37071 | PEP CHEMBL1235228 DB01819 ZINC000003870145 |
313 | C3 H5 O6 P | InChI=1S/C3H5O6P/c1-2(3(4 )5)9-10(6,7)8/h1H2,(H,4,5 )(H2,6,7,8); DTBNBXWJWCWCIK-UHFFFAOYSA-N |
C=C(C(=O)O)OP(=O)(O)O; OC(=O)C(=C)O[P](O )(O)=O; O=C(O)C(\OP(=O)(O)O)=C |
PHOSPHOENOLPYRUVATE |
| 37072 | PEQ CHEMBL1235229 ZINC000006486927 |
14 | C3 H7 O6 P | InChI=1S/C3H7O6P/c1-2(3(4 )5)9-10(6,7)8/h2H,1H3,(H, 4,5)(H2,6,7,8)/t2-/m0/s1; CSZRNWHGZPKNKY-REOHCLBHSA-N |
C[C@H](O[P](O)(O)=O)C(O)=O; C[CH](O[P](O )(O)=O)C(O)=O; O=C(O)C(OP(=O)(O)O)C; CC( C(=O)O)OP(=O)(O)O; C[C@@H](C(=O)O)OP(=O) (O)O |
L-PHOSPHOLACTATE |
| 37073 | PER | 33 | O2 | InChI=1S/O2/c1-2/q-2; ANAIPYUSIMHBEL-UHFFFAOYSA-N |
[O-][O-] | PEROXIDE ION |
| 37074 | PET CHEMBL1088659 ZINC000003606350 |
0 | C18 H22 N4 O3 | InChI=1S/C18H22N4O3/c19-1 7(20)13-1-5-15(6-2-13)24- 11-9-23-10-12-25-16-7-3-1 4(4-8-16)18(21)22/h1-8H,9 -12H2,(H3,19,20)(H3,21,22 ); RUGJWTYDBUIXNX-UHFFFAOYSA-N |
O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N @H])N)cc2; NC(=N)c1ccc(OCCOCCOc2ccc(cc2) C(N)=N)cc1; [H]N=C(c1ccc(cc1)OCCOCCOc2cc c(cc2)C(=N)N)N; [H]/N=C(\c1ccc(cc1)OCCOC COc2ccc(cc2)C(=N)N)/N |
1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE |
| 37075 | PEU | 0 | C55 H112 O28 | InChI=1S/C55H112O28/c1-57 -4-5-59-8-9-61-12-13-63-1 6-17-65-20-21-67-24-25-69 -28-29-71-32-33-73-36-37- 75-40-41-77-44-45-79-48-4 9-81-52-53-83-55-54-82-51 -50-80-47-46-78-43-42-76- 39-38-74-35-34-72-31-30-7 0-27-26-68-23-22-66-19-18 -64-15-14-62-11-10-60-7-6 -58-3-2-56/h56H,2-55H2,1H 3; ISGUIIHZEJGUGQ-UHFFFAOYSA-N |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO CCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC OCCOCCOC |
2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL; PEG 8000 |
| 37076 | PEV | 2 | C39 H78 N O8 P | InChI=1S/C39H78NO8P/c1-3- 5-7-9-11-13-15-17-18-20-2 2-24-26-28-30-32-39(42)48 -37(36-47-49(43,44)46-34- 33-40)35-45-38(41)31-29-2 7-25-23-21-19-16-14-12-10 -8-6-4-2/h37H,3-36,40H2,1 -2H3,(H,43,44)/t37-/m0/s1; RPJZYOHZALDGKI-QNGWXLTQSA-N |
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC CCCCCCCCCCCC)CO[P@@](=O)(O)OCCN; CCCCCCC CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC CCC)CO[P](O)(=O)OCCN; O=C(OCC(OC(=O)CCCC CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC CCCC; CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC CCCCCCCCCCCCC)COP(=O)(O)OCCN; CCCCCCCCCC CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC CC)CO[P@](O)(=O)OCCN |
(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE; PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE |
| 37077 | PEW ZINC000150345080 |
1 | C39 H76 Br2 N O8 P | InChI=1S/C39H76Br2NO8P/c1 -3-5-7-9-11-12-13-14-15-1 6-17-21-25-29-38(43)47-33 -35(34-49-51(45,46)48-32- 31-42)50-39(44)30-26-22-1 8-20-24-28-37(41)36(40)27 -23-19-10-8-6-4-2/h35-37H ,3-34,42H2,1-2H3,(H,45,46 )/t35-,36+,37+/m1/s1; DQMAEWCVUIFGMB-BOALQFNTSA-N |
BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O) (OCCN)O)COC(=O)CCCCCCCCCCCCCCC; CCCCCCCC CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(= O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC; CCCCC CCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN )OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCC C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](= O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCC CCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OCC(COP( =O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br) Br |
(1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE; DIBROMINATED PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE |
| 37078 | PEX | 0 | C25 H49 N O8 P | InChI=1S/C25H50NO8P/c1-3- 5-7-9-11-13-15-17-24(27)3 1-21-23(22-33-35(29,30)32 -20-19-26)34-25(28)18-16- 14-12-10-8-6-4-2/h23H,3-2 2,26H2,1-2H3,(H,29,30)/p- 1/t23-/m1/s1; KKOSJVWUOHEQKA-HSZRJFAPSA-M |
CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(= O)CCCCCCCCC; CCCCCCCCCC(=O)OC[CH](CO[P]( [O-])(=O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCC C(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O) CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCC)COP([ O-])(=O)OCCN)CCCCCCCCC; CCCCCCCCCC(=O)OC [C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCC C |
1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE |
| 37079 | PEY CHEMBL46730 ZINC000000967819 |
2 | C14 H10 | InChI=1S/C14H10/c1-3-7-13 -11(5-1)9-10-12-6-2-4-8-1 4(12)13/h1-10H; YNPNZTXNASCQKK-UHFFFAOYSA-N |
c1ccc2c(c1)ccc3ccccc23; c3cc2ccc1ccccc1c 2cc3; c1ccc2c(c1)ccc3c2cccc3 |
PHENANTHRENE |
| 37080 | PEZ DB03248 ZINC000012503329 |
2 | C4 H9 O6 P | InChI=1S/C4H9O6P/c1-2-3(4 (5)6)10-11(7,8)9/h3H,2H2, 1H3,(H,5,6)(H2,7,8,9)/t3- /m1/s1; OETAGSCBSKODFW-GSVOUGTGSA-N |
O=P(O)(O)OC(C(=O)O)CC; CC[C@@H](O[P](O)( O)=O)C(O)=O; CC[CH](O[P](O)(O)=O)C(O)=O; CCC(C(=O)O)OP(=O)(O)O |
2-(PHOSPHONOOXY)BUTANOIC ACID |
| 37081 | PF | 0 | C13 H12 N3 | InChI=1/C13H11N3/c14-10-3 -1-8-5-9-2-4-11(15)7-13(9 )16-12(8)6-10/h1-7H,14-15 H2/p+1/fC13H12N3/h16H/q+1; WDVSHHCDHLJJJR-LJXQPQFLCS |
c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N; Nc1ccc2c c3ccc(N)cc3[nH+]c2c1; c3(ccc2cc1ccc(N)cc 1[nH+]c2c3)N |
PROFLAVINE |
| 37082 | PF0 ZINC000001698894 |
2 | C8 H8 O3 | InChI=1S/C8H8O3/c1-5-6(8( 10)11)3-2-4-7(5)9/h2-4,9H ,1H3,(H,10,11); RIERSGULWXEJKL-UHFFFAOYSA-N |
Cc1c(cccc1O)C(=O)O; O=C(O)c1cccc(O)c1C; Cc1c(O)cccc1C(O)=O |
3-hydroxy-2-methylbenzoic acid |
| 37083 | PF1 ZINC000016052433 |
2 | C9 H14 N4 O2 | InChI=1S/C9H14N4O2/c1-7-1 1-4-8(9(10)12-7)5-13(6-15 )2-3-14/h4,6,14H,2-3,5H2, 1H3,(H2,10,11,12); PXEGMHGZZOOILN-UHFFFAOYSA-N |
O=CN(Cc1cnc(nc1N)C)CCO; Cc1ncc(c(n1)N)CN (CCO)C=O; Cc1ncc(CN(CCO)C=O)c(N)n1 |
N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE |
| 37084 | PF2 CHEMBL515387 DB08382 ZINC000023247686 |
2 | C17 H24 F2 N6 O | InChI=1S/C17H24F2N6O/c18- 17(19)2-5-25(12-17)15(26) 14-10-13(11-22-14)23-6-8- 24(9-7-23)16-20-3-1-4-21- 16/h1,3-4,13-14,22H,2,5-1 2H2/t13-,14-/m0/s1; QWEWGXUTRTXFRF-KBPBESRZSA-N |
c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC( C4)(F)F; c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H ](NC3)C(=O)N4CCC(C4)(F)F; FC4(F)CCN(C(=O )C3NCC(N2CCN(c1ncccn1)CC2)C3)C4; FC1(F)C CN(C1)C(=O)[CH]2C[CH](CN2)N3CCN(CC3)c4nc ccn4; FC1(F)CCN(C1)C(=O)[C@@H]2C[C@@H](C N2)N3CCN(CC3)c4ncccn4 |
2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine |
| 37085 | PF3 CHEMBL508461 DB03367 ZINC000006744035 |
4 | C25 H20 N2 O3 S | InChI=1S/C25H20N2O3S/c28- 24(29)15-22(20-4-2-1-3-5- 20)27-25(30)23-14-21(16-3 1-23)18-8-6-17(7-9-18)19- 10-12-26-13-11-19/h1-14,1 6,22H,15H2,(H,27,30)(H,28 ,29)/t22-/m1/s1; VMTJQZUZINLEKC-JOCHJYFZSA-N |
c1ccc(cc1)C(CC(=O)O)NC(=O)c2cc(cs2)c3ccc (cc3)c4ccncc4; OC(=O)C[C@@H](NC(=O)c1scc (c1)c2ccc(cc2)c3ccncc3)c4ccccc4; c1ccc(c c1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(c c3)c4ccncc4; O=C(O)CC(c1ccccc1)NC(=O)c4s cc(c3ccc(c2ccncc2)cc3)c4; OC(=O)C[CH](NC (=O)c1scc(c1)c2ccc(cc2)c3ccncc3)c4ccccc4 |
(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID; PF-00356231; 3-PHENYL-3-({[4-(4-PYRIDIN-4-YLPHENYL)THIEN-2-YL]CARBONYL}AMINO)PROPANOIC ACID |
| 37086 | PF4 CHEMBL1235237 DB08383 ZINC000000860663 |
1 | C21 H18 N2 O2 S | InChI=1S/C21H18N2O2S/c1-2 4-16-9-5-14(6-10-16)19-20 (15-7-11-17(25-2)12-8-15) 23-21(22-19)18-4-3-13-26- 18/h3-13H,1-2H3,(H,22,23); XBMULXNXJLWLLD-UHFFFAOYSA-N |
n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)c c4; COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3) c4sccc4; COc1ccc(cc1)c2c(nc([nH]2)c3cccs 3)c4ccc(cc4)OC |
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole |
| 37087 | PF5 ZINC000002515995 |
0 | C9 H6 F5 N O2 | InChI=1S/C9H6F5NO2/c10-4- 2(1-3(15)9(16)17)5(11)7(1 3)8(14)6(4)12/h3H,1,15H2, (H,16,17)/t3-/m0/s1; YYTDJPUFAVPHQA-VKHMYHEASA-N |
N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; C(c 1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N; C(c1c(c (c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N; N[C@@H ](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; Fc1c(c( F)c(F)c(F)c1F)CC(C(=O)O)N |
2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE; FLUORINATED PHENYLALANINE |
| 37088 | PF6 CHEMBL562317 DB08384 ZINC000043071709 |
1 | C25 H20 N4 O | InChI=1S/C25H20N4O/c1-2-4 -24-19(3-1)5-8-22(28-24)1 7-30-23-9-6-20(7-10-23)25 -21(16-27-29-25)15-18-11- 13-26-14-12-18/h1-14,16H, 15,17H2,(H,27,29); RQDDHVVAAJVVKM-UHFFFAOYSA-N |
c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n 4)Cc5ccncc5; n1c5c(ccc1COc4ccc(c2nncc2Cc 3ccncc3)cc4)cccc5; C(Oc1ccc(cc1)c2n[nH]c c2Cc3ccncc3)c4ccc5ccccc5n4 |
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline |
| 37089 | PF7 DB08385 ZINC000038995984 |
2 | C16 H18 N2 O2 | InChI=1S/C16H18N2O2/c19-1 6(20)18-7-5-12(6-8-18)9-1 3-10-14-3-1-2-4-15(14)17- 11-13/h1-4,10-12H,5-9H2,( H,19,20); QUAGUFNCKDDJFZ-UHFFFAOYSA-N |
OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2; O=C(O)N 3CCC(Cc1cc2ccccc2nc1)CC3; c1ccc2c(c1)cc( cn2)CC3CCN(CC3)C(=O)O |
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid |
| 37090 | PF8 CHEMBL560377 DB08386 ZINC000035931586 |
1 | C24 H18 N4 O | InChI=1S/C24H18N4O/c1-2-4 -23-18(3-1)5-8-20(27-23)1 6-29-21-9-6-19(7-10-21)24 -22(15-26-28-24)17-11-13- 25-14-12-17/h1-15H,16H2,( H,26,28); VRWJZGHUCOFGPZ-UHFFFAOYSA-N |
n5ccc(c1c(nnc1)c4ccc(OCc2nc3c(cc2)cccc3) cc4)cc5; c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c 4c(c[nH]n4)c5ccncc5; C(Oc1ccc(cc1)c2n[nH ]cc2c3ccncc3)c4ccc5ccccc5n4 |
2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline |
| 37091 | PF9 CHEMBL562318 DB08387 ZINC000035859742 |
5 | C25 H20 N4 O | InChI=1S/C25H20N4O/c1-29- 16-23(18-12-14-26-15-13-1 8)25(28-29)20-7-10-22(11- 8-20)30-17-21-9-6-19-4-2- 3-5-24(19)27-21/h2-16H,17 H2,1H3; AZEXWHKOMMASPA-UHFFFAOYSA-N |
Cn1cc(c2ccncc2)c(n1)c3ccc(OCc4ccc5ccccc5 n4)cc3; n1c5c(ccc1COc4ccc(c3nn(cc3c2ccnc c2)C)cc4)cccc5; Cn1cc(c(n1)c2ccc(cc2)OCc 3ccc4ccccc4n3)c5ccncc5 |
2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline |
| 37092 | PFA CHEMBL125381 DB03181 ZINC000002047672 |
2 | C20 H21 N3 O4 | InChI=1S/C20H21N3O4/c1-11 (2)16-9-15(5-6-17(16)24)2 7-19-12(3)7-14(8-13(19)4) 23-20(26)22-18(25)10-21-2 3/h5-11,24H,1-4H3,(H,22,2 5,26); RXQAVKWRCZYGMV-UHFFFAOYSA-N |
O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2 )C)C)C(=O)N3; Cc1cc(cc(c1Oc2ccc(c(c2)C(C )C)O)C)N3C(=O)NC(=O)C=N3; CC(C)c1cc(Oc2c (C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O |
[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL; 2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE |
| 37093 | PFB DB01711 ZINC000001627118 |
54 | C7 H3 F5 O | InChI=1S/C7H3F5O/c8-3-2(1 -13)4(9)6(11)7(12)5(3)10/ h13H,1H2; PGJYYCIOYBZTPU-UHFFFAOYSA-N |
C(c1c(c(c(c(c1F)F)F)F)F)O; OCc1c(F)c(F)c (F)c(F)c1F; Fc1c(c(F)c(F)c(F)c1F)CO |
2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL |
| 37094 | PFC | 1 | C34 H48 Fe N9 O12 | InChI=1S/C34H48N9O12.Fe/c 1-21(44)41(53)15-7-12-25- 31(49)35-20-30(48)38-28(1 8-24-10-5-4-6-11-24)32(50 )36-19-29(47)37-26(13-8-1 6-42(54)22(2)45)33(51)40- 27(34(52)39-25)14-9-17-43 (55)23(3)46;/h4-6,10-11,2 5-28H,7-9,12-20H2,1-3H3,( H,35,49)(H,36,50)(H,37,47 )(H,38,48)(H,39,52)(H,40, 51);/q-3;+3/t25-,26-,27-, 28+;/m0./s1; CYHYTMBFIKKRSE-OVSNALSBSA-N |
CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)N C(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4 )C(=O5)C)C(=O)N6)Cc7ccccc7)C; CC1=O[Fe]2 345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H] (C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H ](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C; C C(=O)[N@@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H] (Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCC[N@@]( O[Fe](O1)O[N@](CCC[C@H](NC2=O)C(=O)N4)C( =O)C)C(=O)C; CC(=O)[N]1CCC[CH]2NC(=O)CNC (=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC [N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4) C(=O)C)C(=O)C |
PHENYLFERRICROCIN-IRON |
| 37095 | PFD CHEMBL222002 DB08388 ZINC000016051705 |
2 | C20 H19 F N2 O6 | InChI=1S/C20H19FN2O6/c1-2 -27-12-11-20(17(24)22-19( 26)23-18(20)25)29-16-9-7- 15(8-10-16)28-14-5-3-13(2 1)4-6-14/h3-10H,2,11-12H2 ,1H3,(H2,22,23,24,25,26); XRSYNYGEEYTXJV-UHFFFAOYSA-N |
O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)c c2)CCOCC; CCOCCC1(C(=O)NC(=O)NC1=O)Oc2cc c(cc2)Oc3ccc(cc3)F; CCOCCC1(Oc2ccc(Oc3cc c(F)cc3)cc2)C(=O)NC(=O)NC1=O |
5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE |
| 37096 | PFE CHEMBL123678 DB02848 ZINC000002047838 |
2 | C22 H22 N4 O3 S | InChI=1S/C22H22N4O3S/c1-3 -28-19-9-16-17(10-20(19)2 9-4-2)23-13-24-22(16)25-1 5-7-5-6-14(8-15)18-12-30- 21(11-27)26-18/h5-10,12-1 3,27H,3-4,11H2,1-2H3,(H,2 3,24,25); ZJESXGUODSBHSK-UHFFFAOYSA-N |
CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n 4)CO; CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n 4)c2cc1OCC; OCc4nc(c3cc(Nc2ncnc1c2cc(OCC )c(OCC)c1)ccc3)cs4 |
{4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL |
| 37097 | PFF CHEMBL1235242 ZINC000000113778 |
2 | C9 H10 F N O2 | InChI=1S/C9H10FNO2/c10-7- 3-1-6(2-4-7)5-8(11)9(12)1 3/h1-4,8H,5,11H2,(H,12,13 )/t8-/m0/s1; XWHHYOYVRVGJJY-QMMMGPOBSA-N |
Fc1ccc(cc1)CC(C(=O)O)N; c1cc(ccc1CC(C(=O )O)N)F; c1cc(ccc1C[C@@H](C(=O)O)N)F; N[C @@H](Cc1ccc(F)cc1)C(O)=O; N[CH](Cc1ccc(F )cc1)C(O)=O |
4-FLUORO-L-PHENYLALANINE |
| 37098 | PFG | 2 | C39 H44 N8 O15 | InChI=1S/C39H44N8O15/c1-2 -17-47(19-20-3-8-24-23(18 -20)34(54)46-39(40)45-24) 22-6-4-21(5-7-22)33(53)44 -28(38(61)62)11-15-31(50) 42-26(36(57)58)9-13-29(48 )41-25(35(55)56)10-14-30( 49)43-27(37(59)60)12-16-3 2(51)52/h1,3-8,18,25-28H, 9-17,19H2,(H,41,48)(H,42, 50)(H,43,49)(H,44,53)(H,5 1,52)(H,55,56)(H,57,58)(H ,59,60)(H,61,62)(H3,40,45 ,46,54)/t25-,26-,27?,28-/ m0/s1; SASAWWASHFSVQE-QGMKSFRFSA-N |
C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc 3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC( CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; NC 1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@ @H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O )NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O )ccc2N1; NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc 3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](C CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C (O)=O)ccc2N1; C#CC[N@](Cc1ccc2c(c1)C(=O) N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N [C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC( =O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; O=C(O) C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(= O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2c cc3NC(=NC(=O)c3c2)N)CCC(=O)O |
10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID |
| 37099 | PFH CHEMBL410834 DB08389 ZINC000014956477 |
1 | C24 H23 N3 O3 | InChI=1S/C24H23N3O3/c1-28 -22-12-20-21(13-23(22)29- 2)25-15-26-24(20)27-10-9- 19(14-27)30-18-8-7-16-5-3 -4-6-17(16)11-18/h3-8,11- 13,15,19H,9-10,14H2,1-2H3 /t19-/m1/s1; UPTQSRGSSJRBKJ-LJQANCHMSA-N |
COc1cc2ncnc(N3CC[C@H](C3)Oc4ccc5ccccc5c4 )c2cc1OC; COc1cc2ncnc(N3CC[CH](C3)Oc4ccc 5ccccc5c4)c2cc1OC; COc1cc2c(cc1OC)ncnc2[ N@]3CC[C@H](C3)Oc4ccc5ccccc5c4; n1cnc(c2 cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5 ; COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5cc ccc5c4 |
6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE |
| 37100 | PFI DB08390 ZINC000100036690 |
1 | C21 H27 F O4 | InChI=1S/C21H27FO4/c1-14( 2)25-19-8-7-15(11-18(19)2 2)9-10-21(16-5-3-4-6-16)1 3-17(23)12-20(24)26-21/h7 -8,11-12,14,16,23H,3-6,9- 10,13H2,1-2H3/t21-/m0/s1; AKNIHFDXRAOPAI-NRFANRHFSA-N |
CC(C)Oc1ccc(cc1F)CCC2(CC(=CC(=O)O2)O)C3C CCC3; CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O )O2)O)C3CCCC3; CC(C)Oc1ccc(CC[C@]2(CC(=C C(=O)O2)O)C3CCCC3)cc1F; Fc1c(OC(C)C)ccc( c1)CCC2(OC(=O)C=C(O)C2)C3CCCC3; CC(C)Oc1 ccc(CC[C]2(CC(=CC(=O)O2)O)C3CCCC3)cc1F |
(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE |
| 37101 | PFJ CHEMBL219445 DB08391 ZINC000014956507 |
1 | C22 H21 N5 O3 | InChI=1S/C22H21N5O3/c1-28 -19-9-15-18(10-20(19)29-2 )24-13-25-22(15)27-8-7-14 (12-27)30-21-11-23-16-5-3 -4-6-17(16)26-21/h3-6,9-1 1,13-14H,7-8,12H2,1-2H3/t 14-/m1/s1; UBIIFKJMNRPNMT-CQSZACIVSA-N |
COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4cnc5cccc c5n4; COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)O c4cnc5ccccc5n4; n1cnc(c2cc(OC)c(OC)cc12) N5CCC(Oc3nc4c(nc3)cccc4)C5; COc1cc2ncnc( N3CC[CH](C3)Oc4cnc5ccccc5n4)c2cc1OC; COc 1cc2ncnc(N3CC[C@H](C3)Oc4cnc5ccccc5n4)c2 cc1OC |
6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE |
| 37102 | PFK CHEMBL1738857 ZINC000066167060 |
1 | C20 H17 N3 O2 | InChI=1S/C20H17N3O2/c1-24 -19-10-15-12-21-13-22-18( 15)11-20(19)25-9-8-16-7-6 -14-4-2-3-5-17(14)23-16/h 2-7,10-13H,8-9H2,1H3; REIGRVDNVZOVDL-UHFFFAOYSA-N |
n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc 4; COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3 |
6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline |
| 37103 | PFL CHEMBL526 DB00818 ZINC000000968303 |
41 | C12 H18 O | InChI=1S/C12H18O/c1-8(2)1 0-6-5-7-11(9(3)4)12(10)13 /h5-9,13H,1-4H3; OLBCVFGFOZPWHH-UHFFFAOYSA-N |
Oc1c(cccc1C(C)C)C(C)C; CC(C)c1cccc(c1O)C (C)C; CC(C)c1cccc(C(C)C)c1O |
2,6-BIS(1-METHYLETHYL)PHENOL; 2,6-DIISOPROPYLPHENOL; PROPOFOL |
| 37104 | PFM ZINC000033821463 |
5 | C14 H19 N2 O8 P | InChI=1S/C14H19N2O8P/c1-8 -13(18)11(9(6-16-8)7-24-2 5(21,22)23)4-2-10(17)3-5- 12(15)14(19)20/h2-4,6,12, 17-18H,5,7,15H2,1H3,(H,19 ,20)(H2,21,22,23)/b4-2+,1 0-3-/t12-/m0/s1; FKVMVCAAQIJMAO-UGEYCXAUSA-N |
O=C(O)C(N)C/C=C(\O)/C=C/c1c(cnc(c1O)C)CO P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=CC (=CCC(C(=O)O)N)O)O; Cc1ncc(CO[P](O)(O)=O )c(/C=C/C(O)=C/C[C@H](N)C(O)=O)c1O; Cc1n cc(CO[P](O)(O)=O)c(C=CC(O)=CC[CH](N)C(O) =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C( =C\C[C@@H](C(=O)O)N)\O)O |
1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE; PYRIDOXYLIDENE-PROPEN-1-YL-3-ALANINE-5-PHOSPHATE |
| 37105 | PFN CHEMBL249244 ZINC000000402909 |
7 | C15 H14 O3 | InChI=1S/C15H14O3/c1-11(1 5(16)17)12-6-5-9-14(10-12 )18-13-7-3-2-4-8-13/h2-11 H,1H3,(H,16,17)/t11-/m1/s 1; RDJGLLICXDHJDY-LLVKDONJSA-N |
C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1; C[C@H] (c1cccc(c1)Oc2ccccc2)C(=O)O; CC(c1cccc(c 1)Oc2ccccc2)C(=O)O; C[C@@H](C(O)=O)c1ccc c(Oc2ccccc2)c1; O=C(O)C(c2cc(Oc1ccccc1)c cc2)C |
FENOPROFEN; (2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID |
| 37106 | PFO CHEMBL4128865 |
1 | C22 H22 F N7 O | InChI=1S/C22H22FN7O/c23-1 6-3-1-15(2-4-16)20-21(19- 5-9-25-22(24)27-19)30(14- 26-20)18-6-10-29(11-7-18) 13-17-8-12-31-28-17/h1-5, 8-9,12,14,18H,6-7,10-11,1 3H2,(H2,24,25,27); XPWHRQHBPRSUAW-UHFFFAOYSA-N |
c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5 ccnc(n5)N)F; Fc1ccc(cc1)c3ncn(c3c2nc(ncc 2)N)C5CCN(Cc4nocc4)CC5; Nc1nccc(n1)c2n(c nc2c3ccc(F)cc3)C4CCN(CC4)Cc5ccon5 |
4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine |
| 37107 | PFP CHEMBL190201 DB08392 ZINC000002501415 |
1 | C22 H21 N3 O4 | InChI=1S/C22H21N3O4/c1-27 -16-7-3-14(4-8-16)18-19-2 1(23-11-12-26)24-13-25-22 (19)29-20(18)15-5-9-17(28 -2)10-6-15/h3-10,13,26H,1 1-12H2,1-2H3,(H,23,24,25); ARBUGBBNEFAECO-UHFFFAOYSA-N |
COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)N CCO; COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4cc c(OC)cc4; n1c(c2c(nc1)oc(c2c3ccc(OC)cc3) c4ccc(OC)cc4)NCCO |
2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL |
| 37108 | PFQ CHEMBL189434 DB08393 ZINC000001803337 |
2 | C20 H17 N3 O2 | InChI=1S/C20H17N3O2/c24-1 2-11-21-19-17-16(14-7-3-1 -4-8-14)18(15-9-5-2-6-10- 15)25-20(17)23-13-22-19/h 1-10,13,24H,11-12H2,(H,21 ,22,23); UQHINZSKNAAVOZ-UHFFFAOYSA-N |
OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12; n 1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO; c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO |
2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL |
| 37109 | PFR ZINC000066167124 |
1 | C27 H28 N4 O2 | InChI=1S/C27H28N4O2/c1-32 -25-17-24-23(16-26(25)33- 15-12-22-11-5-6-13-28-22) 27(30-19-29-24)31-14-7-10 -21(18-31)20-8-3-2-4-9-20 /h2-6,8-9,11,13,16-17,19, 21H,7,10,12,14-15,18H2,1H 3/t21-/m1/s1; DWBBOQWADWMQGE-OAQYLSRUSA-N |
COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[ C@H](C4)c5ccccc5; COc1cc2ncnc(N3CCC[CH]( C3)c4ccccc4)c2cc1OCCc5ccccn5; n1cnc5c(c1 N3CCCC(c2ccccc2)C3)cc(OCCc4ncccc4)c(OC)c 5; COc1cc2c(cc1OCCc3ccccn3)c(ncn2)N4CCCC (C4)c5ccccc5; COc1cc2ncnc(N3CCC[C@H](C3) c4ccccc4)c2cc1OCCc5ccccn5 |
7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline |
| 37110 | PFS CHEMBL1235246 DB02261 |
4 | C26 H54 N O7 P | InChI=1S/C26H54NO7P/c1-6- 7-8-9-10-11-12-13-14-15-1 6-17-18-19-21-31-23-26(34 -25(2)28)24-33-35(29,30)3 2-22-20-27(3,4)5/h26H,6-2 4H2,1-5H3/t26-/m1/s1; HVAUUPRFYPCOCA-AREMUKBSSA-N |
CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+] (C)(C)C)OC(=O)C; CCCCCCCCCCCCCCCCOC[CH]( CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; [ O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC) OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCOC[C@H]( CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; C CCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[ N+](C)(C)C)OC(=O)C |
(2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate; PLATELET ACTIVATING FACTOR |
| 37111 | PFT CHEMBL514290 |
5 | C15 H13 N O3 | InChI=1S/C15H13NO3/c17-12 -5-6-13(14(18)7-12)15(19) 16-8-10-3-1-2-4-11(10)9-1 6/h1-7,17-18H,8-9H2; FYANAIGOGAIFAF-UHFFFAOYSA-N |
c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O; O=C( c1ccc(O)cc1O)N3Cc2ccccc2C3; Oc1ccc(c(O)c 1)C(=O)N2Cc3ccccc3C2 |
4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol |
| 37112 | PFU CHEMBL1164953 ZINC000049803241 |
5 | C9 H14 N3 O9 P | InChI=1S/C9H14N3O9P/c10-9 (16)4-6(14)3(11-12-4)8-7( 15)5(13)2(21-8)1-20-22(17 ,18)19/h2,5,7-8,13-15H,1H 2,(H2,10,16)(H,11,12)(H2, 17,18,19)/t2-,5-,7-,8+/m1 /s1; CUHDHRMGDRLFLH-FLLFQEBCSA-N |
C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)N)O)O)O)O P(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@H](O 1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O; NC(=O)c1[nH]nc([C@@H]2O[C@H](CO[P](O)(O) =O)[C@@H](O)[C@H]2O)c1O; NC(=O)c1[nH]nc( [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c 1O; O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C (O)C2O |
(1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol; Pyrazofurin Monophosphate |
| 37113 | PFV ZINC000098209297 |
1 | C20 H26 N8 O12 S2 | InChI=1S/C20H26N8O12S2/c1 -20(2,17(33)34)40-26-15(1 2-8-41-18(21)25-12)16(32) 24-11(7-29)10(27-42(37,38 )39)5-23-19(35)22-4-9-3-1 3(30)14(31)6-28(9)36/h3,6 -8,10-11,27,31,36H,4-5H2, 1-2H3,(H2,21,25)(H,24,32) (H,33,34)(H2,22,23,35)(H, 37,38,39)/b26-15-/t10-,11 -/m1/s1; DRGQACYRFXBYPT-SATPWBBZSA-N |
CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O )C(CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O )O; CC(C)(O/N=C(C(=O)N[C@H](C=O)[C@@H](C NC(=O)NCC1=CC(=O)C(=CN1O)O)N[S](O)(=O)=O )/c2csc(N)n2)C(O)=O; CC(C)(C(=O)O)O/N=C( /c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC( =O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O; CC( C)(ON=C(C(=O)N[CH](C=O)[CH](CNC(=O)NCC1= CC(=O)C(=CN1O)O)N[S](O)(=O)=O)c2csc(N)n2 )C(O)=O; O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS (=O)(=O)O)C(C=O)NC(=O)C(=N\OC(C(=O)O)(C) C)/c2nc(sc2)N |
(6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid |
| 37114 | PFW ZINC000043194380 |
1 | C31 H30 N4 O2 | InChI=1S/C31H30N4O2/c1-36 -29-19-28-26(18-30(29)37- 17-15-25-14-13-23-10-5-6- 12-27(23)34-25)31(33-21-3 2-28)35-16-7-11-24(20-35) 22-8-3-2-4-9-22/h2-6,8-10 ,12-14,18-19,21,24H,7,11, 15-17,20H2,1H3/t24-/m1/s1; MUQUFIBWWXZLNL-XMMPIXPASA-N |
n1cnc6c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4nc5 c(cc4)cccc5)c(OC)c6; COc1cc2ncnc(N3CCC[C @H](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5; COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@ ]5CCC[C@H](C5)c6ccccc6; COc1cc2ncnc(N3CC C[CH](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5 ; COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)N 5CCCC(C5)c6ccccc6 |
7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline |
| 37115 | PFX CHEMBL370260 ZINC000001618813 |
2 | C6 H13 N O4 | InChI=1S/C6H13NO4/c7-1-2- 10-3-4-11-5-6(8)9/h1-5,7H 2,(H,8,9); RUVRGYVESPRHSZ-UHFFFAOYSA-N |
NCCOCCOCC(O)=O; C(COCCOCC(=O)O)N | 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid |
| 37116 | PFY | 1 | C32 H34 Cl2 N4 O4 S | InChI=1S/C32H34Cl2N4O4S/c 1-19-29(35-20(2)30(19)32( 40)38-14-6-7-21(38)17-37- 12-3-4-13-37)16-24-23-15- 22(10-11-28(23)36-31(24)3 9)43(41,42)18-25-26(33)8- 5-9-27(25)34/h5,8-11,15-1 6,21,35H,3-4,6-7,12-14,17 -18H2,1-2H3,(H,36,39)/b24 -16-/t21-/m0/s1; OYONTEXKYJZFHA-MVUTXWCHSA-N |
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)[S](=O)( =O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@H] 5CN6CCCC6; Clc1cccc(Cl)c1CS(=O)(=O)c2ccc 3c(c2)/C(C(=O)N3)=C/c4c(c(c(n4)C)C(=O)N5 CCCC5CN6CCCC6)C; Cc1c([nH]c(c1C(=O)N2CCC [C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S (=O)(=O)Cc6c(cccc6Cl)Cl; Cc1c([nH]c(c1C( =O)N2CCCC2CN3CCCC3)C)C=C4c5cc(ccc5NC4=O) S(=O)(=O)Cc6c(cccc6Cl)Cl; Cc1[nH]c(C=C2C (=O)Nc3ccc(cc23)[S](=O)(=O)Cc4c(Cl)cccc4 Cl)c(C)c1C(=O)N5CCC[CH]5CN6CCCC6 |
(3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE |
| 37117 | PFZ DB02617 |
2 | C17 H22 Cl2 N2 O | InChI=1S/C17H22Cl2N2O/c1- 2-3-4-5-8-17(22,12-21-10- 9-20-13-21)15-7-6-14(18)1 1-16(15)19/h6-7,9-11,13,2 2H,2-5,8,12H2,1H3/t17-/m0 /s1; WJBNLGBHMWNHRZ-KRWDZBQOSA-N |
CCCCCC[C](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; CC CCCCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC [C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC[ C@](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; Clc1ccc( c(Cl)c1)C(O)(CCCCCC)Cn2ccnc2 |
1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE |
| 37118 | PG0 CHEMBL1235250 ZINC000001577245 |
0 | C5 H12 O3 | InChI=1S/C5H12O3/c1-7-4-5 -8-3-2-6/h6H,2-5H2,1H3; SBASXUCJHJRPEV-UHFFFAOYSA-N |
COCCOCCO; OCCOCCOC | 2-(2-METHOXYETHOXY)ETHANOL; PEG 6000 |
| 37119 | PG1 DB02968 |
0 | C19 H23 N3 O7 S | InChI=1S/C19H25N3O7S/c1-1 9(2)14(17(26)27)22-15(30- 19)13(18(28)29-9-11(20)16 (24)25)21-12(23)8-10-6-4- 3-5-7-10/h3-7,11,13-15,22 H,8-9,20H2,1-2H3,(H,21,23 )(H,24,25)(H,26,27)/p-2/t 11-,13-,14-,15+/m0/s1; USNINKBPBVKHHZ-CYUUQNCZSA-L |
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H ](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-]) C; CC1(C)S[CH](N[CH]1C([O-])=O)[CH](NC(= O)Cc2ccccc2)C(=O)OC[CH](N)C([O-])=O; CC1 (C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O)Cc 2ccccc2)C(=O)[O-])C; CC1(C)S[C@@H](N[C@H ]1C([O-])=O)[C@H](NC(=O)Cc2ccccc2)C(=O)O C[C@H](N)C([O-])=O; O=C(NC(C(=O)OCC(C([O -])=O)N)C1SC(C(N1)C([O-])=O)(C)C)Cc2cccc c2 |
PENICILLIN G ACYL-SERINE |
| 37120 | PG2 CHEMBL1235252 DB02056 ZINC000085994848 |
4 | C20 H32 O5 | InChI=1S/C20H32O5/c1-2-3- 6-9-15(21)12-13-17-16(18( 22)14-19(17)23)10-7-4-5-8 -11-20(24)25/h4,7,12-13,1 5-18,21-22H,2-3,5-6,8-11, 14H2,1H3,(H,24,25)/b7-4-, 13-12+/t15-,16+,17+,18-/m 0/s1; BHMBVRSPMRCCGG-OUTUXVNYSA-N |
CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O; O=C1CC(O)C(C\C=C/CCCC(=O)O)C1/C=C/C(O)C CCCC; CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC( O)=O)[CH](O)CC1=O; CCCCC[C@@H](\C=C\[C@@ H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O ; CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C\C=C/ CCCC(O)=O)[C@@H](O)CC1=O |
PROSTAGLANDIN D2; (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID |
| 37121 | PG3 DB03637 |
6 | C4 H12 N3 O | InChI=1S/C4H11N3O/c5-4(6) 7-2-1-3-8/h8H,1-3H2,(H4,5 ,6,7)/p+1; JDXXTKLHHZMVIO-UHFFFAOYSA-O |
C(CNC(=[NH2+])N)CO; NC(=[NH2+])NCCCO; OC CCNC(=[NH2+])\N |
GUANIDINE-3-PROPANOL |
| 37122 | PG4 CHEMBL1235254 ZINC000001591820 |
14 | C8 H18 O5 | InChI=1S/C8H18O5/c9-1-3-1 1-5-7-13-8-6-12-4-2-10/h9 -10H,1-8H2; UWHCKJMYHZGTIT-UHFFFAOYSA-N |
OCCOCCOCCOCCO; C(COCCOCCOCCO)O | TETRAETHYLENE GLYCOL |
| 37123 | PG5 CHEMBL1235255 DB02078 ZINC000001693863 |
0 | C8 H18 O4 | InChI=1S/C8H18O4/c1-9-3-5 -11-7-8-12-6-4-10-2/h3-8H 2,1-2H3; YFNKIDBQEZZDLK-UHFFFAOYSA-N |
O(C)CCOCCOCCOC; COCCOCCOCCOC | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE |
| 37124 | PG6 DB02580 ZINC000004530388 |
0 | C12 H26 O6 | InChI=1S/C12H26O6/c1-13-3 -5-15-7-9-17-11-12-18-10- 8-16-6-4-14-2/h3-12H2,1-2 H3; DMDPGPKXQDIQQG-UHFFFAOYSA-N |
O(CCOC)CCOCCOCCOCCOC; COCCOCCOCCOCCOCCOC | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE |
| 37125 | PG7 CHEMBL477487 DB04457 |
0 | C10 H14 N5 O7 P | InChI=1S/C10H14N5O7P/c11- 10-13-8-7(9(17)14-10)12-3 -15(8)6-1-4(16)5(22-6)2-2 1-23(18,19)20/h3-6,16H,1- 2H2,(H2,18,19,20)(H3,11,1 3,14,17)/t4-,5+,6+/m0/s1; LTFMZDNNPPEQNG-KVQBGUIXSA-N |
O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O; c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)( O)O)O)nc(nc2O)N; Nc1nc(O)c2ncn([CH]3C[CH ](O)[CH](CO[P](O)(O)=O)O3)c2n1; c1nc2c(n 1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2O)N; Nc1n c(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O) (O)=O)O3)c2n1 |
((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE |
| 37126 | PG8 | 0 | C22 H42 O10 P | InChI=1S/C22H43O10P/c1-3- 5-7-9-11-13-21(25)29-17-2 0(32-22(26)14-12-10-8-6-4 -2)18-31-33(27,28)30-16-1 9(24)15-23/h19-20,23-24H, 3-18H2,1-2H3,(H,27,28)/p- 1/t19-,20-/m1/s1; BQEXNLVNNRZNEI-WOJBJXKFSA-M |
CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH] (O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H] (CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCC CCCC; CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O )OC[C@H](O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O )OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC ; O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CC CCCCC)CCCCCCC |
1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) |
| 37127 | PG9 CHEMBL1403 ZINC000000154476 |
3 | C8 H9 N O2 | InChI=1S/C8H9NO2/c9-7(8(1 0)11)6-4-2-1-3-5-6/h1-5,7 H,9H2,(H,10,11)/t7-/m1/s1; ZGUNAGUHMKGQNY-SSDOTTSWSA-N |
O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1 |
D-PHENYLGLYCINE |
| 37128 | PGA CHEMBL47181 DB02726 ZINC000003869735 |
169 | C2 H5 O6 P | InChI=1S/C2H5O6P/c3-2(4)1 -8-9(5,6)7/h1H2,(H,3,4)(H 2,5,6,7); ASCFNMCAHFUBCO-UHFFFAOYSA-N |
OC(=O)CO[P](O)(O)=O; C(C(=O)O)OP(=O)(O)O ; O=P(O)(O)OCC(=O)O |
2-PHOSPHOGLYCOLIC ACID |
| 37129 | PGC CHEMBL371668 DB03026 |
0 | C2 H6 N O6 P | InChI=1/C2H6NO6P/c4-2(3-5 )1-9-10(6,7)8/h5H,1H2,(H, 3,4)(H2,6,7,8)/f/h3,6-7H; BAXHHWZKQZIJID-UXQYJXSCCI |
O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O ; ONC(=O)CO[P](O)(O)=O |
O-PHOSPHOGLYCOLOHYDROXAMATE |
| 37130 | PGD ZINC000195756841 |
32 | C20 H24 N10 O13 P2 S2 | InChI=1S/C20H24N10O13P2S2 /c21-19-26-13-7(15(33)28- 19)24-6-12(47)11(46)5(41- 17(6)25-13)2-40-45(37,38) 43-44(35,36)39-1-4-9(31)1 0(32)18(42-4)30-3-23-8-14 (30)27-20(22)29-16(8)34/h 3-6,9-10,17-18,31-32,46-4 7H,1-2H2,(H,35,36)(H,37,3 8)(H3,22,27,29,34)(H3,21, 25,26,28,33)/t4-,5-,6+,9- ,10-,17-,18-/m1/s1; SOFMTHSWCZNJTQ-ILXWUORBSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O CC4C(=C(C5C(O4)NC6=NC(=NC(=O)C6=N5)N)S)S )O)O)N=C(NC2=O)N; O=C6N=C(N=C1C6=NC2C(S) =C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n 4cnc3c4N=C(N)NC3=O)C(O)C5O)N; NC1=Nc2n(c nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[ P@@](O)(=O)OC[C@H]4O[C@H]5NC6=NC(=NC(=O) C6=N[C@H]5C(=C4S)S)N)[C@@H](O)[C@H]3O; c 1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[ P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@ H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O )O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH ]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[ CH]5NC6=NC(=NC(=O)C6=N[CH]5C(=C4S)S)N)[C H](O)[CH]3O |
2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE |
| 37131 | PGE CHEMBL1235259 DB02327 ZINC000001690436 |
3 | C6 H14 O4 | InChI=1S/C6H14O4/c7-1-3-9 -5-6-10-4-2-8/h7-8H,1-6H2; ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
C(COCCOCCO)O; OCCOCCOCCO | TRIETHYLENE GLYCOL |
| 37132 | PGF | 0 | C9 H20 O4 | InChI=1S/C9H20O4/c1-3-11- 6-7-13-9-8-12-5-4-10-2/h3 -9H2,1-2H3; JRRDISHSXWGFRF-UHFFFAOYSA-N |
CCOCCOCCOCCOC; O(C)CCOCCOCCOCC | 2,5,8,11-TETRAOXATRIDECANE |
| 37133 | PGG DB08394 ZINC000002043201 |
2 | C12 H15 N2 O8 P | InChI=1S/C12H15N2O8P/c15- 11(13-8-12(16)17)2-1-7-23 (20,21)22-10-5-3-9(4-6-10 )14(18)19/h3-6H,1-2,7-8H2 ,(H,13,15)(H,16,17)(H,20, 21); WLNKGRQBMNPVSJ-UHFFFAOYSA-N |
O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N CC(=O)O; c1cc(ccc1[N+](=O)[O-])O[P@@](=O )(CCCC(=O)NCC(=O)O)O; OC(=O)CNC(=O)CCC[P ](O)(=O)Oc1ccc(cc1)[N+]([O-])=O; c1cc(cc c1[N+](=O)[O-])OP(=O)(CCCC(=O)NCC(=O)O)O ; OC(=O)CNC(=O)CCC[P@](O)(=O)Oc1ccc(cc1) [N+]([O-])=O |
PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE; N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE |
| 37134 | PGH CHEMBL371668 DB03026 |
74 | C2 H6 N O6 P | InChI=1S/C2H6NO6P/c4-2(3- 5)1-9-10(6,7)8/h5H,1H2,(H ,3,4)(H2,6,7,8); BAXHHWZKQZIJID-UHFFFAOYSA-N |
O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O ; ONC(=O)CO[P](O)(O)=O |
PHOSPHOGLYCOLOHYDROXAMIC ACID |
| 37135 | PGI ZINC000103553232 |
4 | C16 H21 N2 O4 | InChI=1S/C16H20N2O4/c19-9 -12-13(20)14(21)15(22)16- 17-11(8-18(12)16)7-6-10-4 -2-1-3-5-10/h1-5,8,12-15, 19-22H,6-7,9H2/p+1/t12-,1 3-,14+,15-/m1/s1; MLRMIFDEZCZOAE-APIJFGDWSA-O |
c1ccc(cc1)CCc2c[n+]3c([nH]2)C(C(C(C3CO)O )O)O; OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH] c(CCc3ccccc3)c[n+]12; c1ccc(cc1)CCc2c[n+ ]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O )c2[nH]c(CCc3ccccc3)c[n+]12; OCC2[n+]1cc (nc1C(O)C(O)C2O)CCc3ccccc3 |
(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL |
| 37136 | PGJ CHEMBL371491 DB08395 ZINC000016051715 |
1 | C22 H18 F N3 O5 | InChI=1S/C22H18FN3O5/c1-2 -29-13-26-20(19(21(28)31- 26)14-7-9-15(23)10-8-14)1 6-11-12-24-22(25-16)30-18 -6-4-3-5-17(18)27/h3-12,2 7H,2,13H2,1H3; ZSOXFJURLPCSOO-UHFFFAOYSA-N |
CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3 )Oc4ccccc4O; Fc4ccc(C=1C(=O)ON(C=1c3nc(O c2ccccc2O)ncc3)COCC)cc4; CCOC[N@]1C(=C(C (=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O; CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c 4ccc(F)cc4 |
2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE |
| 37137 | PGK ZINC000150345090 |
2 | C40 H77 Br2 O10 P | InChI=1S/C40H77Br2O10P/c1 -3-5-7-9-11-12-13-14-15-1 6-17-21-25-29-39(45)49-33 -36(34-51-53(47,48)50-32- 35(44)31-43)52-40(46)30-2 6-22-18-20-24-28-38(42)37 (41)27-23-19-10-8-6-4-2/h 35-38,43-44H,3-34H2,1-2H3 ,(H,47,48)/t35-,36-,37+,3 8+/m1/s1; SZYLEOPJERUXOZ-RNATXAOGSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)( O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H ](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OC [CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC CC[CH](Br)[CH](Br)CCCCCCCC; BrC(CCCCCCCC )C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O) COC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC (=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC (=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO )O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br |
(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE; DIBROMINATED PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] (SODIUM SALT) |
| 37138 | PGL CHEMBL41873 ZINC000008418339 |
1 | C H6 N O3 P | InChI=1S/CH6NO3P/c2-1-6(3 ,4)5/h1-2H2,(H2,3,4,5); MGRVRXRGTBOSHW-UHFFFAOYSA-N |
NC[P](O)(O)=O; C(N)P(=O)(O)O; O=P(O)(O)C N |
(aminomethyl)phosphonic acid |
| 37139 | PGM DB03438 |
6 | C22 H44 O9 P | InChI=1S/C22H45O9P/c1-2-3 -4-5-6-7-8-9-10-11-12-13- 14-15-22(26)29-17-21(25)1 9-31-32(27,28)30-18-20(24 )16-23/h20-21,23-25H,2-19 H2,1H3,(H,27,28)/p-1/t20- ,21-/m0/s1; BVJSKAUUFXBDOB-SFTDATJTSA-M |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC (CO)O)O; CCCCCCCCCCCCCCCC(=O)OC[C@H](O)C O[P]([O-])(=O)OC[C@@H](O)CO; CCCCCCCCCCC CCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](C O)O)O; O=C(OCC(O)COP([O-])(=O)OCC(O)CO)C CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C H](O)CO[P]([O-])(=O)OC[CH](O)CO |
1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]; LYSOPHOSPHATIDYLGLYCEROL |
| 37140 | PGN CHEMBL1235266 |
0 | C10 H15 N5 O10 P2 | InChI=1S/C10H15N5O10P2/c1 1-10-13-8-7(9(16)14-10)12 -3-15(8)6-1-4(25-27(20,21 )22)5(24-6)2-23-26(17,18) 19/h3-6H,1-2H2,(H2,17,18, 19)(H2,20,21,22)(H3,11,13 ,14,16)/t4-,5+,6+/m0/s1; HLOADLNVPDIIIB-KVQBGUIXSA-N |
c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O) O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH] 3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O 3; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O) O)C3)COP(=O)(O)O; c1nc2c(n1[C@H]3C[C@@H] ([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2 =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H]( O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O3 |
2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE |
| 37141 | PGO DB04349 ZINC000000895316 |
0 | C3 H8 O2 | InChI=1S/C3H8O2/c1-3(5)2- 4/h3-5H,2H2,1H3/t3-/m0/s1; DNIAPMSPPWPWGF-VKHMYHEASA-N |
CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H ](CO)O; OCC(O)C |
S-1,2-PROPANEDIOL |
| 37142 | PGP ZINC000013507796 |
2 | C10 H15 N5 O11 P2 | InChI=1S/C10H15N5O11P2/c1 1-10-13-7-4(8(17)14-10)12 -2-15(7)9-5(16)6(26-28(21 ,22)23)3(25-9)1-24-27(18, 19)20/h2-3,5-6,9,16H,1H2, (H2,18,19,20)(H2,21,22,23 )(H3,11,13,14,17)/t3-,5-, 6-,9-/m1/s1; XYVNHPYNSPGYLI-UUOKFMHZSA-N |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O )O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H]( [C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O )N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3 O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[C H]3O; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H] (CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H] 3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O )O)C3O)COP(=O)(O)O |
GUANOSINE-3',5'-DIPHOSPHATE |
| 37143 | PGQ DB04349 |
0 | C3 H8 O2 | InChI=1/C3H8O2/c1-3(5)2-4 /h3-5H,2H2,1H3/t3-/m0/s1; DNIAPMSPPWPWGF-VKHMYHEABO |
CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H ](CO)O; OCC(O)C |
S-1,2-PROPANEDIOL |
| 37144 | PGR DB02159 ZINC000000895318 |
0 | C3 H8 O2 | InChI=1S/C3H8O2/c1-3(5)2- 4/h3-5H,2H2,1H3/t3-/m1/s1; DNIAPMSPPWPWGF-GSVOUGTGSA-N |
CC(CO)O; C[C@@H](O)CO; C[CH](O)CO; C[C@H ](CO)O; OCC(O)C |
R-1,2-PROPANEDIOL |
| 37145 | PGS DB03146 |
2 | C10 H15 N4 O10 P2 S | InChI=1S/C10H14N4O10P2S/c 15-6-4(1-23-25(17,18)19)2 4-10(7(6)16)14-3-13-5-8(1 4)11-2-12-9(5)27-26(20,21 )22/h2-4,6-7,10,15-16H,1H 2,(H2,17,18,19)(H2,20,21, 22)/p+1/t4-,6-,7-,10-/m1/ s1; NYBPOGVUIOPXHI-KQYNXXCUSA-O |
c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H ]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O; O [CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2c nc3c(S[P](O)(O)=O)[nH+]cnc23; c1[nH+]c(c 2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)S P(=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(O)=O) O[C@H]([C@@H]1O)n2cnc3c(S[P](O)(O)=O)[nH +]cnc23; O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3 OC(C(O)C3O)COP(=O)(O)O |
2-DEAZO-6-THIOPHOSPHATE GUANOSINE-5'-MONOPHOSPHATE |
| 37146 | PGT ZINC000058638415 |
45 | C40 H79 O10 P | InChI=1S/C40H79O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 2-24-26-28-30-32-40(44)50 -38(36-49-51(45,46)48-34- 37(42)33-41)35-47-39(43)3 1-29-27-25-23-21-19-16-14 -12-10-8-6-4-2/h37-38,41- 42H,3-36H2,1-2H3,(H,45,46 )/t37-,38+/m1/s1; KBPVYRBBONZJHF-AMAPPZPBSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC CCCCCCC)COP(=O)(O)OCC(CO)O; CCCCCCCCCCCC CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC )CO[P@](O)(=O)OC[C@H](O)CO; CCCCCCCCCCCC CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC )CO[P@@](=O)(O)OC[C@@H](CO)O; CCCCCCCCCC CCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC )CO[P](O)(=O)OC[CH](O)CO; O=C(OCC(OC(=O) CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCC CCCCCCCCCCCC |
(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE; PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT) |
| 37147 | PGU ZINC000012501127 |
38 | C13 H19 N2 O9 P | InChI=1S/C13H19N2O9P/c1-7 -12(18)9(8(4-14-7)6-24-25 (21,22)23)5-15-10(13(19)2 0)2-3-11(16)17/h4,10,15,1 8H,2-3,5-6H2,1H3,(H,16,17 )(H,19,20)(H2,21,22,23)/t 10-/m0/s1; JMRKOGDJNHPMHS-JTQLQIEISA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C( =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CC C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O) c(CN[C@@H](CCC(O)=O)C(O)=O)c1O; Cc1c(c(c (cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O) O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O )CCC(=O)O |
N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid |
| 37148 | PGV ZINC000032838297 |
25 | C40 H77 O10 P | InChI=1S/C40H77O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 2-24-26-28-30-32-40(44)50 -38(36-49-51(45,46)48-34- 37(42)33-41)35-47-39(43)3 1-29-27-25-23-21-19-16-14 -12-10-8-6-4-2/h13,15,37- 38,41-42H,3-12,14,16-36H2 ,1-2H3,(H,45,46)/b15-13-/ t37-,38+/m0/s1; ADYWCMPUNIVOEA-GPJPVTGXSA-N |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O C[CH](O)CO)OC(=O)CCCCCCCCCC=CCCCCCC; CCC CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O) OC(=O)CCCCCCCCCC=CCCCCCC; O=C(OC(COP(=O) (OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCC CCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[ C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCC CCCCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)O C[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO)OC(=O )CCCCCCCCC\C=C/CCCCCC |
(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE; PHOSPHATIDYLGLYCEROL; 2-VACCENOYL-1-PALMITOYL-SN-GLYCEROL-3-PHOSPHOGLYCEROL |
| 37149 | PGW ZINC000008552309 |
741 | C40 H77 O10 P | InChI=1S/C40H77O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 2-24-26-28-30-32-40(44)50 -38(36-49-51(45,46)48-34- 37(42)33-41)35-47-39(43)3 1-29-27-25-23-21-19-16-14 -12-10-8-6-4-2/h17-18,37- 38,41-42H,3-16,19-36H2,1- 2H3,(H,45,46)/b18-17-/t37 -,38+/m0/s1; PAZGBAOHGQRCBP-HGWHEPCSSA-N |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O C[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCC CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O C[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O )OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCCCCCC CCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)C O)OC(=O)CCCCCCC\C=C/CCCCCCCC; O=C(OC(COP (=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)C CCCCCC\C=C/CCCCCCCC |
(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate; 1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)]; PHOSPHATIDYLGLYCEROL |
| 37150 | PGX DB03866 ZINC000008220097 |
4 | C20 H32 O6 | InChI=1S/C20H32O6/c1-2-3- 6-9-15(24-23)12-13-17-16( 18-14-19(17)26-25-18)10-7 -4-5-8-11-20(21)22/h4,7,1 2-13,15-19,23H,2-3,5-6,8- 11,14H2,1H3,(H,21,22)/b7- 4-,13-12+/t15-,16+,17+,18 -,19+/m0/s1; SGUKUZOVHSFKPH-YNNPMVKQSA-N |
CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH] 1CC=CCCCC(O)=O; CCCCC[C@H](OO)/C=C/[C@H] 1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O ; O=C(O)CCC/C=C\CC2C1OOC(C1)C2/C=C/C(OO) CCCCC; CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O) OO2)OO; CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C @@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO |
7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID; PROSTAGLANDIN G2 |
| 37151 | PGY CHEMBL1403 |
0 | C8 H9 N O2 | InChI=1/C8H9NO2/c9-7(8(10 )11)6-4-2-1-3-5-6/h1-5,7H ,9H2,(H,10,11)/t7-/m1/s1/ f/h10H; ZGUNAGUHMKGQNY-WHOHDODWDK |
O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1 |
PHENYLGLYCINE |
| 37152 | PGZ CHEMBL1162112 ZINC000014976476 |
2 | C22 H28 N O8 P S | InChI=1S/C22H28NO8PS/c1-1 4-8-10-16(11-9-14)21(26)2 3-18-19(25)17(12-24)30-22 (33-2)20(18)31-32(27,28)2 9-13-15-6-4-3-5-7-15/h3-1 1,17-20,22,24-25H,12-13H2 ,1-2H3,(H,23,26)(H,27,28) /t17-,18+,19+,20-,22+/m1/ s1; IDAWZVIHHBVHNS-QWPXSNKBSA-N |
Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H ]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O; CS [C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2c cc(C)cc2)[C@H]1O[P](O)(=O)OCc3ccccc3; Cc 1ccc(cc1)C(=O)NC2C(C(OC(C2OP(=O)(O)OCc3c cccc3)SC)CO)O; CS[CH]1O[CH](CO)[CH](O)[C H](NC(=O)c2ccc(C)cc2)[CH]1O[P](O)(=O)OCc 3ccccc3; O=P(OC2C(NC(=O)c1ccc(cc1)C)C(O) C(OC2SC)CO)(OCc3ccccc3)O |
METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE |
| 37153 | PH0 ZINC000013807080 |
1 | C27 H31 N2 O5 P | InChI=1S/C27H31N2O5P/c28- 25(18-22-14-8-3-9-15-22)3 5(33,34)19-23(16-20-10-4- 1-5-11-20)26(30)29-24(27( 31)32)17-21-12-6-2-7-13-2 1/h1-15,23-25H,16-19,28H2 ,(H,29,30)(H,31,32)(H,33, 34)/t23-,24+,25-/m1/s1; XNPYGVCNHOXQRJ-DSNGMDLFSA-N |
N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc 2)C(=O)N[CH](Cc3ccccc3)C(O)=O; c1ccc(cc1 )C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C( =O)N[C@@H](Cc3ccccc3)C(=O)O; N[C@@H](Cc1 ccccc1)[P@@](O)(=O)C[C@@H](Cc2ccccc2)C(= O)N[C@@H](Cc3ccccc3)C(O)=O; O=C(O)C(NC(= O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3 ccccc3; c1ccc(cc1)CC(CP(=O)(C(Cc2ccccc2) N)O)C(=O)NC(Cc3ccccc3)C(=O)O |
N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine |
| 37154 | PH1 ZINC000024791085 |
6 | C43 H88 O2 | InChI=1S/C43H88O2/c1-35(2 )18-12-20-37(5)22-14-24-3 9(7)26-16-28-41(9)30-32-4 4-34-43(11)45-33-31-42(10 )29-17-27-40(8)25-15-23-3 8(6)21-13-19-36(3)4/h35-4 3H,12-34H2,1-11H3/t37-,38 -,39-,40-,41-,42-,43+/m0/ s1; ICKFQWWHLUUVMF-FYYCEQFTSA-N |
O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(C CCC(CCCC(C)CCCC(C)C)C)C)C; CC(C)CCC[CH]( C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH] (C)CCC[CH](C)CCC[CH](C)CCCC(C)C; CC(C)CC C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H ](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C) CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC C(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE; PHYTANYL MOIETY |
| 37155 | PH2 CHEMBL1233322 DB02119 |
63 | C7 H9 N5 O2 | InChI=1S/C7H9N5O2/c8-7-11 -5-4(6(14)12-7)10-3(2-13) 1-9-5/h13H,1-2H2,(H4,8,9, 11,12,14); CQQNNQTXUGLUEV-UHFFFAOYSA-N |
NC1=NC2=C(N=C(CO)CN2)C(=O)N1; O=C1NC(=NC =2NCC(=NC1=2)CO)N; C1C(=NC2=C(N1)N=C(NC2 =O)N)CO |
2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE |
| 37156 | PH3 CHEMBL323202 DB04559 |
6 | C7 H8 Cl N3 O | InChI=1S/C7H8ClN3O/c8-5-1 -3-6(4-2-5)10-7(9)11-12/h 1-4,12H,(H3,9,10,11); JYBXKTLYOMPMQY-UHFFFAOYSA-N |
ONC(=N)Nc1ccc(Cl)cc1; Clc1ccc(NC(=[N@H]) NO)cc1; c1cc(ccc1NC(=N)NO)Cl |
N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE |
| 37157 | PH4 CHEMBL1235276 ZINC000058638417 |
2 | C5 H13 N O10 P2 | InChI=1S/C5H13NO10P2/c7-5 (4-16-18(12,13)14)6(8)2-1 -3-15-17(9,10)11/h8H,1-4H 2,(H2,9,10,11)(H2,12,13,1 4); IISKWLQYGVRJHI-UHFFFAOYSA-N |
C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O; ON( CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O; O=P( O)(OCCCN(O)C(=O)COP(=O)(O)O)O |
3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate |
| 37158 | PH5 ZINC000016051842 |
3 | C19 H27 N O9 | InChI=1S/C19H27NO9/c1-2-1 4(24)20-15-12(22)8-19(18( 26)27,28-10-11-6-4-3-5-7- 11)29-17(15)16(25)13(23)9 -21/h3-7,12-13,15-17,21-2 3,25H,2,8-10H2,1H3,(H,20, 24)(H,26,27)/t12-,13+,15+ ,16+,17+,19+/m0/s1; XDURJXFZCXMSHL-YZKZVDITSA-N |
CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H ]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O; CC C(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2) (O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O; CCC(= O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[C H](O)[CH](O)CO)C(O)=O; CCC(=O)NC1C(CC(OC 1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O; O=C(O) C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C (O)C2 |
benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid; 2-PHENYL-PROP5AC; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid; benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid |
| 37159 | PH6 CHEMBL4091905 ZINC000021984673 |
0 | C11 H19 N O2 | InChI=1S/C11H19NO2/c13-11 (14)10-6-9(7-12-10)8-4-2- 1-3-5-8/h8-10,12H,1-7H2,( H,13,14)/t9-,10+/m1/s1; XRZWVSXEDRYQGC-ZJUUUORDSA-N |
OC(=O)[CH]1C[CH](CN1)C2CCCCC2; C1CCC(CC1 )[C@@H]2C[C@H](NC2)C(=O)O; C1CCC(CC1)C2C C(NC2)C(=O)O; OC(=O)[C@@H]1C[C@H](CN1)C2 CCCCC2; O=C(O)C2NCC(C1CCCCC1)C2 |
(4S)-4-cyclohexyl-L-proline |
| 37160 | PH7 | 1 | C22 H16 Br N O4 | InChI=1S/C22H16BrNO4/c23- 18-8-4-5-9-20(18)28-17-12 -10-15(11-13-17)14-19(22( 26)27)24-21(25)16-6-2-1-3 -7-16/h1-14H,(H,24,25)(H, 26,27)/b19-14-; WLPJLQNKCJWAFL-RGEXLXHISA-N |
c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc 3Br)/C(=O)O; Brc3ccccc3Oc2ccc(/C=C(/C(=O )O)NC(=O)c1ccccc1)cc2; c1ccc(cc1)C(=O)NC (=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O; OC(=O)C (/NC(=O)c1ccccc1)=C/c2ccc(Oc3ccccc3Br)cc 2; OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccc cc3Br)cc2 |
(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID |
| 37161 | PH8 CHEMBL4071657 ZINC000001570983 |
0 | C11 H15 N O2 | InChI=1S/C11H15NO2/c12-10 (11(13)14)8-4-7-9-5-2-1-3 -6-9/h1-3,5-6,10H,4,7-8,1 2H2,(H,13,14)/t10-/m0/s1; XOQZTHUXZWQXOK-JTQLQIEISA-N |
c1ccc(cc1)CCC[C@@H](C(=O)O)N; c1ccc(cc1) CCCC(C(=O)O)N; N[CH](CCCc1ccccc1)C(O)=O; N[C@@H](CCCc1ccccc1)C(O)=O; C(O)(=O)C(N )CCCc1ccccc1 |
5-phenyl-L-norvaline |
| 37162 | PH9 | 1 | C26 H28 Br N O4 | InChI=1S/C26H28BrNO4/c27- 21-3-1-2-4-23(21)32-20-7- 5-16(6-8-20)12-22(24(29)3 0)28-25(31)26-13-17-9-18( 14-26)11-19(10-17)15-26/h 1-8,17-19,22H,9-15H2,(H,2 8,31)(H,29,30)/t17-,18+,1 9-,22?,26+; SJHUUZUNPUEALW-ZDXWGTOVSA-N |
Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24 CC3CC(CC(C2)C3)C4; OC(=O)[C@@H](Cc1ccc(O c2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5)C3)C 4; c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O )C34CC5CC(C3)CC(C5)C4)Br; OC(=O)[CH](Cc1 ccc(Oc2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5 )C3)C4 |
(2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID |
| 37163 | PHA | 1 | C9 H11 N O | InChI=1S/C9H11NO/c10-9(7- 11)6-8-4-2-1-3-5-8/h1-5,7 ,9H,6,10H2/t9-/m0/s1; CQIUZHAQYHXKRY-VIFPVBQESA-N |
c1ccc(cc1)CC(C=O)N; c1ccc(cc1)C[C@@H](C= O)N; O=CC(N)Cc1ccccc1; N[CH](Cc1ccccc1)C =O; N[C@@H](Cc1ccccc1)C=O |
PHENYLALANINAL |
| 37164 | PHB CHEMBL441343 DB04242 ZINC000000332752 |
0 | C7 H6 O3 | InChI=1S/C7H6O3/c8-6-3-1- 5(2-4-6)7(9)10/h1-4,8H,(H ,9,10); FJKROLUGYXJWQN-UHFFFAOYSA-N |
OC(=O)c1ccc(O)cc1; O=C(O)c1ccc(O)cc1; c1 cc(ccc1C(=O)O)O |
P-HYDROXYBENZOIC ACID |
| 37165 | PHC DB04379 |
0 | C10 H13 N O | InChI=1S/C10H13NO/c1-9(11 (2)8-12)10-6-4-3-5-7-10/h 3-9H,1-2H3/t9-/m0/s1; YYPINKULTUCCJA-VIFPVBQESA-N |
C[C@@H](c1ccccc1)N(C)C=O; O=CN(C(c1ccccc 1)C)C; C[C@H](N(C)C=O)c1ccccc1; C[CH](N( C)C=O)c1ccccc1; CC(c1ccccc1)N(C)C=O |
N-METHYL-N-(METHYLBENZYL)FORMAMIDE |
| 37166 | PHD DB01857 |
0 | C4 H8 N O7 P | InChI=1S/C4H8NO7P/c5-2(4( 7)8)1-3(6)12-13(9,10)11/h 2H,1,5H2,(H,7,8)(H2,9,10, 11)/t2-/m0/s1; IXZNKTPIYKDIGG-REOHCLBHSA-N |
C(C(C(=O)O)N)C(=O)OP(=O)(O)O; N[CH](CC(= O)O[P](O)(O)=O)C(O)=O; O=C(OP(=O)(O)O)CC (C(=O)O)N; N[C@@H](CC(=O)O[P](O)(O)=O)C( O)=O; C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O |
ASPARTYL PHOSPHATE |
| 37167 | PHE CHEMBL301523 DB00120 ZINC000000105196 |
455 | C9 H11 N O2 | InChI=1S/C9H11NO2/c10-8(9 (11)12)6-7-4-2-1-3-5-7/h1 -5,8H,6,10H2,(H,11,12)/t8 -/m0/s1; COLNVLDHVKWLRT-QMMMGPOBSA-N |
N[CH](Cc1ccccc1)C(O)=O; N[C@@H](Cc1ccccc 1)C(O)=O; c1ccc(cc1)CC(C(=O)O)N; c1ccc(c c1)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1ccccc1 |
PHENYLALANINE |
| 37168 | PHF | 3 | H11 Hf5 O23 P | InChI=1S/5Hf.H3O4P.11H2O. 8O/c;;;;;1-5(2,3)4;;;;;;; ;;;;;;;;;;;;/h;;;;;(H3,1, 2,3,4);11*1H2;;;;;;;;/q2* +2;2*+3;+4;;;;;;;;;;;;;;; ;;;;;/p-14; YWHPABBSPOVOJT-UHFFFAOYSA-A |
O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf ]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O) (O2)(O6)[O]378)O5; O[Hf]12(O[Hf]34(O15[H f]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O 2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O; O[Hf ]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[H f]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O )O)(O)(O)O)(O)O; O[Hf]123O[P@@]4(=O)O[Hf ]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)( O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5 |
HF-OXO-PHOSPHATE CLUSTER PHF |
| 37169 | PHG | 1 | C6 H5 Hg | InChI=1S/C6H5.Hg/c1-2-4-6 -5-3-1;/h1-5H;; DCNLOVYDMCVNRZ-UHFFFAOYSA-N |
[Hg]c1ccccc1; c1ccc(cc1)[Hg] | PHENYLMERCURY |
| 37170 | PHH CHEMBL357452 DB03302 ZINC000002012697 |
1 | C8 H2 Cl4 O2 | InChI=1S/C8H2Cl4O2/c9-4-2 -1-14-8(13)3(2)5(10)7(12) 6(4)11/h1H2; NMWKWBPNKPGATC-UHFFFAOYSA-N |
O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl; Clc1c(Cl) c(Cl)c2C(=O)OCc2c1Cl; C1c2c(c(c(c(c2Cl)C l)Cl)Cl)C(=O)O1 |
4,5,6,7-TETRACHLORO-PHTHALIDE; 4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE |
| 37171 | PHI CHEMBL1235284 DB03660 ZINC000000391104 |
5 | C9 H10 I N O2 | InChI=1S/C9H10INO2/c10-7- 3-1-6(2-4-7)5-8(11)9(12)1 3/h1-4,8H,5,11H2,(H,12,13 )/t8-/m0/s1; PZNQZSRPDOEBMS-QMMMGPOBSA-N |
N[CH](Cc1ccc(I)cc1)C(O)=O; N[C@@H](Cc1cc c(I)cc1)C(O)=O; c1cc(ccc1CC(C(=O)O)N)I; c1cc(ccc1C[C@@H](C(=O)O)N)I; Ic1ccc(cc1) CC(C(=O)O)N |
IODO-PHENYLALANINE |
| 37172 | PHJ DB04157 |
2 | C7 H8 N2 O2 | InChI=1S/C7H8N2O2/c8-11-7 (10)9-6-4-2-1-3-5-6/h1-5H ,8H2,(H,9,10); YQHOHPOCZUAUKP-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)ON; O=C(ON)Nc1ccccc1; NO C(=O)Nc1ccccc1 |
N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE; N-[(AMINOOXY)CARBONYL]ANILINE |
| 37173 | PHK DB04415 ZINC000012504342 |
2 | C10 H14 Cl N O | InChI=1S/C10H14ClNO/c11-7 -10(13)9(12)6-8-4-2-1-3-5 -8/h1-5,9-10,13H,6-7,12H2 /t9-,10-/m0/s1; YXWOYBQZWSLSMU-UWVGGRQHSA-N |
c1ccc(cc1)C[C@@H]([C@H](CCl)O)N; N[CH](C c1ccccc1)[CH](O)CCl; N[C@@H](Cc1ccccc1)[ C@@H](O)CCl; ClCC(O)C(N)Cc1ccccc1; c1ccc (cc1)CC(C(CCl)O)N |
(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL |
| 37174 | PHL CHEMBL1235287 DB04484 ZINC000006731693 |
0 | C9 H13 N O | InChI=1S/C9H13NO/c10-9(7- 11)6-8-4-2-1-3-5-8/h1-5,9 ,11H,6-7,10H2/t9-/m0/s1; STVVMTBJNDTZBF-VIFPVBQESA-N |
N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO)N; N [C@H](CO)Cc1ccccc1; OCC(N)Cc1ccccc1; c1c cc(cc1)C[C@@H](CO)N |
L-PHENYLALANINOL; bound form of Phenylalaninal |
| 37175 | PHM DB08374 |
0 | C10 H12 Cl N O | InChI=1S/C10H12ClNO/c11-7 -10(13)9(12)6-8-4-2-1-3-5 -8/h1-5,9H,6-7,12H2/t9-/m 0/s1; CNNSBPMDYXZFTQ-VIFPVBQESA-N |
ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc( cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc 1)C(=O)CCl |
(3S)-3-amino-1-chloro-4-phenylbutan-2-one |
| 37176 | PHN CHEMBL415879 DB02365 ZINC000000164363 |
35 | C12 H8 N2 | InChI=1S/C12H8N2/c1-3-9-5 -6-10-4-2-8-14-12(10)11(9 )13-7-1/h1-8H; DGEZNRSVGBDHLK-UHFFFAOYSA-N |
c1cc2ccc3cccnc3c2nc1; c1cnc2c(c1)ccc3ccc nc23; n1c3c(ccc1)ccc2cccnc23 |
1,10-PHENANTHROLINE |
| 37177 | PHO CHEMBL3349047 |
1417 | C55 H74 N4 O5 | InChI=1S/C55H74N4O5/c1-13 -39-35(8)42-28-44-37(10)4 1(24-25-48(60)64-27-26-34 (7)23-17-22-33(6)21-16-20 -32(5)19-15-18-31(3)4)52( 58-44)50-51(55(62)63-12)5 4(61)49-38(11)45(59-53(49 )50)30-47-40(14-2)36(9)43 (57-47)29-46(39)56-42/h13 ,26,28-33,37,41,51,56,59H ,1,14-25,27H2,2-12H3/b34- 26+,42-28-,43-29-,44-28-, 45-30-,46-29-,47-30-,52-5 0-/t32-,33-,37+,41+,51-/m 1/s1; CQIKWXUXPNUNDV-RCBXBCQGSA-N |
CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c( [nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(= O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C ; CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O )OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C) C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c ([nH]c56)cc1n2)c(C)c3C=C; O=C(OC\C=C(/C) CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\ C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O )OC)C)C(=C5C)CC)C)C6C; CCC1=C(/c/2c/c3c( c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c 1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C )CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C )CCCC(C)C)C)C=C)C; CCc1c(C)c2cc3[nH]c(cc 4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH ](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O) c6c(C)c([nH]c56)cc1n2)c(C)c3C=C |
PHEOPHYTIN A |
| 37178 | PHP ZINC000098209299 |
2 | C42 H51 N4 O8 P | InChI=1S/C42H51N4O8P/c1-2 9(2)37(45-41(49)53-27-33- 21-13-7-14-22-33)39(47)43 -35(25-31-17-9-5-10-18-31 )55(51,52)36(26-32-19-11- 6-12-20-32)44-40(48)38(30 (3)4)46-42(50)54-28-34-23 -15-8-16-24-34/h5-24,29-3 0,35-38H,25-28H2,1-4H3,(H ,43,47)(H,44,48)(H,45,49) (H,46,50)(H,51,52)/t35-,3 6-,37+,38+/m1/s1; NKLAQVJZOVABOV-RNATXAOGSA-N |
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H] (Cc2ccccc2)[P@@](O)(=O)[C@H](Cc3ccccc3)N C(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C; CC(C )C(C(=O)NC(Cc1ccccc1)P(=O)(C(Cc2ccccc2)N C(=O)C(C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OC c4ccccc4; CC(C)[C@@H](C(=O)N[C@@H](Cc1cc ccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C (C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4 ; O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P( =O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)C c4ccccc4)C(C)C; CC(C)[CH](NC(=O)OCc1cccc c1)C(=O)N[CH](Cc2ccccc2)[P](O)(=O)[CH](C c3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C )C |
(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID |
| 37179 | PHQ CHEMBL1581748 ZINC000000388130 |
0 | C8 H7 Cl O2 | InChI=1S/C8H7ClO2/c9-8(10 )11-6-7-4-2-1-3-5-7/h1-5H ,6H2; HSDAJNMJOMSNEV-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)Cl; ClC(=O)OCc1ccccc1 | benzyl chlorocarbonate |
| 37180 | PHR ZINC000058638660 |
20 | C16 H27 N4 O11 P | InChI=1S/C16H27N4O11P/c21 -8-10(23)12(24)9(22)7-20- 13-11(14(25)18-15(26)17-1 3)19(16(20)27)5-3-1-2-4-6 -31-32(28,29)30/h9-10,12, 21-24H,1-8H2,(H2,28,29,30 )(H2,17,18,25,26)/t9-,10- ,12+/m1/s1; SLRQIPDGMUYATQ-FOGDFJRCSA-N |
C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C 1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O; OC[C@ @H](O)[C@@H](O)[C@H](O)CN1C(=O)N(CCCCCCO [P](O)(O)=O)C2=C1NC(=O)NC2=O; OC[CH](O)[ CH](O)[CH](O)CN1C(=O)N(CCCCCCO[P](O)(O)= O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N( C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO; C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N( C1=O)CC(C(C(CO)O)O)O |
3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE |
| 37181 | PHS CHEMBL1235291 ZINC000245204350 |
17 | H3 O3 P | InChI=1S/H3O3P/c1-4(2)3/h 4H,(H2,1,2,3); ABLZXFCXXLZCGV-UHFFFAOYSA-N |
OP(=O)O; O=P(O)O; O[PH](O)=O | PHOSPHONIC ACID |
| 37182 | PHT CHEMBL1045 DB02746 ZINC000000090750 |
29 | C8 H6 O4 | InChI=1S/C8H6O4/c9-7(10)5 -3-1-2-4-6(5)8(11)12/h1-4 H,(H,9,10)(H,11,12); XNGIFLGASWRNHJ-UHFFFAOYSA-N |
OC(=O)c1ccccc1C(O)=O; O=C(O)c1ccccc1C(=O )O; c1ccc(c(c1)C(=O)O)C(=O)O |
PHTHALIC ACID |
| 37183 | PHU CHEMBL168445 ZINC000000391870 |
28 | C7 H8 N2 O | InChI=1S/C7H8N2O/c8-7(10) 9-6-4-2-1-3-5-6/h1-5H,(H3 ,8,9,10); LUBJCRLGQSPQNN-UHFFFAOYSA-N |
c1ccc(cc1)NC(=O)N; NC(=O)Nc1ccccc1; O=C( Nc1ccccc1)N |
1-phenylurea; Phenylurea |
| 37184 | PHV ZINC000098209300 |
1 | C33 H40 N3 O8 P | InChI=1S/C33H40N3O8P/c1-4 3-22-12-20-28(45(40,41)42 )34-31(37)27-19-11-21-36( 27)32(38)30(35-33(39)44-2 3-24-13-5-2-6-14-24)29(25 -15-7-3-8-16-25)26-17-9-4 -10-18-26/h2-10,13-18,27- 30H,11-12,19-23H2,1H3,(H, 34,37)(H,35,39)(H2,40,41, 42)/t27-,28-,30+/m0/s1; RQOYKJRZXWFGEE-TWLDFKIOSA-N |
COCCCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3 ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O; COCCC [C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c 2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)( O)O; O=C(NC(CCCOC)P(=O)(O)O)C4N(C(=O)C(N C(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)CCC4 ; COCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC (=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O )(O)=O; COCCC[C@@H](NC(=O)[C@@H]1CCCN1C( =O)[C@H](NC(=O)OCc2ccccc2)C(c3ccccc3)c4c cccc4)[P](O)(O)=O |
N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide |
| 37185 | PHW ZINC000098209301 |
1 | C45 H48 N3 O9 P | InChI=1S/C45H48N3O9P/c1-5 4-32-18-30-40(58(52,53,56 -37-25-13-5-14-26-37)57-3 8-27-15-6-16-28-38)46-43( 49)39-29-17-31-48(39)44(5 0)42(47-45(51)55-33-34-19 -7-2-8-20-34)41(35-21-9-3 -10-22-35)36-23-11-4-12-2 4-36/h2-16,18-28,32,39-42 ,52-53H,17,29-31,33H2,1H3 ,(H,46,49)(H,47,51)/b32-1 8+/t39-,40-,42+/m0/s1; RYHYSOICLVLDDN-JBHUJMBHSA-N |
COC=CC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC( =O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O) (O)(Oc5ccccc5)Oc6ccccc6; CO\C=C\C[C@@H]( NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OCc2c cccc2)C(c3ccccc3)c4ccccc4)[P](O)(O)(Oc5c cccc5)Oc6ccccc6; O=C(NC(C\\C=C\\OC)P(Oc1 ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O) OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6; COC =CCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3cc ccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5) Oc6ccccc6; CO/C=C/C[C@@H](NC(=O)[C@@H]1C CCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(= O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6 |
N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide |
| 37186 | PHX | 3 | C14 H14 N2 O4 | InChI=1S/C14H14N2O4/c17-1 2(18)7-4-8-15-9-11-14(19) 20-13(16-11)10-5-2-1-3-6- 10/h1-3,5-6,9,15H,4,7-8H2 ,(H,17,18); PXGNVFUWTUIRCJ-UHFFFAOYSA-N |
O=C1OC(=N\C1=C\NCCCC(=O)O)c2ccccc2; OC(= O)CCCNC=C1N=C(OC1=O)c2ccccc2; OC(=O)CCCN \C=C1/N=C(OC1=O)c2ccccc2; c1ccc(cc1)C2=N C(=CNCCCC(=O)O)C(=O)O2 |
4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID |
| 37187 | PHY ZINC000001532435 |
5 | C6 H15 N O7 P2 | InChI=1S/C6H15NO7P2/c1-4( 6(8)9)3-15(10,5(2)7)14-16 (11,12)13/h4-5H,3,7H2,1-2 H3,(H,8,9)(H2,11,12,13)/t 4-,5-,15+/m0/s1; BAIYWTZQRMCJBV-DKDXWZAISA-N |
C[C@@H](N)[P@@](=O)(C[C@H](C)C(O)=O)O[P] (O)(O)=O; CC(CP(=O)(C(C)N)OP(=O)(O)O)C(= O)O; C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O) (O)O)C(=O)O; O=P(OP(=O)(O)O)(C(N)C)CC(C( =O)O)C; C[CH](N)[P](=O)(C[CH](C)C(O)=O)O [P](O)(O)=O |
1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID |
| 37188 | PHZ CHEMBL456807 ZINC000000388099 |
2 | C6 H8 N2 | InChI=1S/C6H8N2/c7-8-6-4- 2-1-3-5-6/h1-5,8H,7H2; HKOOXMFOFWEVGF-UHFFFAOYSA-N |
NNc1ccccc1; c1ccc(cc1)NN | 1-PHENYLHYDRAZINE; phenyldiazane; PHENYLHYDRAZINE |
| 37189 | PI | 0 | H O4 P | InChI=1S/H3O4P/c1-5(2,3)4 /h(H3,1,2,3,4)/p-2; NBIIXXVUZAFLBC-UHFFFAOYSA-L |
[O-]P([O-])(=O)O; OP(=O)([O-])[O-]; O[P] ([O-])([O-])=O |
HYDROGENPHOSPHATE ION |
| 37190 | PI0 ZINC000039035254 |
1 | C26 H36 N6 O5 S | InChI=1S/C26H36N6O5S/c1-3 -17(2)23(32-38(36,37)16-1 9-7-5-4-6-8-19)26(35)31-2 1(13-14-22(27)33)25(34)30 -15-18-9-11-20(12-10-18)2 4(28)29/h4-12,17,21,23,32 H,3,13-16H2,1-2H3,(H2,27, 33)(H3,28,29)(H,30,34)(H, 31,35)/t17-,21+,23-/m1/s1; RKXCEYZSZWJMTQ-FRGLQRNOSA-N |
[H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O )C(C(C)CC)NS(=O)(=O)Cc2ccccc2)N; CC[CH]( C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N[CH]( CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)=N; [H]/N= C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O )[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\ N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C (=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2; CC[ C@@H](C)[C@@H](N[S](=O)(=O)Cc1ccccc1)C(= O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc(cc2)C(N) =N |
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide |
| 37191 | PI1 CHEMBL1235296 |
0 | C34 H53 N7 O8 | InChI=1S/C34H53N7O8/c1-5- 20(4)30(34(48)39-29(19(2) 3)31(36)45)40-33(47)25-8- 6-14-41(25)18-26(42)23-16 -21-10-12-22(13-11-21)49- 15-7-9-28(44)37-24(17-27( 35)43)32(46)38-23/h10-13, 19-20,23-26,29-30,42H,5-9 ,14-18H2,1-4H3,(H2,35,43) (H2,36,45)(H,37,44)(H,38, 46)(H,39,48)(H,40,47)/t20 -,23-,24-,25-,26-,29-,30- /m0/s1; NTXPPIBCRQQDJL-DNNFQJJYSA-N |
CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCC N1CC(C2Cc3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC (=O)N)O; CC[C@H](C)[C@H](NC(=O)[C@@H]1CC CN1C[C@H](O)[C@@H]2Cc3ccc(OCCCC(=O)N[C@@ H](CC(N)=O)C(=O)N2)cc3)C(=O)N[C@@H](C(C) C)C(N)=O; CC[C@H](C)[C@@H](C(=O)N[C@@H]( C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([ C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2 )CC(=O)N)O; O=C(N)C(NC(=O)C(NC(=O)C1N(CC C1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3 )CC(=O)N)C(C)CC)C(C)C; CC[CH](C)[CH](NC( =O)[CH]1CCCN1C[CH](O)[CH]2Cc3ccc(OCCCC(= O)N[CH](CC(N)=O)C(=O)N2)cc3)C(=O)N[CH](C (C)C)C(N)=O |
; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1 |
| 37192 | PI2 ZINC000031260358 |
0 | C23 H36 N4 O5 | InChI=1S/C23H36N4O5/c1-15 (2)9-10-25-14-20(28)18-12 -16-5-7-17(8-6-16)32-11-3 -4-22(30)26-19(13-21(24)2 9)23(31)27-18/h5-8,15,18- 20,25,28H,3-4,9-14H2,1-2H 3,(H2,24,29)(H,26,30)(H,2 7,31)/t18-,19-,20+/m0/s1; SCRDVDSVEKGWGQ-SLFFLAALSA-N |
CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O )N1)CC(=O)N)O; O=C1NC(C(O)CNCCC(C)C)Cc2c cc(OCCCC(=O)NC1CC(=O)N)cc2; CC(C)CCNC[C@ H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(= O)N1)CC(=O)N)O; CC(C)CCNC[C@@H](O)[C@@H] 1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1 )cc2; CC(C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC( =O)N[CH](CC(N)=O)C(=O)N1)cc2 |
2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL] -6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-8-YL}-ACETAMIDE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2 |
| 37193 | PI3 ZINC000008577179 |
0 | C24 H39 N3 O4 | InChI=1S/C24H39N3O4/c1-16 (2)11-12-25-15-21(28)20-1 4-18-7-9-19(10-8-18)31-13 -5-6-22(29)27-23(17(3)4)2 4(30)26-20/h7-10,16-17,20 -21,23,25,28H,5-6,11-15H2 ,1-4H3,(H,26,30)(H,27,29) /t20-,21+,23-/m0/s1; IUDJFSQFSQZRNP-XJUOHMSHSA-N |
CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O )N1)C(C)C)O; CC(C)CCNC[C@@H](O)[C@@H]1Cc 2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2; CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC( =O)N[C@H](C(=O)N1)C(C)C)O; O=C1NC(C(O)CN CCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2; CC (C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH] (C(C)C)C(=O)N1)cc2 |
11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10- DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3 |
| 37194 | PI4 ZINC000014954120 |
2 | C28 H43 N5 O6 | InChI=1S/C28H43N5O6/c1-28 (2,3)32-27(38)22-7-4-5-13 -33(22)17-23(34)20-15-18- 9-11-19(12-10-18)39-14-6- 8-25(36)30-21(16-24(29)35 )26(37)31-20/h9-12,20-23, 34H,4-8,13-17H2,1-3H3,(H2 ,29,35)(H,30,36)(H,31,37) (H,32,38)/t20-,21-,22-,23 +/m0/s1; GHEDXAXQQMZPLE-CWBXHPNXSA-N |
CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@ @H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)C C(=O)N)O; CC(C)(C)NC(=O)[CH]1CCCCN1C[CH] (O)[CH]2Cc3ccc(OCCCC(=O)N[CH](CC(N)=O)C( =O)N2)cc3; CC(C)(C)NC(=O)C1CCCCN1CC(C2Cc 3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC(=O)N)O; O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(N C(=O)CCCOc2ccc(cc2)C3)CC(=O)N; CC(C)(C)N C(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]2Cc3cc c(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N2)cc3 |
1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4 |
| 37195 | PI5 ZINC000058632560 |
2 | C37 H53 N5 O7 | InChI=1S/C37H53N5O7/c1-5- 24(4)33-36(47)38-17-7-19- 49-28-15-11-26(12-16-28)2 1-30(35(46)41-33)39-22-31 (44)29(20-25-9-13-27(43)1 4-10-25)40-37(48)34(23(2) 3)42-18-6-8-32(42)45/h9-1 6,23-24,29-31,33-34,39,43 -44H,5-8,17-22H2,1-4H3,(H ,38,47)(H,40,48)(H,41,46) /t24-,29-,30-,31+,33-,34- /m0/s1; WGWWDGLTNADWNS-HKERLIEGSA-N |
CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1= O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[ CH](C(C)C)N4CCCC4=O; O=C1N(CCC1)C(C(=O)N C(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCC Oc3ccc(cc3)C4)C(C)CC)C(C)C; CC[C@H](C)[C @@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC [C@@H](O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]( C(C)C)N4CCCC4=O; CCC(C)C1C(=O)NCCCOc2ccc (cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O )C(C(C)C)N4CCCC4=O)O; CC[C@H](C)[C@H]1C( =O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H ]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N 4CCCC4=O)O |
N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5 |
| 37196 | PI6 ZINC000014954127 |
4 | C33 H48 N4 O6 | InChI=1S/C33H48N4O6/c1-6- 22(2)29-31(40)34-17-10-18 -42-25-15-13-24(14-16-25) 20-27(30(39)37-29)35-21-2 8(38)26(19-23-11-8-7-9-12 -23)36-32(41)43-33(3,4)5/ h7-9,11-16,22,26-29,35,38 H,6,10,17-21H2,1-5H3,(H,3 4,40)(H,36,41)(H,37,39)/t 22-,26-,27-,28+,29-/m0/s1; RFUKEYSMPSCDLJ-CLFZCTPNSA-N |
CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@ @H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(= O)OC(C)(C)C)O; CC[C@H](C)[C@@H]1NC(=O)[C @H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H ](Cc3ccccc3)NC(=O)OC(C)(C)C; CC[CH](C)[C H]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH ](O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C; O=C( OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C (=O)NCCCOc2ccc(cc2)C3)C(C)CC; CCC(C)C1C( =O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3cc ccc3)NC(=O)OC(C)(C)C)O |
[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6 |
| 37197 | PI7 ZINC000058638592 |
2 | C36 H53 N5 O7 | InChI=1S/C36H53N5O7/c1-6- 23(5)33-35(46)37-17-8-18- 48-27-15-11-25(12-16-27)2 0-29(34(45)41-33)38-21-30 (43)28(19-24-9-13-26(42)1 4-10-24)39-36(47)32(22(3) 4)40-31(44)7-2/h9-16,22-2 3,28-30,32-33,38,42-43H,6 -8,17-21H2,1-5H3,(H,37,46 )(H,39,47)(H,40,44)(H,41, 45)/t23-,28-,29-,30+,32-, 33-/m0/s1; GGJVAHWDPSGNIX-UFJOGPAOSA-N |
CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)N CC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)NC(=O)CC )O; O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3 C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C( C)C)CC; CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc( cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc (cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O; CC[ C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1 =O)cc2)NC[C@@H](O)[C@H](Cc3ccc(O)cc3)NC( =O)[C@@H](NC(=O)CC)C(C)C; CC[CH](C)[CH]1 NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O )[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)CC)C (C)C |
N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7 |
| 37198 | PI8 ZINC000027102321 |
2 | C41 H54 N4 O6 | InChI=1S/C41H54N4O6/c1-3- 27(2)37-41(50)42-20-10-5- 11-21-51-33-18-16-29(17-1 9-33)23-35(40(49)44-37)43 -26-32(46)24-31(22-28-12- 6-4-7-13-28)39(48)45-38-3 4-15-9-8-14-30(34)25-36(3 8)47/h4,6-9,12-19,27,31-3 2,35-38,43,46-47H,3,5,10- 11,20-26H2,1-2H3,(H,42,50 )(H,44,49)(H,45,48)/t27-, 31+,32-,35-,36+,37-,38-/m 0/s1; ZXUOAWXMXWTRGE-ZKQACQBYSA-N |
CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCCCNC 1=O)cc2)NC[CH](O)C[CH](Cc3ccccc3)C(=O)N[ CH]4[CH](O)Cc5ccccc45; CC[C@H](C)[C@H]1C (=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[ C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccc cc5C[C@H]4O)O; CC[C@H](C)[C@@H]1NC(=O)[C @H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[ C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5 ccccc45; O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3 )CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4) C5)C(C)CC; CCC(C)C1C(=O)NCCCCCOc2ccc(cc2 )CC(C(=O)N1)NCC(CC(Cc3ccccc3)C(=O)NC4c5c cccc5CC4O)O |
N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE; MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8 |
| 37199 | PI9 CHEMBL442738 ZINC000029399681 |
2 | C32 H48 N4 O6 S | InChI=1S/C32H48N4O6S/c1-2 2(2)17-18-36(43(40,41)27- 15-11-25(33)12-16-27)21-2 9(37)28-20-24-9-13-26(14- 10-24)42-19-7-5-6-8-30(38 )35-31(23(3)4)32(39)34-28 /h9-16,22-23,28-29,31,37H ,5-8,17-21,33H2,1-4H3,(H, 34,39)(H,35,38)/t28-,29+, 31-/m0/s1; FBNSKSOTNMECSA-FLBADVGZSA-N |
CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC (=O)N[C@@H](C(C)C)C(=O)N1)cc2)[S](=O)(=O )c3ccc(N)cc3; CC(C)CCN(C[CH](O)[CH]1Cc2c cc(OCCCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2)[S ](=O)(=O)c3ccc(N)cc3; CC(C)CC[N@@](C[C@H ]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C( =O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N; O=S( =O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C (NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C; CC(C)CC N(CC(C1Cc2ccc(cc2)OCCCCCC(=O)NC(C(=O)N1) C(C)C)O)S(=O)(=O)c3ccc(cc3)N |
(10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE |
| 37200 | PIA ZINC000006929402 |
0 | C14 H15 N3 O4 | InChI=1S/C14H15N3O4/c1-8( 15)13-16-11(14(21)17(13)7 -12(19)20)6-9-2-4-10(18)5 -3-9/h2-6,8,18H,7,15H2,1H 3,(H,19,20)/b11-6-/t8-/m0 /s1; UMPNJELZAAOGQG-OITNDJBGSA-N |
O=C1C(\N=C(N1CC(=O)O)C(N)C)=C\c2ccc(O)cc 2; CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O )N; C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1C C(O)=O; C[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C (=O)N1CC(O)=O; C[C@@H](C1=N/C(=C\c2ccc(c c2)O)/C(=O)N1CC(=O)O)N |
[(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |