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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 37401 | PNZ CHEMBL1235374 ZINC000001703646 |
10 | C7 H8 N2 O2 | InChI=1S/C7H8N2O2/c8-5-6- 1-3-7(4-2-6)9(10)11/h1-4H ,5,8H2; ODVBBZFQPGORMJ-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(cc1)CN; NCc1ccc(cc1)[N +]([O-])=O; c1cc(ccc1CN)[N+](=O)[O-] |
P-NITRO-BENZYLAMINE |
| 37402 | PO0 CHEMBL1191789 |
0 | C10 H15 N | InChI=1S/C10H15N/c1-2-10( 11)8-9-6-4-3-5-7-9/h3-7,1 0H,2,8,11H2,1H3/t10-/m1/s 1; IOLQWLOHKZENDW-SNVBAGLBSA-N |
CC[C@@H](N)Cc1ccccc1; CCC(Cc1ccccc1)N; C C[C@H](Cc1ccccc1)N; CC[CH](N)Cc1ccccc1; NC(Cc1ccccc1)CC |
1-BENZYL-(R)-PROPYLAMINE |
| 37403 | PO1 CHEMBL218382 DB08416 ZINC000003975451 |
2 | C19 H28 N2 O7 S2 | InChI=1S/C19H28N2O7S2/c1- 19-8-7-12-13(15(19)5-6-18 (19)28-30(21,24)25)4-3-11 -9-17(27-29(20,22)23)16(2 6-2)10-14(11)12/h9-10,12- 13,15,18H,3-8H2,1-2H3,(H2 ,20,22,23)(H2,21,24,25)/t 12-,13+,15-,18-,19-/m0/s1; AQSNIXKAKUZPSI-SSTWWWIQSA-N |
O=S(=O)(Oc1cc4c(cc1OC)C3CCC2(C(CCC2OS(=O )(=O)N)C3CC4)C)N; CC12CCC3c4cc(c(cc4CCC3 C1CCC2OS(=O)(=O)N)OS(=O)(=O)N)OC; COc1cc 2[CH]3CC[C]4(C)[CH](CC[CH]4[CH]3CCc2cc1O [S](N)(=O)=O)O[S](N)(=O)=O; C[C@]12CC[C@ @H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS (=O)(=O)N)OS(=O)(=O)N)OC; COc1cc2[C@H]3C C[C@]4(C)[C@H](CC[C@H]4[C@@H]3CCc2cc1O[S ](N)(=O)=O)O[S](N)(=O)=O |
(9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE |
| 37404 | PO2 DB04053 |
3 | O2 P | InChI=1S/HO2P/c1-3-2/h(H, 1,2)/p-1; GQZXNSPRSGFJLY-UHFFFAOYSA-M |
[O-]P=O | HYPOPHOSPHITE |
| 37405 | PO3 | 54 | O3 P | InChI=1S/O3P/c1-4(2)3/q-3; AQSJGOWTSHOLKH-UHFFFAOYSA-N |
[O-][P-]([O-])=O; [O-][PH2-]([O-])=O; [O -][P-](=O)[O-] |
PHOSPHITE ION |
| 37406 | PO4 DB14523 |
3760 | O4 P | InChI=1S/H3O4P/c1-5(2,3)4 /h(H3,1,2,3,4)/p-3; NBIIXXVUZAFLBC-UHFFFAOYSA-K |
[O-][P]([O-])([O-])=O; [O-]P([O-])([O-]) =O; [O-]P(=O)([O-])[O-] |
PHOSPHATE ION |
| 37407 | PO5 ZINC000034285242 |
1 | C25 H30 N8 O3 | InChI=1S/C25H30N8O3/c1-31 (2)16-19(34)17-36-20-5-3- 18(4-6-20)28-25-26-10-9-2 2(29-25)21-15-27-33-23(21 )7-8-24(30-33)32-11-13-35 -14-12-32/h3-10,15,19,34H ,11-14,16-17H2,1-2H3,(H,2 6,28,29)/t19-/m0/s1; GBRORGYPYNNDGL-IBGZPJMESA-N |
CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)c3cnn4c3c cc(n4)N5CCOCC5)O; CN(C)C[C@@H](COc1ccc(c c1)Nc2nccc(n2)c3cnn4c3ccc(n4)N5CCOCC5)O; CN(C)C[C@H](O)COc1ccc(Nc2nccc(n2)c3cnn4 nc(ccc34)N5CCOCC5)cc1; CN(C)C[CH](O)COc1 ccc(Nc2nccc(n2)c3cnn4nc(ccc34)N5CCOCC5)c c1; n4n3ncc(c1nc(ncc1)Nc2ccc(OCC(O)CN(C) C)cc2)c3ccc4N5CCOCC5 |
(2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol |
| 37408 | PO6 CHEMBL1717544 ZINC000000123519 |
6 | C8 H9 N O2 | InChI=1S/C8H9NO2/c9-8(10) 6-11-7-4-2-1-3-5-7/h1-5H, 6H2,(H2,9,10); AOPRXJXHLWYPQR-UHFFFAOYSA-N |
c1ccc(cc1)OCC(=O)N; NC(=O)COc1ccccc1; O= C(N)COc1ccccc1 |
2-phenoxyacetamide |
| 37409 | PO7 CHEMBL2024544 |
2 | C19 H18 F2 N4 O2 | InChI=1S/C19H18F2N4O2/c1- 19(2,3)16-13(22-9-23-16)8 -15-18(27)24-14(17(26)25- 15)7-10-6-11(20)4-5-12(10 )21/h4-9H,1-3H3,(H,22,23) (H,24,27)(H,25,26)/b14-7? ,15-8-; YRMXYQDFDXFFPU-QEJIEUBGSA-N |
CC(C)(C)c1c([nH]cn1)/C=C\2/C(=O)NC(=Cc3c c(ccc3F)F)C(=O)N2; CC(C)(C)c1c([nH]cn1)C =C2C(=O)NC(=Cc3cc(ccc3F)F)C(=O)N2; CC(C) (C)c1nc[nH]c1C=C2NC(=O)C(NC2=O)=Cc3cc(F) ccc3F; CC(C)(C)c1nc[nH]c1\C=C2/NC(=O)\C( NC2=O)=C\c3cc(F)ccc3F |
(6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione |
| 37410 | PO8 | 3 | C7 H16 N O5 | InChI=1S/C7H15NO5/c8-3-2( 1-9)4(10)6(12)7(13)5(3)11 /h2-7,9-13H,1,8H2/p+1/t2- ,3+,4+,5-,6-,7-/m0/s1; SWVTZDDSAFUTKS-ARYBSUEZSA-O |
[NH3+][CH]1[CH](O)[CH](O)[CH](O)[CH](O)[ CH]1CO; [NH3+][C@H]1[C@H](O)[C@H](O)[C@@ H](O)[C@H](O)[C@H]1CO; C([C@H]1[C@H]([C@ @H]([C@@H]([C@H]([C@@H]1O)O)O)O)[NH3+])O ; C(C1C(C(C(C(C1O)O)O)O)[NH3+])O |
(1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| 37411 | PO9 ZINC000085590680 |
2 | C40 H78 O13 P2 | InChI=1S/C40H78O13P2/c1-3 -5-7-9-11-13-15-17-18-20- 21-23-25-27-29-31-39(42)4 9-35-38(36-52-55(47,48)51 -34-37(41)33-50-54(44,45) 46)53-40(43)32-30-28-26-2 4-22-19-16-14-12-10-8-6-4 -2/h17-18,37-38,41H,3-16, 19-36H2,1-2H3,(H,47,48)(H 2,44,45,46)/b18-17-/t37-, 38+/m0/s1; WQMDYQSTTXRXLQ-HGWHEPCSSA-N |
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC C/C=C\CCCCCCCC)COP(=O)(O)OC[C@H](COP(=O) (O)O)O; CCCCCCCCCCCCCCCC(=O)O[C@H](COC(= O)CCCCCCC\C=C/CCCCCCCC)CO[P](O)(=O)OC[C@ @H](O)CO[P](O)(O)=O; CCCCCCCCCCCCCCCC(=O )OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O) OCC(COP(=O)(O)O)O; CCCCCCCCCCCCCCCC(=O)O [CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)( =O)OC[CH](O)CO[P](O)(O)=O |
[(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate |
| 37412 | POA DB03174 |
20 | C2 H5 O4 P | InChI=1S/C2H5O4P/c3-1-2-7 (4,5)6/h1H,2H2,(H2,4,5,6); YEMKIGUKNDOZEG-UHFFFAOYSA-N |
O[P](O)(=O)CC=O; C(C=O)P(=O)(O)O; O=CCP( =O)(O)O |
PHOSPHONOACETALDEHYDE |
| 37413 | POB ZINC000003581150 |
1 | C6 H15 N O8 P2 | InChI=1S/C6H15NO8P2/c1-3- 5(6(8)9)14-16(10,4(2)7)15 -17(11,12)13/h4-5H,3,7H2, 1-2H3,(H,8,9)(H2,11,12,13 )/t4-,5+,16+/m0/s1; LSPLWPXJPPQFJE-RJPXELBVSA-N |
CC[C@@H](O[P@@](=O)(O[P](O)(O)=O)[C@@H]( C)N)C(O)=O; O=P(O)(OP(=O)(OC(C(=O)O)CC)C (N)C)O; CC[C@H](C(=O)O)O[P@](=O)([C@@H]( C)N)OP(=O)(O)O; CC[CH](O[P](=O)(O[P](O)( O)=O)[CH](C)N)C(O)=O; CCC(C(=O)O)OP(=O)( C(C)N)OP(=O)(O)O |
2-[(1-AMINO-ETHYL)-PHOSPHATE-PHOSPHINOYLOXY]-BUTYRIC ACID |
| 37414 | POC CHEMBL1235161 DB03945 |
0 | C5 H15 N O4 P | InChI=1/C5H14NO4P/c1-6(2, 3)4-5-10-11(7,8)9/h4-5H2, 1-3H3,(H-,7,8,9)/p+1/fC5H 15NO4P/h7-8H/q+1; YHHSONZFOIEMCP-JDXNDFPICG |
O=P(O)(O)OCC[N+](C)(C)C; C[N+](C)(C)CCO[ P](O)(O)=O; C[N+](C)(C)CCOP(=O)(O)O |
PHOSPHOCHOLINE |
| 37415 | POD CHEMBL61 DB01179 ZINC000003861806 |
2 | C22 H22 O8 | InChI=1S/C22H22O8/c1-25-1 6-4-10(5-17(26-2)21(16)27 -3)18-11-6-14-15(30-9-29- 14)7-12(11)20(23)13-8-28- 22(24)19(13)18/h4-7,13,18 -20,23H,8-9H2,1-3H3/t13-, 18+,19-,20-/m0/s1; YJGVMLPVUAXIQN-XVVDYKMHSA-N |
COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O )OC5)O)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH] 3[CH](COC3=O)[CH](O)c4cc5OCOc5cc24; O=C4 OCC5C(O)c2cc1OCOc1cc2C(c3cc(OC)c(OC)c(OC )c3)C45; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c (cc3[C@@H]([C@@H]5C2C(=O)OC5)O)OCO4; COc 1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O )[C@@H](O)c4cc5OCOc5cc24 |
9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE; PODOPHYLLOTOXIN |
| 37416 | POF CHEMBL1235380 DB08418 ZINC000003988972 |
1 | C24 H27 N3 O5 S | InChI=1S/C24H27N3O5S/c1-2 4-9-8-19-18-7-5-17(32-33( 25,30)31)11-16(18)4-6-20( 19)21(24)12-22(28)27(23(2 4)29)14-15-3-2-10-26-13-1 5/h2-3,5,7,10-11,13,19-21 H,4,6,8-9,12,14H2,1H3,(H2 ,25,30,31)/t19-,20-,21+,2 4+/m1/s1; LSJKARAMQNGZDF-YOEKFXIASA-N |
CC12CCC3c4ccc(cc4CCC3C1CC(=O)N(C2=O)Cc5c ccnc5)OS(=O)(=O)N; C[C]12CC[CH]3[CH](CCc 4cc(O[S](N)(=O)=O)ccc34)[CH]1CC(=O)N(Cc5 cccnc5)C2=O; C[C@]12CC[C@H]3[C@@H](CCc4c c(O[S](N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc5 cccnc5)C2=O; O=S(=O)(Oc1cc3c(cc1)C2CCC4( C(=O)N(C(=O)CC4C2CC3)Cc5cccnc5)C)N; C[C@ ]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(= O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N |
(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate |
| 37417 | POG | 28 | C21 H44 O8 | InChI=1S/C21H44O8/c1-15(2 3)9-24-17(3)11-26-19(5)13 -28-21(7)14-29-20(6)12-27 -18(4)10-25-16(2)8-22/h15 -23H,8-14H2,1-7H3/t15-,16 ?,17?,18?,19?,20?,21?/m1/ s1; OWRNLGZKEZSHGO-QAWAPDBNSA-N |
C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H] (C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O; C[ C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)CO C(C)CO; CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OC C(C)OCC(C)O; O(CC(O)C)C(COC(C)COC(C)COC( C)COC(C)COC(C)CO)C; C[CH](O)COC(C)COC(C) COC(C)COC(C)COC(C)COC(C)CO |
(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL; POLYPROPYLENE GLYCOL; HEPTAPROPYLENE GLYCOL |
| 37418 | POH CHEMBL65606 |
0 | C44 H38 N8 | InChI=1S/C44H37N8/c1-49-2 1-13-29(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)28-2 0-32)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,(H,45,46,47,48)/q+3 /p+1/b41-33-,41-34-,42-35 -,42-37-,43-36-,43-38-,44 -39-,44-40-; ABCGFHPGHXSVKI-LWQDQPMZSA-O |
C[n+]1ccc(cc1)/c/2c\3/nc(/c(c/4\[nH]/c(c (\c5n/c(c(\c6[nH]c2cc6)/c7cc[n+](cc7)C)/ C=C5)/c8cc[n+](cc8)C)/cc4)/c9cc[n+](cc9) C)C=C3; n5c6c(c1nc(cc1)c(c2cc[n+](cc2)C) c3nc(C=C3)c(c4cc[n+](cc4)C)c8ccc(c(c5C=C 6)c7cc[n+](cc7)C)n8)c9cc[n+](cc9)C; C[n+ ]1ccc(cc1)c2c3ccc([nH]3)c(c4nc(c(c5ccc([ nH]5)c(c6nc2C=C6)c7cc[n+](cc7)C)c8cc[n+] (cc8)C)C=C4)c9cc[n+](cc9)C; C[n+]1ccc(cc 1)c2c3[nH]c(cc3)c(c4cc[n+](C)cc4)c5ccc(n 5)c(c6[nH]c(cc6)c(c7cc[n+](C)cc7)c8ccc2n 8)c9cc[n+](C)cc9 |
(1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin; TMPyP4 |
| 37419 | POI ZINC000016051622 |
4 | C15 H24 N3 O8 P | InChI=1S/C15H24N3O8P/c1-9 -14(20)12(11(6-17-9)8-26- 27(23,24)25)7-16-5-3-4-13 (15(21)22)18-10(2)19/h6,1 3,16,20H,3-5,7-8H2,1-2H3, (H,18,19)(H,21,22)(H2,23, 24,25)/t13-/m0/s1; QIZZUQLTAZUUFQ-ZDUSSCGKSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNCCCC(C(=O)O)N C(=O)C)O; Cc1c(c(c(cn1)COP(=O)(O)O)CNCCC [C@@H](C(=O)O)NC(=O)C)O; CC(=O)N[CH](CCC NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O; O= C(O)C(NC(=O)C)CCCNCc1c(cnc(c1O)C)COP(=O) (O)O; CC(=O)N[C@@H](CCCNCc1c(O)c(C)ncc1C O[P](O)(O)=O)C(O)=O |
N~2~-ACETYL-N~5~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-ORNITHINE |
| 37420 | POJ CHEMBL5090401 |
1 | C23 H27 F3 N4 O4 S | InChI=1S/C23H27F3N4O4S/c2 4-23(25,26)17-3-5-18(6-4- 17)27-22(31)28-19-7-9-21( 10-8-19)35(32,33)30-11-1- 2-20(30)16-29-12-14-34-15 -13-29/h3-10,20H,1-2,11-1 6H2,(H2,27,28,31)/t20-/m0 /s1; ZPMULUKHFNMJPF-FQEVSTJZSA-N |
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)[S](=O)(= O)N3CCC[C@H]3CN4CCOCC4)cc1; c1cc(ccc1C(F )(F)F)NC(=O)Nc2ccc(cc2)S(=O)(=O)N3CCCC3C N4CCOCC4; FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2 )[S](=O)(=O)N3CCC[CH]3CN4CCOCC4)cc1; c2( ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CC CC4CN3CCOCC3)(=O)=O; c1cc(ccc1C(F)(F)F)N C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCC[C@H]3CN4C COCC4 |
N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea |
| 37421 | POK | 0 | C8 H16 N4 O4 | InChI=1S/C8H16N4O4/c9-5(7 (15)16)2-1-3-11-8(10)12-4 -6(13)14/h5H,1-4,9H2,(H,1 3,14)(H,15,16)(H3,10,11,1 2)/t5-/m0/s1; AZYVWHCRKHJLRB-YFKPBYRVSA-N |
[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCC(=O)O; N[CH](CCCNC(=N)NCC(O)=O)C(O)=O; N[C@@H]( CCCNC(=N)NCC(O)=O)C(O)=O; C(CC(C(=O)O)N) CNC(=N)NCC(=O)O |
2-[[~{N}-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethanoic acid |
| 37422 | POL CHEMBL14687 DB03175 ZINC000000895969 |
85 | C3 H8 O | InChI=1S/C3H8O/c1-2-3-4/h 4H,2-3H2,1H3; BDERNNFJNOPAEC-UHFFFAOYSA-N |
CCCO; OCCC | N-PROPANOL; 1-PROPONOL |
| 37423 | POM | 0 | C6 H9 N O3 | InChI=1S/C6H9NO3/c1-3-5(8 )2-4(7-3)6(9)10/h3-4,7H,2 H2,1H3,(H,9,10)/t3-,4-/m0 /s1; QQBMOLVYWYXMIA-IMJSIDKUSA-N |
CC1C(=O)CC(N1)C(=O)O; O=C1C(NC(C(=O)O)C1 )C; C[C@H]1C(=O)C[C@H](N1)C(=O)O; C[CH]1 N[CH](CC1=O)C(O)=O; C[C@@H]1N[C@@H](CC1= O)C(O)=O |
CIS-5-METHYL-4-OXOPROLINE |
| 37424 | PON | 2 | H3 N O6 P2 | InChI=1S/H4NO6P2/c1-8(2,3 )7-9(4,5)6/h(H4-,1,2,3,4, 5,6)/q-1/p-1; VYBCVOULKDXKCH-UHFFFAOYSA-M |
N=[P@@](O)([O-])O[P@](=O)(O)[O-]; O[P@@] ([O-])(=N)O[P](O)([O-])=O; N=P(O)([O-])O P(=O)(O)[O-]; O[P]([O-])(=N)O[P](O)([O-] )=O |
IMIDO DIPHOSPHATE |
| 37425 | POO ZINC000013646579 |
1 | C31 H39 N3 O3 | InChI=1S/C31H39N3O3/c1-32 -17-9-10-22(19-32)20-33(2 )28(35)21-34-27-18-25(31( 36)37)15-16-26(27)29(23-1 1-5-3-6-12-23)30(34)24-13 -7-4-8-14-24/h4,7-8,13-16 ,18,22-23H,3,5-6,9-12,17, 19-21H2,1-2H3,(H,36,37)/t 22-/m1/s1; AWVLDLUQVKNAMT-JOCHJYFZSA-N |
C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3 c(c2c4ccccc4)C5CCCCC5)C(=O)O; CN1CCC[C@H ](C1)CN(C)C(=O)Cn2c3cc(ccc3c(C4CCCCC4)c2 c5ccccc5)C(O)=O; CN1CCC[CH](C1)CN(C)C(=O )Cn2c3cc(ccc3c(C4CCCCC4)c2c5ccccc5)C(O)= O; O=C(O)c1ccc3c(c1)n(c(c2ccccc2)c3C4CCC CC4)CC(=O)N(CC5CCCN(C)C5)C; CN1CCCC(C1)C N(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCC C5)C(=O)O |
3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-3-YL)METHYL]AMINO}-2-OXOETHYL)-2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID |
| 37426 | POP | 767 | H2 O7 P2 | InChI=1S/H4O7P2/c1-8(2,3) 7-9(4,5)6/h(H2,1,2,3)(H2, 4,5,6)/p-2; XPPKVPWEQAFLFU-UHFFFAOYSA-L |
O[P@@](=O)([O-])O[P@@](=O)(O)[O-]; O[P]( [O-])(=O)O[P](O)([O-])=O; [O-]P(=O)(O)OP ([O-])(=O)O; OP(=O)([O-])OP(=O)(O)[O-] |
PYROPHOSPHATE 2- |
| 37427 | POQ | 0 | C16 H33 O20 P3 | InChI=1S/C16H33O20P3/c1-3 -29-38(25,26)35-13-11(19) 9(17)7(33-15(13)21)5-31-3 7(23,24)32-6-8-10(18)12(2 0)14(16(22)34-8)36-39(27, 28)30-4-2/h7-22H,3-6H2,1- 2H3,(H,23,24)(H,25,26)(H, 27,28)/t7-,8?,9-,10-,11+, 12+,13-,14-,15-,16-/m1/s1; QTCHWELPTUAUQX-ASCZGESISA-N |
CCOP(=O)(O)OC1C(C(C(OC1O)COP(=O)(O)OCC2C (C(C(C(O2)O)OP(=O)(O)OCC)O)O)O)O; O=P(O) (OCC)OC1C(O)C(O)C(OC1O)COP(=O)(O)OCC2OC( O)C(OP(=O)(O)OCC)C(O)C2O; CCO[P](O)(=O)O [CH]1[CH](O)O[CH](CO[P](O)(=O)OC[CH]2O[C H](O)[CH](O[P](O)(=O)OCC)[CH](O)[CH]2O)[ CH](O)[CH]1O; CCO[P@](O)(=O)O[C@H]1[C@H] (O)O[C@@H](CO[P@@](O)(=O)OC[C@H]2O[C@@H] (O)[C@H](O[P@](O)(=O)OCC)[C@@H](O)[C@@H] 2O)[C@@H](O)[C@@H]1O; CCO[P@@](=O)(O)O[C @@H]1[C@H]([C@@H](C(O[C@H]1O)COP(=O)(O)O CC2[C@H]([C@@H]([C@H]([C@@H](O2)O)O[P@@] (=O)(O)OCC)O)O)O)O |
BIS(((3S,4S,5R,6R)-5-(ETHYL(PHOSPHORYLOXY))-3,4,6-TRIHYDROXY-TETRAHYDRO-2H-PYRAN-2-YL)METHYL) HYDROGEN PHOSPHATE |
| 37428 | POR | 1 | C20 H12 Fe N4 | InChI=1S/C20H12N4.Fe/c1-2 -14-10-16-5-6-18(23-16)12 -20-8-7-19(24-20)11-17-4- 3-15(22-17)9-13(1)21-14;/ h1-12H;/q-2;+2/b13-9-,14- 10-,15-9-,16-10-,17-11-,1 8-12-,19-11-,20-12-;; XVFTZEQSXCJEIQ-QDJBTJTOSA-N |
c1cc2n3c1C=C4C=CC5=[N]4[Fe]36[N]7=C(C=CC 7=C2)C=C8N6C(=C5)C=C8; [Fe]1n2c3ccc2C=C4 C=CC(=N4)C=C5C=CC(=CC6=NC(=C3)C=C6)N15 |
PORPHYRIN FE(III) |
| 37429 | POS ZINC000003870503 |
1 | C27 H32 N4 O6 S | InChI=1S/C27H32N4O6S/c1-1 9(2)16-25(31-26(33)20-12- 14-28-15-13-20)27(34)29-1 7-21(32)18-30-38(35,36)24 -10-8-23(9-11-24)37-22-6- 4-3-5-7-22/h3-15,19,21,25 ,30,32H,16-18H2,1-2H3,(H, 29,34)(H,31,33)/t21-,25+/ m1/s1; RNXGMLBGKGGGPZ-BWKNWUBXSA-N |
CC(C)C[CH](NC(=O)c1ccncc1)C(=O)NC[CH](O) CN[S](=O)(=O)c2ccc(Oc3ccccc3)cc2; O=C(NC (C(=O)NCC(O)CNS(=O)(=O)c2ccc(Oc1ccccc1)c c2)CC(C)C)c3ccncc3; CC(C)C[C@H](NC(=O)c1 ccncc1)C(=O)NC[C@@H](O)CN[S](=O)(=O)c2cc c(Oc3ccccc3)cc2; CC(C)CC(C(=O)NCC(CNS(=O )(=O)c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc 3; CC(C)C[C@@H](C(=O)NC[C@H](CNS(=O)(=O) c1ccc(cc1)Oc2ccccc2)O)NC(=O)c3ccncc3 |
1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-3-[[N/N-(4-PYRIDINYLCARBONYL)-L-LEUCYL]AMINO]-2-PROPANOL |
| 37430 | POT DB08419 |
1 | C11 H16 Cl O3 P | InChI=1S/C11H16ClO3P/c1-3 -10(15-16(2,12)13)9-14-11 -7-5-4-6-8-11/h4-8,10H,3, 9H2,1-2H3/t10-,16+/m0/s1; YEIXDWIEYXZUBR-MGPLVRAMSA-N |
CCC(COc1ccccc1)OP(=O)(C)Cl; CC[C@@H](COc 1ccccc1)O[P@](=O)(C)Cl; CC[C@@H](COc1ccc cc1)O[P@](C)(Cl)=O; CC[CH](COc1ccccc1)O[ P](C)(Cl)=O; ClP(=O)(OC(COc1ccccc1)CC)C |
(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE; (RP,SP)-O-(2S)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE |
| 37431 | POU CHEMBL4218957 ZINC000098209315 |
8 | C27 H48 O11 | InChI=1S/C27H48O11/c1-8-1 6(14-28)9-15(2)19-10-17(3 4-5)13-22(29)26(3,4)27(33 )24(31)21(36-7)12-18(38-2 7)11-20(35-6)23(30)25(32) 37-19/h9,16-24,28-31,33H, 8,10-14H2,1-7H3/b15-9-/t1 6-,17-,18+,19+,20-,21-,22 +,23+,24-,27+/m1/s1; NETARJWZTMGMRM-QOXVJYTGSA-N |
CC[CH](CO)C=C(C)[CH]1C[CH](C[CH](O)C(C)( C)[C]2(O)O[CH](C[CH](OC)[CH](O)C(=O)O1)C [CH](OC)[CH]2O)OC; CC[C@@H](CO)/C=C(/C)\ [C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C @@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O) OC)OC)O)O)(C)C)O)OC; CCC(CO)C=C(C)C1CC(C C(C(C2(C(C(CC(O2)CC(C(C(=O)O1)O)OC)OC)O) O)(C)C)O)OC; CC[C@@H](CO)\C=C(\C)[C@@H]1 C[C@H](C[C@H](O)C(C)(C)[C@@]2(O)O[C@@H]( C[C@@H](OC)[C@H](O)C(=O)O1)C[C@@H](OC)[C @H]2O)OC; O=C1OC(C(=C/C(CC)CO)\C)CC(OC)C C(O)C(C)(C)C2(O)OC(CC(OC)C1O)CC(OC)C2O |
Peloruside A; (1R,3R,4S,7S,9S,11S,13R,14R,15R)-4,11,13,14-tetrahydroxy-7-[(2Z,4R)-4-(hydroxymethyl)hex-2-en-2-yl]-3,9,15-trimethoxy-12,12-dimethyl-6,17-dioxabicyclo[11.3.1]heptadecan-5-one |
| 37432 | POV | 0 | C42 H82 N O8 P | InChI=1S/C42H82NO8P/c1-6- 8-10-12-14-16-18-20-21-23 -25-27-29-31-33-35-42(45) 51-40(39-50-52(46,47)49-3 7-36-43(3,4)5)38-48-41(44 )34-32-30-28-26-24-22-19- 17-15-13-11-9-7-2/h20-21, 40H,6-19,22-39H2,1-5H3/b2 1-20-/t40-/m0/s1; WTJKGGKOPKCXLL-PFDVCBLKSA-N |
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P]([O-])(= O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCC CCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@] (=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C =C\CCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH]( CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC CCCC=CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCC\C= C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)C CCCCCCCCCCCCCC |
(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate; POPC |
| 37433 | POW ZINC000004213008 |
1 | C22 H27 N3 O4 | InChI=1S/C22H27N3O4/c26-2 1(23-18-10-4-1-5-11-18)28 -17-20(16-25-14-8-3-9-15- 25)29-22(27)24-19-12-6-2- 7-13-19/h1-2,4-7,10-13,20 H,3,8-9,14-17H2,(H,23,26) (H,24,27)/t20-/m1/s1; YUGZHQHSNYIFLG-HXUWFJFHSA-N |
c1ccc(cc1)NC(=O)OC[C@@H](CN2CCCCC2)OC(=O )Nc3ccccc3; c1ccc(cc1)NC(=O)OCC(CN2CCCCC 2)OC(=O)Nc3ccccc3; O=C(Nc1ccccc1)OC[CH]( CN2CCCCC2)OC(=O)Nc3ccccc3; O=C(Nc1ccccc1 )OC[C@@H](CN2CCCCC2)OC(=O)Nc3ccccc3 |
Diperodon; [(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate |
| 37434 | POX CHEMBL255237 ZINC000016052679 |
1 | C22 H22 F N7 O2 | InChI=1S/C22H22FN7O2/c1-3 1-7-8-32-28-12-19-21(24)2 5-14-26-22(19)29-18-5-6-2 0-16(10-18)11-27-30(20)13 -15-3-2-4-17(23)9-15/h2-6 ,9-12,14H,7-8,13H2,1H3,(H 3,24,25,26,29)/b28-12+; KSGYKTRNRCPDHT-KVSWJAHQSA-N |
Fc1cccc(c1)Cn3ncc2cc(ccc23)Nc4ncnc(N)c4\ C=N\OCCOC; COCCO/N=C/c1c(N)ncnc1Nc2ccc3n (Cc4cccc(F)c4)ncc3c2; COCCON=Cc1c(ncnc1N c2ccc3c(c2)cnn3Cc4cccc(c4)F)N; COCCO/N=C /c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N ; COCCON=Cc1c(N)ncnc1Nc2ccc3n(Cc4cccc(F) c4)ncc3c2 |
4-amino-6-{[1-(3-fluorobenzyl)-1H-indazol-5-yl]amino}pyrimidine-5-carbaldehyde O-(2-methoxyethyl)oxime |
| 37435 | POY CHEMBL1079905 DB06479 ZINC000001915505 |
5 | C15 H22 N4 O3 | InChI=1S/C15H22N4O3/c1-4- 8-18-10-16-13-12(18)14(21 )19(15(22)17(13)3)9-6-5-7 -11(2)20/h10H,4-9H2,1-3H3; RBQOQRRFDPXAGN-UHFFFAOYSA-N |
CCCn1cnc2c1C(=O)N(C(=O)N2C)CCCCC(=O)C; C CCn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12; O=C2c1n(cnc1N(C(=O)N2CCCCC(=O)C)C)CCC |
3-methyl-1-(5-oxohexyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione; Propentofylline |
| 37436 | POZ ZINC000058632326 |
1 | C37 H42 F2 N8 O4 | InChI=1S/C37H42F2N8O4/c1- 3-35(26(2)48)47-36(49)46( 25-42-47)30-7-5-28(6-8-30 )43-16-18-44(19-17-43)29- 9-11-31(12-10-29)50-21-32 -14-15-37(51-32,22-45-24- 40-23-41-45)33-13-4-27(38 )20-34(33)39/h4-13,20,23- 26,32,35,48H,3,14-19,21-2 2H2,1-2H3/t26-,32-,35-,37 +/m0/s1; IEAWASLYDSYMSP-OLBKAPGZSA-N |
CC[CH]([CH](C)O)N1N=CN(C1=O)c2ccc(cc2)N3 CCN(CC3)c4ccc(OC[CH]5CC[C](Cn6cncn6)(O5) c7ccc(F)cc7F)cc4; CC[C@@H]([C@H](C)O)N1N =CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@ @H]5CC[C@](Cn6cncn6)(O5)c7ccc(F)cc7F)cc4 ; CCC(C(C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CC N(CC3)c4ccc(cc4)OCC5CCC(O5)(Cn6cncn6)c7c cc(cc7F)F; O=C1N(N=CN1c2ccc(cc2)N7CCN(c6 ccc(OCC4OC(c3ccc(F)cc3F)(CC4)Cn5ncnc5)cc 6)CC7)C(CC)C(O)C; CC[C@@H]([C@H](C)O)N1C (=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4 )OC[C@@H]5CC[C@@](O5)(Cn6cncn6)c7ccc(cc7 F)F |
|
| 37437 | PP0 ZINC000020861097 |
1 | C23 H31 N3 O3 | InChI=1S/C23H31N3O3/c1-5- 26-18(4)20(17(3)21(26)23( 28)29-6-2)22(27)25-14-12- 24(13-15-25)16-19-10-8-7- 9-11-19/h7-11H,5-6,12-16H 2,1-4H3; BEPDKTMMVYTHND-UHFFFAOYSA-N |
CCOC(=O)c1n(CC)c(C)c(c1C)C(=O)N2CCN(CC2) Cc3ccccc3; O=C(OCC)c1c(c(c(n1CC)C)C(=O)N 3CCN(Cc2ccccc2)CC3)C; CCn1c(c(c(c1C(=O)O CC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C |
ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| 37438 | PP1 CHEMBL306380 DB01809 ZINC000002047275 |
10 | C16 H19 N5 | InChI=1S/C16H19N5/c1-10-5 -7-11(8-6-10)13-12-14(17) 18-9-19-15(12)21(20-13)16 (2,3)4/h5-9H,1-4H3,(H2,17 ,18,19); ZVPDNRVYHLRXLX-UHFFFAOYSA-N |
Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N; C c1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C; n1 c(c2c(nc1)n(nc2c3ccc(cc3)C)C(C)(C)C)N |
1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE |
| 37439 | PP2 DB03023 |
13 | C15 H17 Cl N5 | InChI=1S/C15H16ClN5/c1-15 (2,3)21-14-11(13(17)18-8- 19-14)12(20-21)9-4-6-10(1 6)7-5-9/h4-8H,1-3H3,(H2,1 7,18,19)/p+1; PBBRWFOVCUAONR-UHFFFAOYSA-O |
Clc3ccc(c1[nH+]n(c2ncnc(c12)N)C(C)(C)C)c c3; CC(C)(C)n1[nH+]c(c2ccc(Cl)cc2)c3c(N) ncnc13; CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3 )Cl)c(ncn2)N |
1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE |
| 37440 | PP3 DB04467 ZINC000002046812 |
19 | 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 |
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 |
ALANYL-PYRIDOXAL-5'-PHOSPHATE; PYRIDOXYL-ALANINE-5-PHOSPHATE; VITAMIN B6 COMPLEXED WITH ALANINE |
| 37441 | PP4 | 1 | C28 H32 N2 O7 P | InChI=1S/C28H33N2O7P/c1-1 9(2)26(29-18-31)27(32)30- 25(17-21-13-14-22-11-7-8- 12-23(22)15-21)38(34,35)3 7-24(28(33)36-3)16-20-9-5 -4-6-10-20/h4-15,18-19,24 -26H,16-17H2,1-3H3,(H,29, 31)(H,30,32)(H,34,35)/p-1 /t24-,25+,26-/m0/s1; SBIPQEWAZQAMRY-NXCFDTQHSA-M |
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1 )[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)O C)NC=O; COC(=O)[C@H](Cc1ccccc1)O[P]([O-] )(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]( NC=O)C(C)C; COC(=O)[CH](Cc1ccccc1)O[P]([ O-])(=O)[CH](Cc2ccc3ccccc3c2)NC(=O)[CH]( NC=O)C(C)C; O=CNC(C(=O)NC(Cc2cc1ccccc1cc 2)P([O-])(=O)OC(C(=O)OC)Cc3ccccc3)C(C)C; CC(C)C(C(=O)NC(Cc1ccc2ccccc2c1)P(=O)([O -])OC(Cc3ccccc3)C(=O)OC)NC=O |
METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO-2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE |
| 37442 | PP5 | 1 | C28 H32 N2 O7 P | InChI=1S/C28H33N2O7P/c1-1 9(2)26(30-25(31)17-22-14- 9-13-21-12-7-8-15-23(21)2 2)27(32)29-18-38(34,35)37 -24(28(33)36-3)16-20-10-5 -4-6-11-20/h4-15,19,24,26 H,16-18H2,1-3H3,(H,29,32) (H,30,31)(H,34,35)/p-1/t2 4-,26-/m0/s1; AYDPZCGMCQBSDG-AHWVRZQESA-M |
COC(=O)[C@H](Cc1ccccc1)O[P]([O-])(=O)CNC (=O)[C@@H](NC(=O)Cc2cccc3ccccc23)C(C)C; O=C(NC(C(=O)NCP([O-])(=O)OC(C(=O)OC)Cc1c cccc1)C(C)C)Cc3c2ccccc2ccc3; CC(C)C(C(=O )NCP(=O)([O-])OC(Cc1ccccc1)C(=O)OC)NC(=O )Cc2cccc3c2cccc3; CC(C)[C@@H](C(=O)NC[P@ ](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC( =O)Cc2cccc3c2cccc3; COC(=O)[CH](Cc1ccccc 1)O[P]([O-])(=O)CNC(=O)[CH](NC(=O)Cc2ccc c3ccccc23)C(C)C |
METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))-L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]-3-PHENYL PROPANOATE |
| 37443 | PP6 | 2 | C29 H32 N2 O7 P | InChI=1S/C29H33N2O7P/c1-1 8(2)27-28(33)31-26(39(35, 36)38-24(29(34)37-3)15-19 -8-5-4-6-9-19)16-20-12-13 -21-10-7-11-22(23(21)14-2 0)17-25(32)30-27/h4-14,18 ,24,26-27H,15-17H2,1-3H3, (H,30,32)(H,31,33)(H,35,3 6)/p-1/t24-,26+,27-/m0/s1; BJANYCOFDSBOJK-OIKPOIBNSA-M |
CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2 )CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4cccc c4)C(=O)OC; O=C(OC)C(OP([O-])(=O)C3NC(=O )C(NC(=O)Cc1c2c(ccc1)ccc(c2)C3)C(C)C)Cc4 ccccc4; CC(C)C1C(=O)NC(Cc2ccc3cccc(c3c2) CC(=O)N1)P(=O)([O-])OC(Cc4ccccc4)C(=O)OC ; COC(=O)[CH](Cc1ccccc1)O[P]([O-])(=O)[C H]2Cc3ccc4cccc(CC(=O)N[CH](C(C)C)C(=O)N2 )c4c3; COC(=O)[C@H](Cc1ccccc1)O[P]([O-]) (=O)[C@@H]2Cc3ccc4cccc(CC(=O)N[C@@H](C(C )C)C(=O)N2)c4c3 |
METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)-2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL-2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]-1-NAPHTHALENEACETAMIDE] |
| 37444 | PP7 CHEMBL541675 ZINC000026501085 |
1 | C30 H47 N4 O9 P | InChI=1S/C30H47N4O9P/c1-1 7(2)11-25(36)33-27(19(5)6 )29(38)32-22-15-24(35)31- 16-21-10-8-9-20(13-21)14- 23(30(39)42-7)43-44(40,41 )26(12-18(3)4)34-28(22)37 /h8-10,13,17-19,22-23,26- 27H,11-12,14-16H2,1-7H3,( H,31,35)(H,32,38)(H,33,36 )(H,34,37)(H,40,41)/t22-, 23-,26+,27-/m0/s1; BOYAGOIPWLIWCX-IDJLGEMNSA-N |
COC(=O)[CH]1Cc2cccc(CNC(=O)C[CH](NC(=O)[ CH](NC(=O)CC(C)C)C(C)C)C(=O)N[CH](CC(C)C )[P](O)(=O)O1)c2; CC(C)CC1NC(=O)C(CC(=O) NCc2cccc(c2)CC(OP1(=O)O)C(=O)OC)NC(=O)C( C(C)C)NC(=O)CC(C)C; COC(=O)[C@@H]1Cc2ccc c(CNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)CC(C) C)C(C)C)C(=O)N[C@@H](CC(C)C)[P@](O)(=O)O 1)c2; CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc 2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(= O)[C@H](C(C)C)NC(=O)CC(C)C; O=C(NC(C(=O) NC2C(=O)NC(CC(C)C)P(=O)(O)OC(C(=O)OC)Cc1 cc(ccc1)CNC(=O)C2)C(C)C)CC(C)C |
METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE |
| 37445 | PP8 CHEMBL557341 ZINC000015297976 |
1 | C29 H47 N4 O9 P | InChI=1S/C29H47N4O9P/c1-1 7(2)13-24(35)32-26(19(5)6 )28(37)31-21(16-23(30)34) 27(36)33-25(14-18(3)4)43( 39,40)42-22(29(38)41-7)15 -20-11-9-8-10-12-20/h8-12 ,17-19,21-22,25-26H,13-16 H2,1-7H3,(H2,30,34)(H,31, 37)(H,32,35)(H,33,36)(H,3 9,40)/t21-,22-,25+,26-/m0 /s1; SGKZZKPYLILTJX-RLBRRGQKSA-N |
CC(C)CC(NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC (=O)CC(C)C)P(=O)(O)OC(Cc1ccccc1)C(=O)OC; O=C(NC(C(=O)NC(C(=O)NC(CC(C)C)P(=O)(OC( C(=O)OC)Cc1ccccc1)O)CC(=O)N)C(C)C)CC(C)C ; COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH]( CC(C)C)NC(=O)[CH](CC(N)=O)NC(=O)[CH](NC( =O)CC(C)C)C(C)C; CC(C)C[C@H](NC(=O)[C@H] (CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C) [P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC; CO C(=O)[C@H](Cc1ccccc1)O[P@](O)(=O)[C@H](C C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N C(=O)CC(C)C)C(C)C |
2-[(1R)-1-(N-(3-METHYLBUTANOYL)-L-VALYL-L-ASPARAGINYL)-AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-PHENYLPROPANOIC ACID METHYLESTER |
| 37446 | PP9 | 27 | C34 H34 N4 O4 | InChI=1S/C34H34N4O4/c1-7- 21-17(3)25-13-26-19(5)23( 9-11-33(39)40)31(37-26)16 -32-24(10-12-34(41)42)20( 6)28(38-32)15-30-22(8-2)1 8(4)27(36-30)14-29(21)35- 25/h7-8,13-16,36-37H,1-2, 9-12H2,3-6H3,(H,39,40)(H, 41,42)/b25-13-,26-13-,27- 14-,28-15-,29-14-,30-15-, 31-16-,32-16-; FEDYMSUPMFCVOD-UJJXFSCMSA-N |
Cc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(C)c 5C=C)c(C)c4C=C)c(C)c3CCC(O)=O)c1CCC(O)=O ; Cc1c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc(c1C CC(=O)O)[nH]2)C(=C5C)CCC(=O)O)C=C)C)C(=C 3C)C=C; O=C(O)CCc5c2nc(cc4nc(cc1c(c(\C=C )c(n1)cc3nc(c2)C(=C3C)CCC(=O)O)C)C(\C=C) =C4C)c5C; Cc1c2\cc\3/nc(\cc/4\c(c(/c(/[n H]4)c/c5n/c(c\c(c1CCC(=O)O)[nH]2)/C(=C5C )CCC(=O)O)C=C)C)C(=C3C)C=C |
PROTOPORPHYRIN IX |
| 37447 | PPB DB08420 ZINC000169748507 |
1 | C23 H27 B N4 O4 | InChI=1S/C23H27BN4O4/c25- 15-18-9-4-8-17(12-18)14-2 1(24(31)32)27-22(29)20-10 -5-11-28(20)23(30)19(26)1 3-16-6-2-1-3-7-16/h1-4,6- 9,12,19-21,31-32H,5,10-11 ,13-14,26H2,(H,27,29)/t19 -,20+,21+/m1/s1; UFOIPTZMXQILSG-HKBOAZHASA-N |
N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[ C@@H](Cc3cccc(c3)C#N)B(O)O; B(C(Cc1cccc( c1)C#N)NC(=O)C2CCCN2C(=O)C(Cc3ccccc3)N)( O)O; N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O )N[CH](Cc3cccc(c3)C#N)B(O)O; O=C(NC(B(O) O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2) CCC3; B([C@H](Cc1cccc(c1)C#N)NC(=O)[C@@H ]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)(O)O |
1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID; (D)PHE-PRO-BOROPHE(M-CN) |
| 37448 | PPC DB04294 ZINC000012504276 |
7 | C6 H15 O13 P3 | InChI=1S/C6H15O13P3/c7-4- 3(1-17-22(14,15)16)18-6(5 (4)8)19-21(12,13)2-20(9,1 0)11/h3-8H,1-2H2,(H,12,13 )(H2,9,10,11)(H2,14,15,16 )/t3-,4-,5-,6-/m1/s1; JFMKBQDEISBIPL-KVTDHHQDSA-N |
O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)( O)O; C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@ ](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O; O[C@H ]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O [P@@](O)(=O)C[P](O)(O)=O; C(C1C(C(C(O1)O P(=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O; O[CH] 1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O) (=O)C[P](O)(O)=O |
1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose; 5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribose; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-D-ribose; 1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-ribose |
| 37449 | PPD ZINC000015278583 |
9 | C12 H17 N2 O9 P | InChI=1S/C12H17N2O9P/c1-6 -11(17)8(4-14-9(12(18)19) 2-10(15)16)7(3-13-6)5-23- 24(20,21)22/h3,9,14,17H,2 ,4-5H2,1H3,(H,15,16)(H,18 ,19)(H2,20,21,22)/t9-/m0/ s1; UKHLSCZNRCHWTM-VIFPVBQESA-N |
Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CC(O)=O) C(O)=O)c1O; O=C(O)CC(C(=O)O)NCc1c(cnc(c1 O)C)COP(=O)(O)O; Cc1ncc(CO[P](O)(O)=O)c( CN[CH](CC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1) COP(=O)(O)O)CNC(CC(=O)O)C(=O)O)O; Cc1c(c (c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O )O)O |
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID; PYRIDOXYL-ASPARTIC ACID-5-MONOPHOSPHATE |
| 37450 | PPE DB01813 |
10 | C13 H20 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)/p +1/t10-/m0/s1; JMRKOGDJNHPMHS-JTQLQIEISA-O |
Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CC C(=O)O)C(=O)O)O; Cc1[nH+]cc(CO[P](O)(O)= O)c(CN[CH](CCC(O)=O)C(O)=O)c1O; Cc1[nH+] cc(CO[P](O)(O)=O)c(CN[C@@H](CCC(O)=O)C(O )=O)c1O; Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN C(CCC(=O)O)C(=O)O)O; O=C(O)C(NCc1c(c[nH+ ]c(c1O)C)COP(=O)(O)O)CCC(=O)O |
4-[(1,3-DICARBOXY-PROPYLAMINO)-METHYL]-3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDINIUM; PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE |
| 37451 | PPF CHEMBL666 DB00529 ZINC000008101109 |
16 | C H3 O5 P | InChI=1S/CH3O5P/c2-1(3)7( 4,5)6/h(H,2,3)(H2,4,5,6); ZJAOAACCNHFJAH-UHFFFAOYSA-N |
OC(=O)[P](O)(O)=O; O=C(O)P(=O)(O)O; C(=O )(O)P(=O)(O)O |
PHOSPHONOFORMIC ACID |
| 37452 | PPG DB03287 ZINC000098209316 |
26 | C14 H20 N3 O8 P | InChI=1S/C14H20N3O8P/c1-9 -13(18)11(10(6-16-9)8-25- 26(21,22)23)7-17-12(14(19 )20)2-4-24-5-3-15/h2,4,6, 18H,3,5,7-8,15H2,1H3,(H,1 9,20)(H2,21,22,23)/b4-2+, 17-12+; OBCQKAZQAHYUOZ-CALQLVRRSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C=COCCN)C( =O)O)O; O=P(O)(O)OCc1cnc(c(O)c1C/N=C(\C= C\OCCN)C(=O)O)C; Cc1ncc(CO[P](O)(O)=O)c( CN=C(\C=C\OCCN)C(O)=O)c1O; Cc1ncc(CO[P]( O)(O)=O)c(CN=C(C=COCCN)C(O)=O)c1O; Cc1c( c(c(cn1)COP(=O)(O)O)C/N=C(\C=C\OCCN)/C(= O)O)O |
(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid |
| 37453 | PPH CHEMBL40813 ZINC000003953934 |
10 | C8 H12 N O3 P | InChI=1S/C8H12NO3P/c9-8(1 3(10,11)12)6-7-4-2-1-3-5- 7/h1-5,8H,6,9H2,(H2,10,11 ,12)/t8-/m1/s1; FQCNOURLMNHAQN-MRVPVSSYSA-N |
c1ccc(cc1)CC(N)P(=O)(O)O; c1ccc(cc1)C[C@ H](N)P(=O)(O)O; N[CH](Cc1ccccc1)[P](O)(O )=O; N[C@@H](Cc1ccccc1)[P](O)(O)=O; O=P( O)(O)C(N)Cc1ccccc1 |
[(1R)-1-amino-2-phenylethyl]phosphonic acid |
| 37454 | PPI CHEMBL14021 DB03766 ZINC000006050663 |
0 | C3 H6 O2 | InChI=1S/C3H6O2/c1-2-3(4) 5/h2H2,1H3,(H,4,5); XBDQKXXYIPTUBI-UHFFFAOYSA-N |
CCC(=O)O; CCC(O)=O; O=C(O)CC | PROPANOIC ACID |
| 37455 | PPJ ZINC000058632774 |
4 | C13 H19 N2 O8 P | InChI=1S/C13H19N2O8P/c1-7 (16)3-11(13(18)19)15-5-10 -9(6-23-24(20,21)22)4-14- 8(2)12(10)17/h4-5,7,11,16 -17H,3,6H2,1-2H3,(H,18,19 )(H2,20,21,22)/b15-5+/t7- ,11-/m0/s1; XZPXXYMXESJHME-PMICCBOBSA-N |
C[CH](O)C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)( O)=O)C(O)=O; C[C@H](O)C[C@H](N=Cc1c(O)c( C)ncc1CO[P](O)(O)=O)C(O)=O; Cc1c(c(c(cn1 )COP(=O)(O)O)C=NC(CC(C)O)C(=O)O)O; Cc1c( c(c(cn1)COP(=O)(O)O)\C=N\[C@@H](C[C@H](C )O)C(=O)O)O; O=C(O)C(/N=C/c1c(cnc(c1O)C) COP(=O)(O)O)CC(O)C |
N-(HYDROXY{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)NORVALINE |
| 37456 | PPK DB03075 |
60 | H6 N O9 P3 | InChI=1S/H6NO9P3/c2-11(3, 4)1-12(5,6)10-13(7,8)9/h( H2,7,8,9)(H4,1,2,3,4,5,6); PELPUMGXMYVGSQ-UHFFFAOYSA-N |
O[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O; O=P( OP(=O)(O)O)(O)NP(=O)(O)O; N(P(=O)(O)O)P( =O)(O)OP(=O)(O)O; N(P(=O)(O)O)[P@](=O)(O )OP(=O)(O)O; O[P](O)(=O)N[P@@](O)(=O)O[P ](O)(O)=O |
(DIPHOSPHONO)AMINOPHOSPHONIC ACID |
| 37457 | PPL DB08421 |
0 | C10 H20 N2 O | InChI=1S/C10H20N2O/c1-10( 2,3)12-9(13)8-6-4-5-7-11- 8/h8,11H,4-7H2,1-3H3,(H,1 2,13)/t8-/m0/s1; BZRGONFHSWNSQA-QMMMGPOBSA-N |
O=C(NC(C)(C)C)C1NCCCC1; CC(C)(C)NC(=O)[C @@H]1CCCCN1; CC(C)(C)NC(=O)C1CCCCN1; CC( C)(C)NC(=O)[CH]1CCCCN1 |
PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE |
| 37458 | PPM CHEMBL122938 |
0 | C H5 O3 P | InChI=1/CH5O3P/c1-5(2,3)4 /h1H3,(H2,2,3,4)/f/h2-3H; YACKEPLHDIMKIO-IBIRENAJCP |
C[P](O)(O)=O; CP(=O)(O)O; O=P(O)(O)C | PHOSPHONOMETHYL GROUP |
| 37459 | PPN ZINC000000043864 |
2 | C9 H10 N2 O4 | InChI=1S/C9H10N2O4/c10-8( 9(12)13)5-6-1-3-7(4-2-6)1 1(14)15/h1-4,8H,5,10H2,(H ,12,13)/t8-/m0/s1; GTVVZTAFGPQSPC-QMMMGPOBSA-N |
c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-]; N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(O)=O; c1cc(ccc1CC(C(=O)O)N)[N+](=O)[O-]; N[CH] (Cc1ccc(cc1)[N+]([O-])=O)C(O)=O; [O-][N+ ](=O)c1ccc(cc1)CC(N)C(=O)O |
PARA-NITROPHENYLALANINE |
| 37460 | PPO DB03153 ZINC000012503118 |
2 | C5 H4 N4 O | InChI=1S/C5H4N4O/c10-5-4- 3(1-8-9-4)6-2-7-5/h2H,1H2 ,(H,6,7,10); OGCXIHWGXUQTCQ-UHFFFAOYSA-N |
c1nc2c(c(n1)O)N=NC2; Oc1ncnc2CN=Nc12; n2 c1c(N=NC1)c(nc2)O |
3H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL |
| 37461 | PPP DB02803 |
0 | C9 H12 O2 | InChI=1S/C9H12O2/c10-7-9( 11)6-8-4-2-1-3-5-8/h1-5,9 -11H,6-7H2/t9-/m0/s1; JHWQMXKQJVAWKI-VIFPVBQESA-N |
c1ccc(cc1)CC(CO)O; c1ccc(cc1)C[C@@H](CO) O; OC[CH](O)Cc1ccccc1; OC(Cc1ccccc1)CO; OC[C@@H](O)Cc1ccccc1 |
3-PHENYL-1,2-PROPANDIOL |
| 37462 | PPQ CHEMBL145114 ZINC000000902209 |
45 | C5 H12 N O4 P | InChI=1S/C5H12NO4P/c1-11( 9,10)3-2-4(6)5(7)8/h4H,2- 3,6H2,1H3,(H,7,8)(H,9,10) /t4-/m0/s1; IAJOBQBIJHVGMQ-BYPYZUCNSA-N |
C[P@](O)(=O)CC[C@H](N)C(O)=O; O=P(O)(C)C CC(C(=O)O)N; CP(=O)(CCC(C(=O)O)N)O; C[P@ ](=O)(CC[C@@H](C(=O)O)N)O; C[P](O)(=O)CC [CH](N)C(O)=O |
PHOSPHINOTHRICIN; 2-AMINO-4-(HYDROXYMETHYL-PHOSPHINYL)BUTANOIC ACID |
| 37463 | PPR DB02522 ZINC000004095926 |
2 | C3 H5 O6 P | InChI=1S/C3H5O6P/c4-2(3(5 )6)1-10(7,8)9/h1H2,(H,5,6 )(H2,7,8,9); CHDDAVCOAOFSLD-UHFFFAOYSA-N |
O=C(O)C(=O)CP(=O)(O)O; OC(=O)C(=O)C[P](O )(O)=O; C(C(=O)C(=O)O)P(=O)(O)O |
PHOSPHONOPYRUVATE |
| 37464 | PPS DB02902 ZINC000004228233 |
22 | C10 H15 N5 O13 P2 S | InChI=1S/C10H15N5O13P2S/c 11-8-5-9(13-2-12-8)15(3-1 4-5)10-6(16)7(27-29(17,18 )19)4(26-10)1-25-30(20,21 )28-31(22,23)24/h2-4,6-7, 10,16H,1H2,(H,20,21)(H2,1 1,12,13)(H2,17,18,19)(H,2 2,23,24)/t4-,6-,7-,10-/m1 /s1; GACDQMDRPRGCTN-KQYNXXCUSA-N |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)( =O)O[S](O)(=O)=O)[C@@H](O[P](O)(O)=O)[C@ H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O )(=O)O[S](O)(=O)=O)[CH](O[P](O)(O)=O)[CH ]3O; O=S(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n cnc12)N)C(O)C3OP(=O)(O)O; c1nc(c2c(n1)n( cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@] (=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N; c1nc( c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OS(=O) (=O)O)OP(=O)(O)O)O)N |
3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE |
| 37465 | PPT CHEMBL1235413 DB03400 ZINC000000135745 |
1 | C10 H12 O2 | InChI=1S/C10H12O2/c1-8-2- 4-9(5-3-8)6-7-10(11)12/h2 -5H,6-7H2,1H3,(H,11,12); LDYGRLNSOKABMM-UHFFFAOYSA-N |
O=C(O)CCc1ccc(cc1)C; Cc1ccc(CCC(O)=O)cc1 ; Cc1ccc(cc1)CCC(=O)O |
3-(P-TOLYL)PROPIONIC ACID |
| 37466 | PPU ZINC000058632803 |
0 | C22 H30 N7 O8 P | InChI=1S/C22H30N7O8P/c1-2 8(2)19-17-20(25-10-24-19) 29(11-26-17)22-18(30)16(1 5(37-22)9-36-38(32,33)34) 27-21(31)14(23)8-12-4-6-1 3(35-3)7-5-12/h4-7,10-11, 14-16,18,22,30H,8-9,23H2, 1-3H3,(H,27,31)(H2,32,33, 34)/t14-,15+,16+,18+,22+/ m0/s1; NYICMZBLMICLBS-NVWDDTSBSA-N |
CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H ]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](Cc4cc c(cc4)OC)N)O; CN(C)c1c2c(ncn1)n(cn2)C3C( C(C(O3)COP(=O)(O)O)NC(=O)C(Cc4ccc(cc4)OC )N)O; COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O) [CH](O[CH]2CO[P](O)(O)=O)n3cnc4c(ncnc34) N(C)C)cc1; COc1ccc(C[C@H](N)C(=O)N[C@H]2 [C@@H](O)[C@@H](O[C@@H]2CO[P](O)(O)=O)n3 cnc4c(ncnc34)N(C)C)cc1; O=P(O)(O)OCC4OC( n2cnc1c2ncnc1N(C)C)C(O)C4NC(=O)C(N)Cc3cc c(OC)cc3 |
PUROMYCIN-5'-MONOPHOSPHATE |
| 37467 | PPV CHEMBL1160571 DB04160 ZINC000006827695 |
85 | H4 O7 P2 | InChI=1S/H4O7P2/c1-8(2,3) 7-9(4,5)6/h(H2,1,2,3)(H2, 4,5,6); XPPKVPWEQAFLFU-UHFFFAOYSA-N |
O=P(O)(O)OP(=O)(O)O; O[P](O)(=O)O[P](O)( O)=O; OP(=O)(O)OP(=O)(O)O |
PYROPHOSPHATE |
| 37468 | PPW ZINC000058638362 |
0 | C10 H14 N5 O7 P | InChI=1S/C10H14N5O7P/c11- 10-13-8-4(9(17)14-10)2-12 -15(8)7-1-5(16)6(22-7)3-2 1-23(18,19)20/h2,5-7,16H, 1,3H2,(H2,18,19,20)(H3,11 ,13,14,17)/t5-,6+,7+/m0/s 1; KGWPGOYMIMMQGK-RRKCRQDMSA-N |
c1c2c(n(n1)[C@H]3C[C@@H]([C@H](O3)COP(=O )(O)O)O)N=C(NC2=O)N; O=C1c2cnn(c2N=C(N)N 1)C3OC(C(O)C3)COP(=O)(O)O; c1c2c(n(n1)C3 CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N; NC1=N c2n(ncc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]( O)(O)=O)O3; NC1=Nc2n(ncc2C(=O)N1)[C@H]3C [C@H](O)[C@@H](CO[P](O)(O)=O)O3 |
7-DEAZA-8-AZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE |
| 37469 | PPX CHEMBL65273 DB08422 ZINC000003871334 |
1 | C21 H27 N5 O2 | InChI=1S/C21H27N5O2/c22-1 8(15-16-5-2-1-3-6-16)21(2 8)26-14-4-7-19(26)20(27)2 5-13-12-24-17-8-10-23-11- 9-17/h1-3,5-6,8-11,18-19H ,4,7,12-15,22H2,(H,23,24) (H,25,27)/t18-,19+/m1/s1; GEIDRYBJURDUSW-MOPGFXCFSA-N |
c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCCNc3ccnc c3)N; N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C (=O)NCCNc3ccncc3; N[CH](Cc1ccccc1)C(=O)N 2CCC[CH]2C(=O)NCCNc3ccncc3; O=C(NCCNc1cc ncc1)C3N(C(=O)C(N)Cc2ccccc2)CCC3; c1ccc( cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3cc ncc3)N |
[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-4-YLAMINO)-ETHYL]-AMINE |
| 37470 | PPY CHEMBL1162488 DB03884 ZINC000000901485 |
44 | C9 H8 O3 | InChI=1S/C9H8O3/c10-8(9(1 1)12)6-7-4-2-1-3-5-7/h1-5 H,6H2,(H,11,12); BTNMPGBKDVTSJY-UHFFFAOYSA-N |
c1ccc(cc1)CC(=O)C(=O)O; OC(=O)C(=O)Cc1cc ccc1; O=C(C(=O)O)Cc1ccccc1 |
3-PHENYLPYRUVIC ACID |
| 37471 | PPZ DB01994 ZINC000003581236 |
0 | C11 H11 N5 O | InChI=1S/C11H11N5O/c17-6- 4-12-10-9-11(14-7-13-10)1 6-5-2-1-3-8(16)15-9/h1-3, 5,7,17H,4,6H2,(H,12,13,14 ); QBILBVYKWQWDQJ-UHFFFAOYSA-N |
OCCNc1ncnc2n3ccccc3nc12; OCCNc3ncnc2c3nc 1ccccn12; c1ccn2c(c1)nc3c2ncnc3NCCO |
2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL |
| 37472 | PQ0 CHEMBL577120 DB03074 ZINC000005973818 |
11 | C7 H5 N5 O | InChI=1S/C7H5N5O/c8-1-3-2 -10-5-4(3)6(13)12-7(9)11- 5/h2H,(H4,9,10,11,12,13); FMKSMYDYKXQYRV-UHFFFAOYSA-N |
NC1=Nc2[nH]cc(C#N)c2C(=O)N1; c1c(c2c([nH ]1)N=C(NC2=O)N)C#N; N#Cc1cnc2N=C(NC(=O)c 12)N |
2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE; 7-DEAZA-7-CYANO-GUANINE |
| 37473 | PQ1 ZINC000058638898 |
0 | C12 H18 N5 O8 P | InChI=1S/C12H18N5O8P/c13- 1-4-2-17(9-6(4)10(20)16-1 2(14)15-9)11-8(19)7(18)5( 25-11)3-24-26(21,22)23/h2 ,5,7-8,11,18-19H,1,3,13H2 ,(H2,21,22,23)(H3,14,15,1 6,20)/t5-,7-,8-,11-/m1/s1; GIQSPNMTDJCDKB-IOSLPCCCSA-N |
O=C1c2c(N=C(N)N1)n(cc2CN)C3OC(C(O)C3O)CO P(=O)(O)O; c1c(c2c(n1C3C(C(C(O3)COP(=O)( O)O)O)O)N=C(NC2=O)N)CN; NCc1cn([CH]2O[CH ](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC (=O)c13; c1c(c2c(n1[C@H]3[C@@H]([C@@H]([ C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N)CN; NCc1cn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H ](O)[C@H]2O)c3N=C(N)NC(=O)c13 |
PHOSPHORIC ACID MONO-[5-(2-AMINO-5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL] ESTER |
| 37474 | PQ2 | 2 | C42 H48 N4 O16 | InChI=1S/C42H48N4O16/c1-4 1(17-39(59)60)23(5-9-35(5 1)52)29-14-27-21(11-37(55 )56)19(3-7-33(47)48)25(43 -27)13-26-20(4-8-34(49)50 )22(12-38(57)58)28(44-26) 15-31-42(2,18-40(61)62)24 (6-10-36(53)54)30(46-31)1 6-32(41)45-29/h14-16,23-2 4,43-44,46H,3-13,17-18H2, 1-2H3,(H,47,48)(H,49,50)( H,51,52)(H,53,54)(H,55,56 )(H,57,58)(H,59,60)(H,61, 62)/b29-14-,30-16-,31-15- /t23?,24?,41-,42-/m0/s1; CSWLXNNNLVVXKD-ORDMNHKBSA-N |
CC\1(C(/C/2=C/C3=N/C(=C\c4c(c(c([nH]4)Cc 5c(c(c([nH]5)/C=C1\N2)CC(=O)O)CCC(=O)O)C CC(=O)O)CC(=O)O)/C(C3(C)CC(=O)O)CCC(=O)O )CCC(=O)O)CC(=O)O; N3=C4C=C5C(C(C(=Cc1nc (c(CCC(O)=O)c1CC(O)=O)Cc2c(c(c(n2)C=C3C( C4(CC(=O)O)C)CCC(O)=O)CC(O)=O)CCC(O)=O)N 5)(C)CC(O)=O)CCC(O)=O; CC1(C(C2=CC3=NC(= Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C=C1N2)CC( =O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)C(C3(C)CC (=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O; C[C@]\1 (CC(O)=O)[C@H](CCC(O)=O)/C2=C/C3=N\C(=C/ c4[nH]c(Cc5[nH]c(/C=C\1N2)c(CC(O)=O)c5CC C(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@H](CCC(O )=O)[C@]3(C)CC(O)=O; C[C]1(CC(O)=O)[CH]( CCC(O)=O)C2=CC3=NC(=Cc4[nH]c(Cc5[nH]c(C= C1N2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4C C(O)=O)[CH](CCC(O)=O)[C]3(C)CC(O)=O |
3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid; Precorrin-2 |
| 37475 | PQ3 CHEMBL259739 |
0 | C34 H26 N6 O2 | InChI=1S/C34H24N6O2/c1-39 -19-25(17-23-7-3-5-9-29(2 3)39)35-33(41)27-15-13-21 -11-12-22-14-16-28(38-32( 22)31(21)37-27)34(42)36-2 6-18-24-8-4-6-10-30(24)40 (2)20-26/h3-20H,1-2H3/p+2; CTOLNXAGCUTHBW-UHFFFAOYSA-P |
C[n+]1cc(cc2c1cccc2)NC(=O)c3ccc4ccc5ccc( nc5c4n3)C(=O)Nc6cc7ccccc7[n+](c6)C; C[n+ ]1cc(cc2ccccc21)NC(=O)c1nc2c(cc1)ccc1ccc (nc12)C(=O)Nc1cc2ccccc2[n+](C)c1; C[n+]1 cc(NC(=O)c2ccc3ccc4ccc(nc4c3n2)C(=O)Nc5c c6ccccc6[n+](C)c5)cc7ccccc17 |
N2,N9-bis(1-methylquinolin-3-yl)-1,10-phenanthroline-2,9-dicarboxamide; Phen-DC3 |
| 37476 | PQ4 | 0 | C9 H9 N O3 | InChI=1S/C9H9NO3/c10-8(9( 12)13)5-6-1-3-7(11)4-2-6/ h1-5,11H,10H2,(H,12,13)/b 8-5-; VWVGLOXKDVGAFA-YVMONPNESA-N |
c1cc(ccc1C=C(C(=O)O)N)O; c1cc(ccc1/C=C(/ C(=O)O)\N)O; NC(=Cc1ccc(O)cc1)C(O)=O; N\ C(=C/c1ccc(O)cc1)C(O)=O |
(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid |
| 37477 | PQ5 CHEMBL4795226 |
8 | C17 H16 N4 O4 | InChI=1S/C17H16N4O4/c22-1 7(23)12-2-1-11-9-14(12)25 -8-7-24-6-4-18-15-3-5-21- 16(20-15)13(11)10-19-21/h 1-3,5,9-10H,4,6-8H2,(H,18 ,20)(H,22,23); ZZVWSUCYWBUTCA-UHFFFAOYSA-N |
OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3; c1 cc(c2cc1-c3cnn4c3nc(cc4)NCCOCCO2)C(=O)O |
7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid |
| 37478 | PQ6 | 3 | C20 H18 Cl N3 O2 | InChI=1S/C20H18ClN3O2/c21 -14-5-6-18-16(9-14)20(12- 22,7-8-26-18)19(25)24-17- 11-23-10-13-3-1-2-4-15(13 )17/h1-6,9-11H,7-8,12,22H 2,(H,24,25)/t20-/m0/s1; ILSGMAUMNXSNQB-FQEVSTJZSA-N |
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)C l)CN; Clc1ccc2OCCC(CN)(c2c1)C(=O)Nc1cncc 2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@]3(C COc4c3cc(cc4)Cl)CN; NC[C@]1(CCOc2ccc(Cl) cc12)C(=O)Nc3cncc4ccccc34; NC[C]1(CCOc2c cc(Cl)cc12)C(=O)Nc3cncc4ccccc34 |
(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 37479 | PQ7 CHEMBL3140162 ZINC000103262564 |
1 | C34 H42 N4 | InChI=1S/C34H42N4/c1-35(2 )33-17-23-36(24-18-33)27- 31-13-9-29(10-14-31)7-3-4 -8-30-11-15-32(16-12-30)2 8-37-25-19-34(20-26-37)38 -21-5-6-22-38/h9-20,23-26 H,3-8,21-22,27-28H2,1-2H3 /q+2; OXXBKOUHROTSGV-UHFFFAOYSA-N |
CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc (cc4)N5CCCC5)cc3)cc2)cc1; C([n+]1ccc(cc1 )N(C)C)c5ccc(CCCCc4ccc(C[n+]2ccc(cc2)N3C CCC3)cc4)cc5; CN(C)c1cc[n+](cc1)Cc2ccc(c c2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5 |
4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium |
| 37480 | PQ8 CHEMBL4793819 |
2 | C22 H26 N4 O7 | InChI=1S/C22H26N4O7/c1-22 (2,3)33-21(31)25(8-10-32- 11-9-27)18-6-7-26-19(24-1 8)16(13-23-26)14-4-5-15(2 0(29)30)17(28)12-14/h4-7, 12-13,27-28H,8-11H2,1-3H3 ,(H,29,30); DBCKRCZJYUIKNW-UHFFFAOYSA-N |
CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2) c3ccc(c(c3)O)C(=O)O; CC(C)(C)OC(=O)N(CCO CCO)c1ccn2ncc(c3ccc(C(O)=O)c(O)c3)c2n1 |
4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid |
| 37481 | PQ9 ZINC000058638363 |
0 | C43 H64 O2 | InChI=1S/C43H64O2/c1-32(2 )17-11-18-33(3)19-12-20-3 4(4)21-13-22-35(5)23-14-2 4-36(6)25-15-26-37(7)27-1 6-28-38(8)29-30-41-31-42( 44)39(9)40(10)43(41)45/h1 7,19,21,23,25,27,29,31H,1 1-16,18,20,22,24,26,28,30 H2,1-10H3/b33-19+,34-21+, 35-23+,36-25+,37-27+,38-2 9+; JXUCGUASMMLSBH-HOHOQCMASA-N |
CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C) /CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C (\C)/CCC=C(C)C)C; CC(C)=CCCC(C)=CCCC(C)= CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=CC( =O)C(=C(C)C1=O)C; CC1=C(C(=O)C(=CC1=O)CC =C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC =C(C)CCC=C(C)C)C; CC(C)=CCCC(/C)=C/CCC(/ C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/ C)=C/CC1=CC(=O)C(=C(C)C1=O)C; O=C1C(=CC( =O)C(=C1C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C )CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C )C |
5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-HEPTAMETHYLOCTACOSA-2,6,10,14,18,22,26-HEPTAENYL]-2,3-DIMETHYLBENZO-1,4-QUINONE |
| 37482 | PQA DB08423 ZINC000053683154 |
1 | C21 H21 F N4 O2 | InChI=1S/C21H21FN4O2/c22- 15-4-6-16(7-5-15)26-21(23 )19(13-25-26)20(27)14-2-1 -3-18(12-14)28-17-8-10-24 -11-9-17/h1-7,12-13,17,24 H,8-11,23H2; QKZZJXRGCHXIAI-UHFFFAOYSA-N |
Nc1n(ncc1C(=O)c2cccc(OC3CCNCC3)c2)c4ccc( F)cc4; Fc1ccc(cc1)n2ncc(c2N)C(=O)c4cc(OC 3CCNCC3)ccc4; c1cc(cc(c1)OC2CCNCC2)C(=O) c3cnn(c3N)c4ccc(cc4)F |
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE |
| 37483 | PQB CHEMBL203567 DB08424 |
2 | C19 H18 F N3 O4 | InChI=1S/C19H18FN3O4/c20- 13-4-6-14(7-5-13)23-19(21 )17(9-22-23)18(26)12-2-1- 3-16(8-12)27-11-15(25)10- 24/h1-9,15,24-25H,10-11,2 1H2/t15-/m0/s1; IJDQETGUEUJVTB-HNNXBMFYSA-N |
Fc3ccc(n1ncc(c1N)C(=O)c2cccc(OCC(O)CO)c2 )cc3; c1cc(cc(c1)OCC(CO)O)C(=O)c2cnn(c2N )c3ccc(cc3)F; Nc1n(ncc1C(=O)c2cccc(OC[CH ](O)CO)c2)c3ccc(F)cc3; Nc1n(ncc1C(=O)c2c ccc(OC[C@@H](O)CO)c2)c3ccc(F)cc3; c1cc(c c(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(c c3)F |
[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE |
| 37484 | PQC ZINC000066165940 |
2 | C22 H16 N4 O2 S2 | InChI=1S/C22H16N4O2S2/c23 -30(27,28)17-8-4-7-16(11- 17)25-22-24-13-15-9-10-19 -18(21(15)26-22)12-20(29- 19)14-5-2-1-3-6-14/h1-13H ,(H2,23,27,28)(H,24,25,26 ); ZSSGEBJSMMYEMX-UHFFFAOYSA-N |
O=S(=O)(N)c1cccc(c1)Nc2nc4c(cn2)ccc3sc(c c34)c5ccccc5; c1ccc(cc1)c2cc3c(s2)ccc4c3 nc(nc4)Nc5cccc(c5)S(=O)(=O)N; N[S](=O)(= O)c1cccc(Nc2ncc3ccc4sc(cc4c3n2)c5ccccc5) c1 |
3-[(8-phenylthieno[2,3-h]quinazolin-2-yl)amino]benzenesulfonamide |
| 37485 | PQD | 1 | C17 H16 N6 | InChI=1S/C17H16N6/c18-11- 3-1-2-10(8-11)9-23-7-6-12 -14(23)5-4-13-15(12)16(19 )22-17(20)21-13/h1-8H,9,1 8H2,(H4,19,20,21,22); DNYUNVSBWOHMOD-UHFFFAOYSA-N |
Nc1cccc(Cn2ccc3c2ccc4nc(N)nc(N)c34)c1; c 1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N; c1c(N)cccc1Cn4c3ccc2nc(N)nc(c2c3cc4)N |
7-[(3-aminophenyl)methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine |
| 37486 | PQE ZINC000058638364 |
5 | C29 H60 O8 | InChI=1S/C29H60O8/c1-2-3- 4-5-6-7-8-9-10-12-16-31-2 1-24-35-26-28-37-29-27-36 -25-22-33-18-14-11-13-17- 32-20-23-34-19-15-30/h30H ,2-29H2,1H3; GEEFJAPPTAALTR-UHFFFAOYSA-N |
O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC; CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO |
3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL; ANAPOE-C12E8 |
| 37487 | PQF CHEMBL5028051 |
1 | C30 H32 F N5 O2 | InChI=1S/C30H32FN5O2/c1-1 8-28(35(4)34-33-18)21-14- 26-27(32-17-21)22-15-24(3 1)23(30(2,3)37)16-25(22)3 6(26)29(19-8-6-5-7-9-19)2 0-10-12-38-13-11-20/h5-9, 14-17,20,29,37H,10-13H2,1 -4H3/t29-/m1/s1; UJARZGSRRXPOTK-GDLZYMKVSA-N |
Cn1nnc(C)c1c2cnc3c(c2)n([C@@H](C4CCOCC4) c5ccccc5)c6cc(c(F)cc36)C(C)(C)O; CC(C)(O )c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1 CCOCC1)c1ccccc1; Cc1c(n(nn1)C)c2cc3c(c4c c(c(cc4n3C(c5ccccc5)C6CCOCC6)C(C)(C)O)F) nc2; Cc1c(n(nn1)C)c2cc3c(c4cc(c(cc4n3[C@ H](c5ccccc5)C6CCOCC6)C(C)(C)O)F)nc2; Cn1 nnc(C)c1c2cnc3c(c2)n([CH](C4CCOCC4)c5ccc cc5)c6cc(c(F)cc36)C(C)(C)O |
2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
| 37488 | PQG | 0 | C13 H17 N O2 | InChI=1S/C13H17NO2/c14-13 (12(15)16)8-6-11(7-9-13)1 0-4-2-1-3-5-10/h1-5,11H,6 -9,14H2,(H,15,16)/t11-,13 +; TWAYLYPZRSXEOS-BJHJDKERSA-N |
c1ccc(cc1)C2CCC(CC2)(C(=O)O)N; c1(ccccc1 )C2CCC(N)(C(O)=O)CC2; N[C]1(CC[CH](CC1)c 2ccccc2)C(O)=O; N[C@]1(CC[C@H](CC1)c2ccc cc2)C(O)=O |
cis-1-amino-4-phenylcyclohexane-1-carboxylic acid |
| 37489 | PQH CHEMBL4644620 ZINC000032627358 |
1 | C7 H6 F3 N O2 | InChI=1S/C7H6F3NO2/c1-3-4 (6(12)13)2-5(11-3)7(8,9)1 0/h2,11H,1H3,(H,12,13); FZYQYTJVKWEWQJ-UHFFFAOYSA-N |
Cc1[nH]c(cc1C(O)=O)C(F)(F)F; Cc1c(cc([nH ]1)C(F)(F)F)C(=O)O |
2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid |
| 37490 | PQI | 2 | C23 H25 Cl N4 O2 | InChI=1S/C23H25ClN4O2/c1- 3-20(29)28-9-8-27-11-15-5 -6-17(22(24)23(15)30-13-1 6(27)12-28)21-14(2)4-7-19 -18(21)10-25-26-19/h4-7,1 0,16H,3,8-9,11-13H2,1-2H3 ,(H,25,26)/t16-/m0/s1; TUSIXDDNOBGGRH-INIZCTEOSA-N |
CCC(=O)N1CCN2Cc3ccc(c(c3OC[C@@H]2C1)Cl)c 4c(ccc5c4c[nH]n5)C; CCC(=O)N1CCN2Cc3ccc( c(c3OCC2C1)Cl)c4c(ccc5c4c[nH]n5)C; CCC(= O)N1CCN2Cc3ccc(c(Cl)c3OC[C@@H]2C1)c4c(C) ccc5n[nH]cc45; CCC(=O)N1CCN2Cc3ccc(c(Cl) c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45 |
1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one |
| 37491 | PQJ | 50 | C19 H43 N O4 P | InChI=1S/C19H43NO4P/c1-5- 6-7-8-9-10-11-12-13-14-15 -16-18-23-25(21,22)24-19- 17-20(2,3)4/h5-19H2,1-4H3 ,(H,21,22); JOPCRKJIQSCIFM-UHFFFAOYSA-N |
CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C; CC CCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C |
fos-choline-14; tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate |
| 37492 | PQK CHEMBL1577069 ZINC000000159030 |
1 | C10 H13 N O2 | InChI=1S/C10H13NO2/c1-6-5 -9(10(12)13)7(2)11(6)8-3- 4-8/h5,8H,3-4H2,1-2H3,(H, 12,13); VOOZJPFNBFNPEK-UHFFFAOYSA-N |
Cc1cc(c(n1C2CC2)C)C(=O)O; Cc1cc(C(O)=O)c (C)n1C2CC2 |
1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid |
| 37493 | PQL CHEMBL5428739 |
1 | C22 H30 F3 N5 O4 S2 | InChI=1S/C22H30F3N5O4S2/c 1-20(2,3)15(29-19(34)22(2 3,24)25)18(33)30-11-21(35 -6-7-36-21)9-14(30)17(32) 28-13(10-26)8-12-4-5-27-1 6(12)31/h12-15H,4-9,11H2, 1-3H3,(H,27,31)(H,28,32)( H,29,34)/t12-,13-,14-,15+ /m0/s1; LQBRGTAIBBFUJJ-ZQDZILKHSA-N |
CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C [CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2; CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2 (C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N )SCCS2; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC( CC3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F; CC( C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@ H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)( F)F |
(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
| 37494 | PQM CHEMBL4539725 ZINC000001437372 |
3 | C12 H9 N O2 | InChI=1S/C12H9NO2/c14-12( 15)10-5-3-9(4-6-10)11-2-1 -7-13-8-11/h1-8H,(H,14,15 ); GYUKEVKPDRXPAB-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)c2cccnc2; c1cc(cnc1)c2cc c(cc2)C(O)=O; c1cc(cnc1)c2ccc(cc2)C(=O)O |
4-(pyridin-3-yl)benzoic acid |
| 37495 | PQN CHEMBL1550 DB01022 ZINC000003831332 |
477 | C31 H46 O2 | InChI=1S/C31H46O2/c1-22(2 )12-9-13-23(3)14-10-15-24 (4)16-11-17-25(5)20-21-27 -26(6)30(32)28-18-7-8-19- 29(28)31(27)33/h7-8,18-20 ,22-24H,9-17,21H2,1-6H3/b 25-20+/t23-,24-/m1/s1; MBWXNTAXLNYFJB-NKFFZRIASA-N |
CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CC CC(C)CCCC(C)C; O=C2c1c(cccc1)C(=O)C(=C2C )C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C; CC1=C( C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)C CC[C@H](C)CCCC(C)C; CC(C)CCC[CH](C)CCC[C H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C /CC1=C(C)C(=O)c2ccccc2C1=O |
PHYLLOQUINONE; VITAMIN K1; 2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE |
| 37496 | PQO CHEMBL5268084 |
1 | C6 H5 Br N2 O3 | InChI=1S/C6H5BrN2O3/c7-3- 1-2(10)5(11)4(9-3)6(8)12/ h1,11H,(H2,8,12)(H,9,10); WVSCZJMUZSYCEH-UHFFFAOYSA-N |
NC(=O)C1=C(O)C(=O)C=C(Br)N1; OC1=C(NC(Br )=CC1=O)C(N)=O; C1=C(NC(=C(C1=O)O)C(=O)N )Br |
6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide |
| 37497 | PQP CHEMBL4543910 ZINC000000158888 |
1 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-1-3-9(4-2-8)12-6-5- 11-7-12/h1-7H,(H,13,14); LFIDZIWWYNTQOQ-UHFFFAOYSA-N |
OC(=O)c1ccc(cc1)n2ccnc2; c1cc(ccc1C(=O)O )n2ccnc2; c1cn(cn1)c2ccc(C(O)=O)cc2 |
4-(1H-imidazol-1-yl)benzoic acid |
| 37498 | PQQ CHEMBL1235421 DB03205 ZINC000001532545 |
114 | C14 H6 N2 O8 | InChI=1S/C14H6N2O8/c17-10 -4-2-6(14(23)24)15-8(4)7- 3(12(19)20)1-5(13(21)22)1 6-9(7)11(10)18/h1-2,15H,( H,19,20)(H,21,22)(H,23,24 ); MMXZSJMASHPLLR-UHFFFAOYSA-N |
c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O) C(=O)O)C(=O)O; OC(=O)c1[nH]c2c(c1)C(=O)C (=O)c3nc(cc(C(O)=O)c23)C(O)=O; O=C(O)c1c 3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc 23 |
PYRROLOQUINOLINE QUINONE |
| 37499 | PQR CHEMBL1256623 ZINC000003870870 |
3 | C7 H8 N2 O3 | InChI=1S/C7H8N2O3/c1-9(8- 12)5-2-3-6(10)7(11)4-5/h2 -4,10-11H,1H3; XAKAQCMEMMZUEO-UHFFFAOYSA-N |
O=NN(c1cc(O)c(O)cc1)C; CN(c1ccc(c(c1)O)O )N=O; CN(N=O)c1ccc(O)c(O)c1 |
4-[methyl(nitroso)amino]benzene-1,2-diol; Methyl-3,4-dephostatin |
| 37500 | PQS CHEMBL3542351 ZINC000000338742 |
2 | C12 H9 N O2 | InChI=1S/C12H9NO2/c14-12( 15)10-6-4-9(5-7-10)11-3-1 -2-8-13-11/h1-8H,(H,14,15 ); AQIPNZHMXANQRC-UHFFFAOYSA-N |
c1ccnc(c1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc( cc1)c2ccccn2; c2(ccc(c1ccccn1)cc2)C(O)=O |
4-(pyridin-2-yl)benzoic acid |
| 37501 | PQT ZINC000084499328 |
1 | C11 H12 Cl N O2 | InChI=1S/C11H12ClNO2/c12- 9-3-1-2-4-10(9)13-6-5-8(7 -13)11(14)15/h1-4,8H,5-7H 2,(H,14,15)/t8-/m1/s1; FPGYADRKFPWWLU-MRVPVSSYSA-N |
OC(=O)[CH]1CCN(C1)c2ccccc2Cl; c1ccc(c(c1 )N2CCC(C2)C(=O)O)Cl; c1ccc(c(c1)N2CC[C@H ](C2)C(=O)O)Cl; OC(=O)[C@@H]1CCN(C1)c2cc ccc2Cl |
(3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid |
| 37502 | PQU | 3 | C21 H17 N3 O4 | InChI=1S/C21H17N3O4/c1-21 (15-12-13-18(22-14-15)27- 17-10-6-3-7-11-17)19(25)2 4(20(26)28-21)23-16-8-4-2 -5-9-16/h2-14,23H,1H3/t21 -/m0/s1; QOFLFGUNPBNKDO-NRFANRHFSA-N |
CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2cccc c2)cc1; CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3c cc(nc3)Oc4ccccc4; C[C]1(OC(=O)N(Nc2ccccc 2)C1=O)c3ccc(Oc4ccccc4)nc3; C[C@@]1(C(=O )N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4 ; C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc 4ccccc4)nc3 |
(5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione |
| 37503 | PQV ZINC000013957020 |
4 | C10 H19 N3 O2 | InChI=1S/C10H19N3O2/c14-1 0(9-12-15)11-5-8-13-6-3-1 -2-4-7-13/h9,15H,1-8H2,(H ,11,14)/b12-9+; VIABFASHQHHYNB-FMIVXFBMSA-N |
C1CCCN(CC1)CCNC(=O)C=NO; C1CCCN(CC1)CCNC (=O)/C=N/O; ON=CC(=O)NCCN1CCCCCC1; O/N=C /C(=O)NCCN1CCCCCC1; C1N(CCCCC1)CCNC(\C=N \O)=O |
(2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide |
| 37504 | PQW CHEMBL3327299 ZINC000098209317 |
5 | C27 H27 N5 O2 S2 | InChI=1S/C27H27N5O2S2/c28 -26(24-6-2-12-35-24)31-18 -8-10-21(11-9-18)33-17-20 -15-23(16-30-20)34-22-5-1 -4-19(14-22)32-27(29)25-7 -3-13-36-25/h1-14,20,23,3 0H,15-17H2,(H2,28,31)(H2, 29,32)/t20-,23+/m0/s1; MVLJJSCAHWVTFO-NZQKXSOJSA-N |
NC(=Nc1ccc(OC[CH]2C[CH](CN2)Oc3cccc(NC(= N)c4sccc4)c3)cc1)c5sccc5; c1cc(cc(c1)OC2 CC(NC2)COc3ccc(cc3)N=C(c4cccs4)N)NC(=N)c 5cccs5; N(/c4ccc(OCC3NCC(Oc2cccc(NC(=[N@ H])c1sccc1)c2)C3)cc4)=C(\N)c5sccc5; [H]/ N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H]( NC3)COc4ccc(cc4)N=C(c5cccs5)N; NC(=Nc1cc c(OC[C@@H]2C[C@H](CN2)Oc3cccc(NC(=N)c4sc cc4)c3)cc1)c5sccc5 |
N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide |
| 37505 | PQX | 0 | C18 H21 N O2 | InChI=1S/C18H21NO2/c1-13( 19-11-9-15(10-12-19)18(20 )21)16-8-4-6-14-5-2-3-7-1 7(14)16/h2-8,13,15H,9-12H 2,1H3,(H,20,21)/t13-/m1/s 1; KGMWLBRRSONKQK-CYBMUJFWSA-N |
CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O; C[CH ](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@@ H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@ H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O |
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid |
| 37506 | PQY | 1 | C13 H24 N6 O4 | InChI=1S/C13H24N6O4/c20-1 2(10-16-22)14-2-6-18-4-1- 5-19(9-8-18)7-3-15-13(21) 11-17-23/h10-11,22-23H,1- 9H2,(H,14,20)(H,15,21)/b1 6-10+,17-11+; DFNMYOZHKNITMF-OTYYAQKOSA-N |
O\N=C\C(=O)NCCN1CCCN(CCNC(=O)\C=N\O)CC1; N1(CCNC(\C=N\O)=O)CCN(CCNC([C@H]=NO)=O) CCC1; C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C =NO; C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O) /C=N/O; ON=CC(=O)NCCN1CCCN(CCNC(=O)C=NO) CC1 |
(2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide] |
| 37507 | PQZ CHEMBL4647574 ZINC000022212771 |
1 | C11 H15 N O2 | InChI=1S/C11H15NO2/c1-7-5 -10(11(13)14)8(2)12(7)6-9 -3-4-9/h5,9H,3-4,6H2,1-2H 3,(H,13,14); IRPSDSAYDMWHCN-UHFFFAOYSA-N |
Cc1cc(C(O)=O)c(C)n1CC2CC2; Cc1cc(c(n1CC2 CC2)C)C(=O)O |
1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid |
| 37508 | PR | 2 | Pr | InChI=1S/Pr/q+3; WCWKKSOQLQEJTE-UHFFFAOYSA-N |
[Pr+3] | PRASEODYMIUM ION |
| 37509 | PR0 | 0 | C10 H15 N O | InChI=1S/C10H15NO/c1-8(12 )10(11)7-9-5-3-2-4-6-9/h2 -6,8,10,12H,7,11H2,1H3/t8 -,10+/m1/s1; SMZUMFSKQVVOOV-SCZZXKLOSA-N |
CC(C(Cc1ccccc1)N)O; C[C@H]([C@H](Cc1cccc c1)N)O; C[CH](O)[CH](N)Cc1ccccc1; C[C@@H ](O)[C@@H](N)Cc1ccccc1; OC(C(N)Cc1ccccc1 )C |
3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL |
| 37510 | PR1 CHEMBL330572 DB02744 ZINC000003873901 |
1 | C19 H19 N5 O4 S2 | InChI=1S/C19H19N5O4S2/c20 -18(21)11-3-4-15(25)12(8- 11)10-24-7-5-13(19(24)26) 23-30(27,28)17-9-14-16(29 -17)2-1-6-22-14/h1-4,6,8- 9,13,23,25H,5,7,10H2,(H3, 20,21)/t13-/m0/s1; PQJGWYQPOHCEDO-ZDUSSCGKSA-N |
NC(=N)c1ccc(O)c(CN2CC[CH](N[S](=O)(=O)c3 sc4cccnc4c3)C2=O)c1; c1cc2c(cc(s2)S(=O)( =O)NC3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; O =C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(= O)c4sc3cccnc3c4; c1cc2c(cc(s2)S(=O)(=O)N [C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; N C(=N)c1ccc(O)c(CN2CC[C@H](N[S](=O)(=O)c3 sc4cccnc4c3)C2=O)c1 |
4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE; RPR131247 |
| 37511 | PR2 CHEMBL1235423 DB08426 ZINC000003815573 |
1 | C19 H17 N5 O3 S2 | InChI=1S/C19H17N5O3S2/c25 -19-14(23-29(26,27)18-9-1 5-17(28-18)2-1-5-21-15)4- 7-24(19)11-13-8-12-3-6-20 -10-16(12)22-13/h1-3,5-6, 8-10,14,22-23H,4,7,11H2/t 14-/m0/s1; PLXOQMHGHDZMSX-AWEZNQCLSA-N |
c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4cc5 ccncc5[nH]4)nc1; O=C1[C@H](CCN1Cc2[nH]c3 cnccc3c2)N[S](=O)(=O)c4sc5cccnc5c4; O=C3 N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccn c4c5; c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C 3=O)Cc4cc5ccncc5[nH]4)nc1; O=C1[CH](CCN1 Cc2[nH]c3cnccc3c2)N[S](=O)(=O)c4sc5cccnc 5c4 |
THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE; RPR208707 |
| 37512 | PR3 DB03654 ZINC000053684033 |
0 | C6 H13 N O S2 | InChI=1S/C6H13NOS2/c1-2-3 -9-10-5-6(7)4-8/h4,6H,2-3 ,5,7H2,1H3/t6-/m1/s1; JOUZYBMKOXDVCY-ZCFIWIBFSA-N |
CCCSSCC(C=O)N; CCCSSC[C@H](N)C=O; O=CC(N )CSSCCC; CCCSSC[CH](N)C=O; CCCSSC[C@@H]( C=O)N |
S,S-PROPYLTHIOCYSTEINE |
| 37513 | PR4 ZINC000058638492 |
0 | C8 H13 N O5 | InChI=1S/C8H13NO5/c10-6(8 (13)14)4-9-3-1-2-5(9)7(11 )12/h5-6,10H,1-4H2,(H,11, 12)(H,13,14)/t5-,6+/m0/s1; VWTJOUUXTYKUIB-NTSWFWBYSA-N |
C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O ; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O=C(O)C( O)CN1C(C(=O)O)CCC1; O[C@H](CN1CCC[C@H]1C (O)=O)C(O)=O; O[CH](CN1CCC[CH]1C(O)=O)C( O)=O |
1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline |
| 37514 | PR5 CHEMBL96862 DB03726 |
0 | C10 H13 N4 O7 P | InChI=1/C10H13N4O7P/c15-7 -6(2-20-22(17,18)19)21-10 (8(7)16)14-4-13-5-1-11-3- 12-9(5)14/h1,3-4,6-8,10,1 5-16H,2H2,(H2,17,18,19)/t 6-,7-,8-,10-/m1/s1/f/h17- 18H; MCWDCZIDTUQRHK-DUAZENTCDO |
c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@ H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH] (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2 c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O) (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c nc1cncnc12)C(O)C3O |
PURINE RIBOSIDE-5'-MONOPHOSPHATE |
| 37515 | PR6 | 10 | C3 H3 Cl O3 | InChI=1S/C3H3ClO3/c4-2(5) 1-3(6)7/h1H2,(H,6,7); UUOFSRVHZJTWDE-UHFFFAOYSA-N |
C(C(=O)O)C(=O)Cl; OC(=O)CC(Cl)=O; ClC(=O )CC(=O)O |
3-chloro-3-oxopropanoic acid |
| 37516 | PR7 ZINC000066166270 |
0 | C8 H13 N O5 | InChI=1S/C8H13NO5/c10-6(8 (13)14)4-9-3-1-2-5(9)7(11 )12/h5-6,10H,1-4H2,(H,11, 12)(H,13,14)/t5-,6-/m0/s1; VWTJOUUXTYKUIB-WDSKDSINSA-N |
C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O) O; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O[C@@H] (CN1CCC[C@H]1C(O)=O)C(O)=O; O=C(O)C(O)CN 1C(C(=O)O)CCC1; O[CH](CN1CCC[CH]1C(O)=O) C(O)=O |
1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline |
| 37517 | PR8 ZINC000058660594 |
4 | C15 H21 N6 O8 P | InChI=1S/C15H21N6O8P/c16- 12-9-13(19-5-18-12)21(6-2 0-9)14-11(23)10(22)8(28-1 4)4-27-30(25,26)29-15(24) 7-2-1-3-17-7/h5-8,10-11,1 4,17,22-23H,1-4H2,(H,25,2 6)(H2,16,18,19)/t7-,8+,10 +,11+,14+/m0/s1; KQFKHTAASHMYDJ-TWBCTODHSA-N |
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O C(=O)C4CCCN4)O)O)N; c1nc(c2c(n1)n(cn2)[C @H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O )OC(=O)[C@@H]4CCCN4)O)O)N; Nc1ncnc2n(cnc 12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)[C@@H ]4CCCN4)[C@@H](O)[C@H]3O; Nc1ncnc2n(cnc1 2)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CCCN 4)[CH](O)[CH]3O; O=P(OC(=O)C1NCCC1)(O)OC C4OC(n3cnc2c(ncnc23)N)C(O)C4O |
5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine; prolyl-adenylate |
| 37518 | PR9 ZINC000000391899 |
0 | C5 H10 N2 O | InChI=1S/C5H10N2O/c6-5(8) 4-2-1-3-7-4/h4,7H,1-3H2,( H2,6,8)/t4-/m1/s1; VLJNHYLEOZPXFW-SCSAIBSYSA-N |
NC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)N; C1C[C @@H](NC1)C(=O)N; NC(=O)[C@H]1CCCN1; O=C( N)C1NCCC1 |
D-PROLINAMIDE |
| 37519 | PRA CHEMBL276864 DB04410 ZINC000001561633 |
6 | C9 H13 N | InChI=1S/C9H13N/c10-8-4-7 -9-5-2-1-3-6-9/h1-3,5-6H, 4,7-8,10H2; LYUQWQRTDLVQGA-UHFFFAOYSA-N |
C(CCc1ccccc1)N; c1ccc(cc1)CCCN; NCCCc1cc ccc1 |
3-PHENYLPROPYLAMINE |
| 37520 | PRB CHEMBL1235429 DB04376 ZINC000013521034 |
1 | C22 H30 O7 | InChI=1S/C22H30O7/c1-10-6 -15-20(27,17(10)25)8-13(9 -23)7-14-16-19(4,5)22(16, 29-12(3)24)18(26)11(2)21( 14,15)28/h6-7,11,14-16,18 ,23,26-28H,8-9H2,1-5H3/t1 1-,14+,15-,16-,18-,20-,21 -,22-/m1/s1; SDSVJYOOAPRSDA-RPCQODIISA-N |
CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(= C3)CO)O)C)O)OC(=O)C)O; C[CH]1[CH](O)[C]2 (OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C =C(C)C4=O)[C]13O)C2(C)C; C[C@@H]1[C@@H]( O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@ @]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C; C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H ]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO) O)C)O)OC(=O)C)O; O=C1C(=CC2C3(O)C(C)C(O) C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C |
13-ACETYLPHORBOL |
| 37521 | PRC DB03878 ZINC000008656718 |
2 | C22 H18 N6 O | InChI=1S/C22H18N6O/c1-15- 6-7-18(26-21(29)17-5-3-10 -24-14-17)12-20(15)28-22- 25-11-8-19(27-22)16-4-2-9 -23-13-16/h2-14H,1H3,(H,2 6,29)(H,25,27,28); YWQVBESSYLICRX-UHFFFAOYSA-N |
Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cc cnc4; O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(c cn3)c4cccnc4; Cc1ccc(cc1Nc2nccc(n2)c3ccc nc3)NC(=O)c4cccnc4 |
N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE |
| 37522 | PRD CHEMBL32113 DB02583 |
1 | C17 H20 N6 O2 | InChI=1S/C17H20N6O2/c1-23 (9-10-6-12(24-2)4-5-14(10 )25-3)11-7-13-15(18)21-17 (19)22-16(13)20-8-11/h4-8 H,9H2,1-3H3,(H4,18,19,20, 21,22); HZTFNSCZLJLPEO-UHFFFAOYSA-N |
C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N )N; n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)ccc3O C)C; COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c 3c2)c1; CN(Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3 nc2)N)N |
N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE |
| 37523 | PRE DB08427 ZINC000100036740 |
31 | C10 H10 O6 | InChI=1S/C10H10O6/c11-6-1 -3-10(4-2-6,9(15)16)5-7(1 2)8(13)14/h1-4,6,11H,5H2, (H,13,14)(H,15,16)/t6-,10 +; FPWMCUPFBRFMLH-XGAOUMNUSA-N |
C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O; O[C@H ]1C=C[C@](CC(=O)C(O)=O)(C=C1)C(O)=O; OC1 C=CC(CC(=O)C(=O)O)(C=C1)C(=O)O; O[CH]1C= C[C](CC(=O)C(O)=O)(C=C1)C(O)=O |
PREPHENIC ACID |
| 37524 | PRF CHEMBL1235432 DB03304 ZINC000003869370 |
23 | C7 H9 N5 O | InChI=1S/C7H9N5O/c8-1-3-2 -10-5-4(3)6(13)12-7(9)11- 5/h2H,1,8H2,(H4,9,10,11,1 2,13); MEYMBLGOKYDGLZ-UHFFFAOYSA-N |
NCc1c[nH]c2N=C(N)NC(=O)c12; c1c(c2c([nH] 1)N=C(NC2=O)N)CN; O=C1c2c(cnc2N=C(N1)N)C N |
7-DEAZA-7-AMINOMETHYL-GUANINE |
| 37525 | PRH DB03015 |
6 | C10 H15 N4 O5 | InChI=1S/C10H14N4O5/c15-1 -4-6(16)7(17)10(19-4)14-3 -13-5-8(14)11-2-12-9(5)18 /h2-4,6-7,9-10,15-18H,1H2 ,(H,11,12)/p+1/t4-,6-,7-, 9+,10-/m1/s1; WGRXVKRHIMUTPD-YOHZANMFSA-O |
c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O 3)CO)O)O)N=CN[C@H]2O; OC[C@H]1O[C@H]([C@ H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23; OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO; c 1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O; O C[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH] (O)NC=Nc23 |
6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE |
| 37526 | PRI ZINC000005849612 |
4 | C5 H9 N O | InChI=1S/C5H9NO/c7-4-5-2- 1-3-6-5/h4-6H,1-3H2/t5-/m 0/s1; JIDDDPVQQUHACU-YFKPBYRVSA-N |
C1CC(NC1)C=O; O=C[CH]1CCCN1; C1C[C@H](NC 1)C=O; O=CC1NCCC1; O=C[C@@H]1CCCN1 |
PYRROLIDINE-2-CARBALDEHYDE; PROLINOL |
| 37527 | PRJ | 0 | C9 H15 N O3 | InChI=1S/C9H15NO3/c11-6-2 -1-5-3-8(9(12)13)10-7(5)4 -6/h5-8,10-11H,1-4H2,(H,1 2,13)/t5-,6+,7-,8-/m0/s1; LKYGWJKCHDDFLW-YWIQKCBGSA-N |
O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O; C1C[ C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O; O [C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O; O=C(O)C1NC2CC(O)CCC2C1; C1CC(CC2C1CC(N2) C(=O)O)O |
(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid |
| 37528 | PRK ZINC000013545298 |
0 | C9 H18 N2 O3 | InChI=1S/C9H18N2O3/c1-2-8 (12)11-6-4-3-5-7(10)9(13) 14/h7H,2-6,10H2,1H3,(H,11 ,12)(H,13,14)/t7-/m0/s1; PCANIHQHQYUJPY-ZETCQYMHSA-N |
CCC(=O)NCCCCC(C(=O)O)N; O=C(O)C(N)CCCCNC (=O)CC; CCC(=O)NCCCC[C@@H](C(=O)O)N; CCC (=O)NCCCC[CH](N)C(O)=O; CCC(=O)NCCCC[C@H ](N)C(O)=O |
N~6~-propanoyl-L-lysine; N(6)-Propionyllysine |
| 37529 | PRL CHEMBL55400 DB01123 ZINC000003775644 |
14 | C13 H11 N3 | InChI=1S/C13H11N3/c14-10- 3-1-8-5-9-2-4-11(15)7-13( 9)16-12(8)6-10/h1-7H,14-1 5H2; WDVSHHCDHLJJJR-UHFFFAOYSA-N |
n1c3c(cc2c1cc(N)cc2)ccc(c3)N; Nc1ccc2cc3 ccc(N)cc3nc2c1; c1cc(cc2c1cc3ccc(cc3n2)N )N |
PROFLAVIN |
| 37530 | PRM CHEMBL332935 DB02166 ZINC000000622264 |
3 | C27 H34 N4 | InChI=1S/C27H33N4/c1-4-31 (3,5-2)17-9-16-30-26-19-2 2(29)13-15-24(26)23-14-12 -21(28)18-25(23)27(30)20- 10-7-6-8-11-20/h6-8,10-15 ,18-19,29H,4-5,9,16-17,28 H2,1-3H3/q+1/p+1; ZDWVWKDAWBGPDN-UHFFFAOYSA-O |
CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c 1c4ccccc4)N)N; CC[N+](C)(CC)CCC[n+]1c2cc (N)ccc2c3ccc(N)cc3c1c4ccccc4; c4c3c1ccc( cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC) (CC)C)N |
3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM; PROPIDIUM |
| 37531 | PRN ZINC000033422238 |
0 | C10 H13 N4 O6 P | InChI=1S/C10H13N4O6P/c15- 7-1-9(20-8(7)3-19-21(16,1 7)18)14-5-13-6-2-11-4-12- 10(6)14/h2,4-5,7-9,15H,1, 3H2,(H2,16,17,18)/t7-,8+, 9+/m0/s1; OQIJGDJDESHELC-DJLDLDEBSA-N |
O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c nc3cncnc23; O=P(O)(O)OCC3OC(n2cnc1cncnc1 2)CC3O; c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([ C@H](O3)COP(=O)(O)O)O; O[CH]1C[CH](O[CH] 1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2c(ncn1 )n(cn2)C3CC(C(O3)COP(=O)(O)O)O |
PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE |
| 37532 | PRO CHEMBL54922 DB00172 ZINC000000895360 |
404 | C5 H9 N O2 | InChI=1S/C5H9NO2/c7-5(8)4 -2-1-3-6-4/h4,6H,1-3H2,(H ,7,8)/t4-/m0/s1; ONIBWKKTOPOVIA-BYPYZUCNSA-N |
C1C[C@H](NC1)C(=O)O; OC(=O)[C@@H]1CCCN1; OC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)O; O=C( O)C1NCCC1 |
PROLINE |
| 37533 | PRP CHEMBL1235437 DB01632 ZINC000008215630 |
209 | C5 H13 O14 P3 | InChI=1S/C5H13O14P3/c6-3- 2(1-16-20(8,9)10)17-5(4(3 )7)18-22(14,15)19-21(11,1 2)13/h2-7H,1H2,(H,14,15)( H2,8,9,10)(H2,11,12,13)/t 2-,3-,4-,5-/m1/s1; PQGCEDQWHSBAJP-TXICZTDVSA-N |
C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP( =O)(O)O; C([C@@H]1[C@H]([C@H]([C@H](O1)O [P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O; O [CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P ](O)(=O)O[P](O)(O)=O; O=P(OC1OC(C(O)C1O) COP(=O)(O)O)(O)OP(=O)(O)O; O[C@H]1[C@@H] (O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)( =O)O[P](O)(O)=O |
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose; ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID; 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose; 1-O-pyrophosphono-5-O-phosphono-D-ribose; 1-O-pyrophosphono-5-O-phosphono-ribose |
| 37534 | PRQ ZINC000000161426 |
0 | C9 H10 N2 O4 | InChI=1S/C9H10N2O4/c10-7( 5-9(12)13)6-3-1-2-4-8(6)1 1(14)15/h1-4,7H,5,10H2,(H ,12,13)/t7-/m0/s1; XXBOYULKNZTOMN-ZETCQYMHSA-N |
c1ccc(c(c1)C(CC(=O)O)N)[N+](=O)[O-]; c1c cc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]; N[ C@@H](CC(O)=O)c1ccccc1[N+]([O-])=O; N[CH ](CC(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+] (=O)c1ccccc1C(N)CC(=O)O |
(3S)-3-amino-3-(2-nitrophenyl)propanoic acid |
| 37535 | PRR ZINC000006933184 |
0 | C9 H13 N2 O2 | InChI=1S/C9H12N2O2/c1-11- 4-2-3-7(6-11)5-8(10)9(12) 13/h2-4,6,8H,5,10H2,1H3/p +1/t8-/m0/s1; KGWLTLVMGZDZJW-QMMMGPOBSA-O |
C[n+]1cccc(C[CH](N)C(O)=O)c1; C[n+]1cccc (C[C@H](N)C(O)=O)c1; C[n+]1cccc(c1)C[C@@ H](C(=O)O)N; C[n+]1cccc(c1)CC(C(=O)O)N; O=C(O)C(N)Cc1ccc[n+](c1)C |
3-(METHYL-PYRIDINIUM)ALANINE |
| 37536 | PRS CHEMBL1235440 DB02846 ZINC000000967473 |
7 | C4 H7 N O2 S | InChI=1S/C4H7NO2S/c6-4(7) 3-1-8-2-5-3/h3,5H,1-2H2,( H,6,7)/t3-/m0/s1; DZLNHFMRPBPULJ-VKHMYHEASA-N |
C1[C@H](NCS1)C(=O)O; OC(=O)[C@@H]1CSCN1; OC(=O)[CH]1CSCN1; O=C(O)C1NCSC1; C1C(NC S1)C(=O)O |
THIOPROLINE |
| 37537 | PRT | 6 | C15 H25 N5 O20 P4 | InChI=1S/C15H25N5O20P4/c1 6-12-7-13(18-4-19(12)14-1 0(23)8(21)5(37-14)1-35-41 (25,26)27)20(3-17-7)15-11 (24)9(22)6(38-15)2-36-43( 31,32)40-44(33,34)39-42(2 8,29)30/h3-6,8-11,14-16,2 1-24H,1-2H2,(H,31,32)(H,3 3,34)(H2,25,26,27)(H2,28, 29,30)/b16-12-/t5-,6-,8-, 9-,10-,11-,14-,15-/m1/s1; RKNHJBVBFHDXGR-DNVSJNHSSA-N |
[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]( [C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O )O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP (=O)(O)O)O)O; c1nc2c(n1C3C(C(C(O3)COP(=O )(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN(C2=N)C4 C(C(C(O4)COP(=O)(O)O)O)O; O[CH]1[CH](O)[ CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2= N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P] (O)(O)=O)[CH](O)[CH]4O; O[C@H]1[C@@H](O) [C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Nc3n(cn c3C2=N)[C@@H]4O[C@H](CO[P](O)(=O)O[P](O) (=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O |
PHOSPHORIBOSYL ATP ; [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
| 37538 | PRU ZINC000039958480 |
2 | C12 H18 O8 | InChI=1S/C12H18O8/c1-6(10 (15)16)4-8(12(19)20)5-7(1 1(17)18)2-3-9(13)14/h6-8H ,2-5H2,1H3,(H,13,14)(H,15 ,16)(H,17,18)(H,19,20)/t6 -,7-,8-/m1/s1; UEYGDIASMOPQFG-BWZBUEFSSA-N |
CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O; O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C; C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O )C(O)=O; C[C@H](C[C@H](C[C@@H](CCC(O)=O) C(O)=O)C(O)=O)C(O)=O; C[C@H](C[C@H](C[C@ @H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O |
(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid; Polyacrylic acid |
| 37539 | PRV ZINC000026894896 |
0 | C8 H8 N2 O4 | InChI=1S/C8H8N2O4/c9-7(8( 11)12)5-3-1-2-4-6(5)10(13 )14/h1-4,7H,9H2,(H,11,12) /t7-/m1/s1; CEBXNGWSHWJBHX-SSDOTTSWSA-N |
N[CH](C(O)=O)c1ccccc1[N+]([O-])=O; N[C@@ H](C(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+] (=O)c1ccccc1C(N)C(=O)O; c1ccc(c(c1)C(C(= O)O)N)[N+](=O)[O-]; c1ccc(c(c1)[C@H](C(= O)O)N)[N+](=O)[O-] |
(2R)-amino(2-nitrophenyl)ethanoic acid; 2-(NITRO)PHENYLGLYCINE |
| 37540 | PRW | 0 | C4 H9 N O4 | InChI=1S/C4H9NO4/c5-1-2(6 )3(7)4(8)9/h2-3,6-7H,1,5H 2,(H,8,9)/t2-,3-/m1/s1; WITVYMTUWTVRND-PWNYCUMCSA-N |
O=C(O)C(O)C(O)CN; C([C@H]([C@H](C(=O)O)O )O)N; NC[CH](O)[CH](O)C(O)=O; C(C(C(C(=O )O)O)O)N; NC[C@@H](O)[C@@H](O)C(O)=O |
(2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID |
| 37541 | PRX DB03230 ZINC000015894146 |
31 | C13 H20 N5 O7 P | InChI=1S/C13H20N5O7P/c1-2 -3-23-26(21,22)24-4-7-9(1 9)10(20)13(25-7)18-6-17-8 -11(14)15-5-16-12(8)18/h5 -7,9-10,13,19-20H,2-4H2,1 H3,(H,21,22)(H2,14,15,16) /t7-,9-,10-,13-/m1/s1; XAMXMSZRQHPMRX-QYVSTXNMSA-N |
CCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N) O)O; CCCO[P](O)(=O)OC[C@H]1O[C@H]([C@H]( O)[C@@H]1O)n2cnc3c(N)ncnc23; OC1C(OC(COP (=O)(O)OCCC)C1O)n2cnc3c2ncnc3N; CCCO[P@@ ](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n 2cnc3c2ncnc3N)O)O; CCCO[P](O)(=O)OC[CH]1 O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 |
ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER; ADENOSINE-5'-PROPYLPHOSPHATE |
| 37542 | PRY DB02970 ZINC000002039219 |
1 | C9 H13 N | InChI=1S/C9H13N/c1-2-5-8- 6-3-4-7-9(8)10/h3-4,6-7H, 2,5,10H2,1H3; WKURVXXDGMYSDP-UHFFFAOYSA-N |
CCCc1ccccc1N; Nc1ccccc1CCC | 2-PROPYL-ANILINE |
| 37543 | PRZ CHEMBL97355 DB04512 ZINC000000156517 |
8 | C9 H14 N2 O | InChI=1S/C9H14N2O/c1-7(2) 6-8-9(12-3)11-5-4-10-8/h4 -5,7H,6H2,1-3H3; UXFSPRAGHGMRSQ-UHFFFAOYSA-N |
O(c1nccnc1CC(C)C)C; CC(C)Cc1c(nccn1)OC; COc1nccnc1CC(C)C |
2-ISOBUTYL-3-METHOXYPYRAZINE |
| 37544 | PS0 DB08428 |
0 | C10 H15 N O | InChI=1S/C10H15NO/c1-8(12 )10(11)7-9-5-3-2-4-6-9/h2 -6,8,10,12H,7,11H2,1H3/t8 -,10-/m0/s1; SMZUMFSKQVVOOV-WPRPVWTQSA-N |
CC(C(Cc1ccccc1)N)O; C[C@@H]([C@H](Cc1ccc cc1)N)O; C[CH](O)[CH](N)Cc1ccccc1; OC(C( N)Cc1ccccc1)C; C[C@H](O)[C@@H](N)Cc1cccc c1 |
3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL |
| 37545 | PS1 | 3 | C26 H49 N O10 P | InChI=1S/C26H50NO10P/c1-3 -5-7-9-11-13-15-17-24(28) 34-19-22(20-35-38(32,33)3 6-21-23(27)26(30)31)37-25 (29)18-16-14-12-10-8-6-4- 2/h22-23H,3-21,27H2,1-2H3 ,(H,30,31)(H,32,33)/p-1/t 22-,23+/m1/s1; LRIPXDCMGANCAE-PKTZIBPZSA-M |
CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[ C@H](N)C(O)=O)OC(=O)CCCCCCCCC; O=C(OCC(O C(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O )CCCCCCCCC; CCCCCCCCCC(=O)OCC(COP(=O)([O -])OCC(C(=O)O)N)OC(=O)CCCCCCCCC; CCCCCCC CCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C( O)=O)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)OC[C @H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC (=O)CCCCCCCCC |
1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE] |
| 37546 | PS2 ZINC000150345151 |
1 | C40 H76 Br2 N O10 P | InChI=1S/C40H76Br2NO10P/c 1-3-5-7-9-11-12-13-14-15- 16-17-21-25-29-38(44)50-3 1-34(32-51-54(48,49)52-33 -37(43)40(46)47)53-39(45) 30-26-22-18-20-24-28-36(4 2)35(41)27-23-19-10-8-6-4 -2/h34-37H,3-33,43H2,1-2H 3,(H,46,47)(H,48,49)/t34- ,35+,36+,37+/m1/s1; HQCXPRBKTHCWQI-HQPLKVBUSA-N |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)( O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H]( [C@H](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(= O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC CCC(C(CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(= O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O) OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC ; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)C CCCCCCCCCCCCCC)CCCCCCCC(Br)C(Br)CCCCCCCC ; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )OC[CH](N)C(O)=O)OC(=O)CCCCCCC[CH](Br)[C H](Br)CCCCCCCC |
O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-3-(PALMITOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE; DIBROMINATED PHOSPHATIDYLSERINE; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT) |
| 37547 | PS4 CHEMBL564249 DB08429 ZINC000039279922 |
2 | C23 H28 Cl N3 O4 S | InChI=1S/C23H28ClN3O4S/c1 -32(30,31)21-9-3-6-17(13- 21)23(29)26-15-20-8-4-10- 27(20)22(28)14-19(25)12-1 6-5-2-7-18(24)11-16/h2-3, 5-7,9,11,13,19-20H,4,8,10 ,12,14-15,25H2,1H3,(H,26, 29)/t19-,20+/m1/s1; QRGBOABBMKYMLG-UXHICEINSA-N |
CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C (=O)C[C@@H](Cc3cccc(c3)Cl)N; C[S](=O)(=O )c1cccc(c1)C(=O)NC[CH]2CCCN2C(=O)C[CH](N )Cc3cccc(Cl)c3; C[S](=O)(=O)c1cccc(c1)C( =O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc3cccc(C l)c3; CS(=O)(=O)c1cccc(c1)C(=O)NCC2CCCN2 C(=O)CC(Cc3cccc(c3)Cl)N; O=C(N1CCCC1CNC( =O)c2cccc(c2)S(=O)(=O)C)CC(N)Cc3cccc(Cl) c3 |
N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide |
| 37548 | PS5 DB02956 |
7 | S5 | InChI=1S/H2S5/c1-3-5-4-2/ h1-2H/p-2; FBNHIFPJXGPDIP-UHFFFAOYSA-L |
[S-]SSS[S-] | PENTASULFIDE-SULFUR |
| 37549 | PS6 ZINC000058649698 |
12 | C26 H50 N O10 P | InChI=1S/C26H50NO10P/c1-3 -5-7-8-9-10-11-12-13-14-1 6-17-24(28)34-19-22(37-25 (29)18-15-6-4-2)20-35-38( 32,33)36-21-23(27)26(30)3 1/h22-23H,3-21,27H2,1-2H3 ,(H,30,31)(H,32,33)/t22-, 23+/m0/s1; HXSPCZGHXODQMW-XZOQPEGZSA-N |
CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O )OC[C@H](C(=O)O)N)OC(=O)CCCCC; CCCCCCCCC CCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H]( N)C(O)=O)OC(=O)CCCCC; CCCCCCCCCCCCCC(=O) OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC; CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[ CH](N)C(O)=O)OC(=O)CCCCC; O=C(OC(COP(=O) (OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCC CC |
O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine |
| 37550 | PS7 ZINC000030724760 |
7 | C30 H52 O7 P2 | InChI=1S/C30H52O7P2/c1-23 (2)13-9-15-25(5)17-11-18- 27(7)21-28-29(22-36-39(34 ,35)37-38(31,32)33)30(28, 8)20-12-19-26(6)16-10-14- 24(3)4/h13-14,17,19,21,28 -29H,9-12,15-16,18,20,22H 2,1-8H3,(H,34,35)(H2,31,3 2,33)/b25-17+,26-19+,27-2 1+/t28-,29-,30-/m1/s1; ATZKAUGGNMSCCY-VVFNRDJMSA-N |
CC(C)=CCCC(C)=CCCC(C)=C[CH]1[CH](CO[P](O )(=O)O[P](O)(O)=O)[C]1(C)CCC=C(C)CCC=C(C )C; CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C @]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O) OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(/C)=C/CCC (/C)=C/[C@@H]1[C@@H](CO[P](O)(=O)O[P](O) (O)=O)[C@]1(C)CC\C=C(/C)CCC=C(C)C; CC(=C CCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)C OP(=O)(O)OP(=O)(O)O)C)C)C |
{(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate |
| 37551 | PS8 CHEMBL1951293 ZINC000082156492 |
1 | C21 H24 Cl2 N6 O2 S | InChI=1S/C21H24Cl2N6O2S/c 1-13-20(14(2)28(3)26-13)2 7-32(30,31)21-17(22)10-16 (11-18(21)23)15-4-5-19(25 -12-15)29-8-6-24-7-9-29/h 4-5,10-12,24,27H,6-9H2,1- 3H3; HOIAFTVGAXSASA-UHFFFAOYSA-N |
Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c 3ccc(nc3)N4CCNCC4)Cl; Clc3cc(c1ccc(nc1)N 2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C ; Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl) c3ccc(nc3)N4CCNCC4)c1C |
2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE |
| 37552 | PS9 CHEMBL1235452 DB09353 |
19 | S8 | InChI=1S/S8/c1-2-4-6-8-7- 5-3-1; JLQNHALFVCURHW-UHFFFAOYSA-N |
S1SSSSSSS1 | octathiocane |
| 37553 | PSA ZINC000002526314 |
0 | C11 H15 N O3 | InChI=1S/C11H15NO3/c12-9( 10(13)7-11(14)15)6-8-4-2- 1-3-5-8/h1-5,9-10,13H,6-7 ,12H2,(H,14,15)/t9-,10-/m 0/s1; JAJQQUQHMLWDFB-UWVGGRQHSA-N |
O=C(O)CC(O)C(N)Cc1ccccc1; N[CH](Cc1ccccc 1)[CH](O)CC(O)=O; N[C@@H](Cc1ccccc1)[C@@ H](O)CC(O)=O; c1ccc(cc1)C[C@@H]([C@H](CC (=O)O)O)N; c1ccc(cc1)CC(C(CC(=O)O)O)N |
3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID |
| 37554 | PSB CHEMBL297273 DB03231 ZINC000013559921 |
1 | C25 H21 N7 O3 S | InChI=1S/C25H21N7O3S/c26- 25-28-22-21(24(35)29-25)3 0-32(31-22)18-9-5-8-15(12 -18)23(34)27-13-16-6-1-3- 10-19(16)36-20-11-4-2-7-1 7(20)14-33/h1-12,33H,13-1 4H2,(H,27,34)(H3,26,28,29 ,31,35); IXDQOBDHBWEZOH-UHFFFAOYSA-N |
O=C(NCc2ccccc2Sc1ccccc1CO)c3cc(ccc3)n4nc 5nc(nc(O)c5n4)N; Nc1nc(O)c2nn(nc2n1)c3cc cc(c3)C(=O)NCc4ccccc4Sc5ccccc5CO; c1ccc( c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O) N)Sc5ccccc5CO |
3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE |
| 37555 | PSC ZINC000098209319 |
14 | C42 H81 N O8 P | InChI=1S/C42H80NO8P/c1-6- 8-10-12-14-16-18-20-21-23 -25-27-29-31-33-35-42(45) 51-40(39-50-52(46,47)49-3 7-36-43(3,4)5)38-48-41(44 )34-32-30-28-26-24-22-19- 17-15-13-11-9-7-2/h14,16, 20-21,40H,6-13,15,17-19,2 2-39H2,1-5H3/p+1/b16-14+, 21-20-/t40-/m1/s1; JLPULHDHAOZNQI-AUSZDXHESA-O |
CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O CC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/C/C=C/CCCCC)C OP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N +](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC; CCC CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O CC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCC C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O) (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C =C/CCCCC |
(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE; PHOSPHATIDYLCHOLINE; 2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE |
| 37556 | PSD | 0 | C15 H22 N7 O7 P | InChI=1S/C15H22N7O7P/c16- 12-9-13(19-5-18-12)22(6-2 0-9)15-11(24)10(23)8(29-1 5)4-28-30(26,27)21-14(25) 7-2-1-3-17-7/h5-8,10-11,1 5,17,23-24H,1-4H2,(H2,16, 18,19)(H2,21,25,26,27)/t7 -,8+,10+,11+,15+/m0/s1; BIVNOVXAWQKFMF-JVEUSOJLSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O) O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]( O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; c1 nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(=O )C4CCCN4)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H] 3O[C@H](CO[P@@](O)(=O)NC(=O)[C@@H]4CCCN4 )[C@@H](O)[C@H]3O; O=C(NP(=O)(O)OCC3OC(n 2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4 |
5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE |
| 37557 | PSE | 4 | C3 H10 N O5 P | InChI=1S/C3H10NO5P/c4-3(1 -5)2-9-10(6,7)8/h3,5H,1-2 ,4H2,(H2,6,7,8)/t3-/m1/s1; WDWYJNPKBKWDBL-GSVOUGTGSA-N |
C(C(COP(=O)(O)O)N)O; O=P(O)(O)OCC(N)CO; C([C@H](COP(=O)(O)O)N)O; N[CH](CO)CO[P]( O)(O)=O; N[C@H](CO)CO[P](O)(O)=O |
O-PHOSPHOETHANOLAMINE |
| 37558 | PSF | 41 | C18 H34 N O10 P | InChI=1S/C18H34NO10P/c1-3 -5-7-9-16(20)26-11-14(29- 17(21)10-8-6-4-2)12-27-30 (24,25)28-13-15(19)18(22) 23/h14-15H,3-13,19H2,1-2H 3,(H,22,23)(H,24,25)/t14- ,15+/m1/s1; MIQYPPGTNIFAPO-CABCVRRESA-N |
CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N )C(O)=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(= O)(O)OCC(C(=O)O)N)OC(=O)CCCCC; CCCCCC(=O )OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(= O)CCCCC; CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[ C@@H](C(=O)O)N)OC(=O)CCCCC; O=C(OC(COP(= O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC |
1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE; PHOSPHATIDYLSERINE |
| 37559 | PSG CHEMBL1235458 DB08430 ZINC000013520501 |
2 | C12 H15 N O7 S | InChI=1S/C12H15NO7S/c14-5 -8-9(15)10(16)11(17)12(20 -8)21-7-3-1-6(2-4-7)13(18 )19/h1-4,8-12,14-17H,5H2/ t8-,9-,10+,11-,12+/m1/s1; IXFOBQXJWRLXMD-ZIQFBCGOSA-N |
OC[CH]1O[CH](Sc2ccc(cc2)[N+]([O-])=O)[CH ](O)[CH](O)[CH]1O; [O-][N+](=O)c2ccc(SC1 OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[N+](=O) [O-])SC2C(C(C(C(O2)CO)O)O)O; OC[C@H]1O[C @@H](Sc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@ @H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-])SC 2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
4-nitrophenyl 1-thio-beta-D-glucopyranoside; PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE; 4-nitrophenyl 1-thio-beta-D-glucoside; 4-nitrophenyl 1-thio-D-glucoside; 4-nitrophenyl 1-thio-glucoside |
| 37560 | PSH | 0 | C6 H10 N3 O4 P S | InChI=1S/C6H10N3O4PS/c7-5 (6(10)11)1-4-2-9(3-8-4)14 (12,13)15/h2-3,5H,1,7H2,( H,10,11)(H2,12,13,15)/t5- /m0/s1; CGXKMFUQMXYWIF-YFKPBYRVSA-N |
O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O; N[C@@H](C c1cn(cn1)[P@@](O)(S)=O)C(O)=O; c1c(ncn1P (=O)(O)S)CC(C(=O)O)N; c1c(ncn1[P@@](=O)( O)S)C[C@@H](C(=O)O)N; N[CH](Cc1cn(cn1)[P ](O)(S)=O)C(O)=O |
1-thiophosphono-L-histidine |
| 37561 | PSI CHEMBL49004 DB04191 ZINC000003935186 |
5 | C29 H47 N5 O7 | InChI=1S/C29H47N5O7/c1-16 (2)24(28(39)34-25(17(3)4) 29(40)41-7)33-23(36)14-13 -22(35)21(15-20-11-9-8-10 -12-20)32-27(38)19(6)31-2 6(37)18(5)30/h8-12,16-19, 21-22,24-25,35H,13-15,30H 2,1-7H3,(H,31,37)(H,32,38 )(H,33,36)(H,34,39)/t18-, 19-,21-,22-,24-,25-/m0/s1; IUDCAKKZLXFOQA-QJAPXLAMSA-N |
COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[C H](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N )C(C)C)C(C)C; C[C@@H](C(=O)N[C@@H](C)C(= O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H] (C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N; C OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H]( O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C @H](C)N)C(C)C)C(C)C; O=C(OC)C(NC(=O)C(NC (=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccc cc1)C(C)C)C(C)C; CC(C)C(C(=O)NC(C(C)C)C( =O)OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC (=O)C(C)N)O |
methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate; SKF 107457 |
| 37562 | PSJ CHEMBL1235460 DB15087 ZINC000005132035 |
56 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3(9 )5(11)6(12)4(10)2-8/h3,5- 9,11-12H,1-2H2/t3-,5-,6+/ m1/s1; BJHIKXHVCXFQLS-PUFIMZNGSA-N |
C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O; OC[ C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO; O=C(C (O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)O) O; OC[CH](O)[CH](O)[CH](O)C(=O)CO |
D-psicose |
| 37563 | PSK DB08431 ZINC000053683157 |
2 | C7 H15 O4 P | InChI=1S/C7H15O4P/c1-3-6( 8)5(2)7(9)4-12(10)11/h5-6 ,8,12H,3-4H2,1-2H3,(H,10, 11)/t5-,6+/m1/s1; UXHVQAJQXZWLAW-RITPCOANSA-N |
CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O; O =C(C(C(O)CC)C)CP(=O)O; CCC(C(C)C(=O)CP(= O)O)O; CC[CH](O)[CH](C)C(=O)C[PH](O)=O; CC[C@H](O)[C@@H](C)C(=O)C[P@H](O)=O |
[(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID |
| 37564 | PSL | 4 | O7 S2 | InChI=1S/H2O7S2/c1-8(2,3) 7-9(4,5)6/h(H,1,2,3)(H,4, 5,6)/p-2; VFNGKCDDZUSWLR-UHFFFAOYSA-L |
[O-]S(=O)(=O)OS(=O)(=O)[O-]; [O-][S](=O) (=O)O[S]([O-])(=O)=O; [O-]S(=O)(=O)OS([O -])(=O)=O |
PYROSULFATE |
| 37565 | PSM DB04767 ZINC000012504502 |
1 | C20 H33 N5 O5 S2 | InChI=1S/C20H33N5O5S2/c1- 4-11-32(29,30)25-17(13(2) 26)20(28)24-16(9-10-31-3) 19(27)23-12-14-5-7-15(8-6 -14)18(21)22/h5-8,13,16-1 7,25-26H,4,9-12H2,1-3H3,( H3,21,22)(H,23,27)(H,24,2 8)/t13-,16-,17+/m0/s1; AIIJKVORRBMJHS-RRQGHBQHSA-N |
CCC[S](=O)(=O)N[CH]([CH](C)O)C(=O)N[CH]( CCSC)C(=O)NCc1ccc(cc1)C(N)=N; CCC[S](=O) (=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C (=O)NCc1ccc(cc1)C(N)=N; CCCS(=O)(=O)NC(C (C)O)C(=O)NC(CCSC)C(=O)NCc1ccc(cc1)C(=N) N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C (=[N@H])N)CCSC)C(O)C)CCC; CCCS(=O)(=O)N[ C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NC c1ccc(cc1)C(=N)N |
N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE; N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID |
| 37566 | PSN CHEMBL148630 DB03078 ZINC000012503012 |
1 | C14 H13 O5 P | InChI=1S/C14H13O5P/c15-10 -13-8-4-5-9-14(13)19-20(1 6,17)18-11-12-6-2-1-3-7-1 2/h1-10H,11H2,(H,16,17); PWDTUFYQEUEVQD-UHFFFAOYSA-N |
c1ccc(cc1)COP(=O)(O)Oc2ccccc2C=O; O[P](= O)(OCc1ccccc1)Oc2ccccc2C=O; c1ccc(cc1)CO [P@@](=O)(O)Oc2ccccc2C=O; O=P(OCc1ccccc1 )(Oc2ccccc2C=O)O; O[P@](=O)(OCc1ccccc1)O c2ccccc2C=O |
BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE; PASBN |
| 37567 | PSO ZINC000000057349 |
0 | C15 H14 O4 | InChI=1S/C15H14O4/c1-7-4- 13(17)19-14-8(2)15-11(5-1 0(7)14)12(6-16)9(3)18-15/ h4-5,16H,6H2,1-3H3; RGJSDHXSAKMPNM-UHFFFAOYSA-N |
O=C3Oc2c(c1oc(c(c1cc2C(=C3)C)CO)C)C; Cc1 c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO; Cc1oc2 c(C)c3OC(=O)C=C(C)c3cc2c1CO |
4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN |
| 37568 | PSP CHEMBL32778 ZINC000016970567 |
0 | C15 H18 N4 O2 | InChI=1S/C15H16N4O2/c20-1 6-12-14-2-8-18(9-3-14)6-1 -7-19-10-4-15(5-11-19)13- 17-21/h2-5,8-13H,1,6-7H2/ p+2; LJYGXPCCGGSATE-UHFFFAOYSA-P |
O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc 2; c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO ; c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=N O; ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1 ; O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O) cc1 |
1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME |
| 37569 | PSQ DB02965 |
3 | C5 H15 N4 O6 P S | InChI=1S/C5H15N4O6PS/c6-4 (5(10)11)2-1-3-8-16(7,12) 9-17(13,14)15/h4H,1-3,6H2 ,(H,10,11)(H,13,14,15)(H4 ,7,8,9,12)/t4-,16+/m0/s1; MDGVOXPIIICZEK-FOIQGAMDSA-N |
C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O; C(C [C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O ; N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O) C(O)=O; N[CH](CCCN[P](N)(=O)N[S](O)(=O)= O)C(O)=O; O=P(NCCCC(C(=O)O)N)(NS(=O)(=O) O)N |
NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE |
| 37570 | PSR ZINC000031976806 |
4 | C15 H29 N2 O8 P S | InChI=1S/C15H29N2O8PS/c1- 4-5-12(19)27-9-8-16-11(18 )6-7-17-14(21)13(20)15(2, 3)10-25-26(22,23)24/h13,2 0H,4-10H2,1-3H3,(H,16,18) (H,17,21)(H2,22,23,24)/t1 3-/m1/s1; PZIQDUSGQUZEBS-CYBMUJFWSA-N |
CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O )(O)O)O; CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O )C(C)(C)CO[P](O)(O)=O; CCCC(=O)SCCNC(=O) CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; O =C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O )O)CCC; CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C (C)(C)COP(=O)(O)O)O |
THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER |
| 37571 | PSS DB03090 |
0 | C17 H24 N2 O3 | InChI=1S/C17H24N2O3/c1-2- 3-9-15(17(21)22)19-11-10- 18-14(16(19)20)12-13-7-5- 4-6-8-13/h4-8,14-15,18H,2 -3,9-12H2,1H3,(H,21,22)/t 14-,15+/m1/s1; XGTNRXVUBSVMCM-CABCVRRESA-N |
CCCCC(C(=O)O)N1CCNC(C1=O)Cc2ccccc2; CCCC [C@H](N1CCN[C@H](Cc2ccccc2)C1=O)C(O)=O; O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC; CC CC[CH](N1CCN[CH](Cc2ccccc2)C1=O)C(O)=O; CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2cc ccc2 |
(2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid |
| 37572 | PST DB08432 |
4 | C10 H15 N2 O7 P S | InChI=1S/C10H15N2O7PS/c1- 5-3-12(10(15)11-9(5)14)8- 2-6(13)7(19-8)4-18-20(16, 17)21/h3,6-8,13H,2,4H2,1H 3,(H,11,14,15)(H2,16,17,2 1)/t6-,7+,8+/m0/s1; OJRKJKYGUAALCJ-XLPZGREQSA-N |
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2 )COP(=S)(O)O)O; CC1=CN(C(=O)NC1=O)C2CC(C (O2)COP(=S)(O)O)O; CC1=CN([CH]2C[CH](O)[ CH](CO[P](O)(O)=S)O2)C(=O)NC1=O; O=C1NC( =O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O; CC1= CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=S)O 2)C(=O)NC1=O |
THYMIDINE-5'-THIOPHOSPHATE |
| 37573 | PSU DB03829 ZINC000004095566 |
5 | C9 H13 N2 O9 P | InChI=1S/C9H13N2O9P/c12-5 -4(2-19-21(16,17)18)20-7( 6(5)13)3-1-10-9(15)11-8(3 )14/h1,4-7,12-13H,2H2,(H2 ,16,17,18)(H2,10,11,14,15 )/t4-,5-,6-,7+/m1/s1; MOBMOJGXNHLLIR-GBNDHIKLSA-N |
O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C 2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N1)[C@H] 2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O) (O)=O)C2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N 1)C2C(C(C(O2)COP(=O)(O)O)O)O |
PSEUDOURIDINE-5'-MONOPHOSPHATE |
| 37574 | PSV | 8 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4-,5-,6 +/m1/s1; RFSUNEUAIZKAJO-KAZBKCHUSA-N |
C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O) O; OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)( CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O )O; OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1 O |
alpha-D-psicofuranose; alpha-D-psicose; D-psicose; psicose |
| 37575 | PSW | 0 | C3 H7 N O2 S Se | InChI=1S/C3H7NO2SSe/c4-2( 1-8-7)3(5)6/h2,7H,1,4H2,( H,5,6)/t2-/m0/s1; SPXWFQKISDCWEH-REOHCLBHSA-N |
N[C@@H](C[Se]S)C(O)=O; C([C@@H](C(=O)O)N )[Se]S; O=C(O)C(N)C[Se]S; N[CH](C[Se]S)C (O)=O; C(C(C(=O)O)N)[Se]S |
3-(SULFANYLSELANYL)-L-ALANINE |
| 37576 | PSX ZINC000038792230 |
2 | C7 H17 O5 P | InChI=1S/C7H17O5P/c1-3-6( 8)5(2)7(9)4-13(10,11)12/h 5-9H,3-4H2,1-2H3,(H2,10,1 1,12)/t5-,6+,7-/m1/s1; SBJOFBHUNGKURT-DSYKOEDSSA-N |
CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O; CC[C@H](O)[C@@H](C)[C@H](O)C[P](O)(O)=O ; CCC(C(C)C(CP(=O)(O)O)O)O; CC[CH](O)[CH ](C)[CH](O)C[P](O)(O)=O; O=P(O)(O)CC(O)C (C(O)CC)C |
[(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID |
| 37577 | PSY DB08433 ZINC000002167094 |
2 | C8 H8 O3 S | InChI=1S/C8H8O3S/c1-2-12( 9,10)11-8-6-4-3-5-7-8/h2- 7H,1H2; CILDJVVXNMDAGY-UHFFFAOYSA-N |
C=C[S](=O)(=O)Oc1ccccc1; C=CS(=O)(=O)Oc1 ccccc1; O=S(=O)(Oc1ccccc1)\C=C |
phenyl ethenesulfonate |
| 37578 | PSZ ZINC000034553600 |
15 | C13 H15 N2 O7 P S | InChI=1S/C13H15N2O7PS/c1- 7-12(16)10(8(3-14-7)5-22- 23(19,20)21)4-15-9-2-11(1 3(17)18)24-6-9/h2-3,6,15- 16H,4-5H2,1H3,(H,17,18)(H 2,19,20,21); SUKBSASAEROGCJ-UHFFFAOYSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O )O)O; Cc1ncc(CO[P](O)(O)=O)c(CNc2csc(c2) C(O)=O)c1O; O=P(O)(O)OCc1c(c(O)c(nc1)C)C Nc2cc(sc2)C(=O)O |
4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID |
| 37579 | PT | 23 | Pt | InChI=1S/Pt/q+2; HRGDZIGMBDGFTC-UHFFFAOYSA-N |
[Pt++]; [Pt+2] | PLATINUM (II) ION |
| 37580 | PT0 ZINC000098209321 |
0 | C9 H20 N O4 P | InChI=1S/C9H20NO4P/c1-4-1 4-9(11)6-15(12,13)8(10)5- 7(2)3/h7-8H,4-6,10H2,1-3H 3,(H,12,13)/t8-/m1/s1; SJWYOBZTQADRCY-MRVPVSSYSA-N |
CCOC(=O)CP(=O)(C(CC(C)C)N)O; O=P(O)(C(N) CC(C)C)CC(=O)OCC; CCOC(=O)C[P](O)(=O)[CH ](N)CC(C)C; CCOC(=O)C[P](O)(=O)[C@@H](N) CC(C)C; CCOC(=O)C[P@](=O)([C@H](CC(C)C)N )O |
(R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid |
| 37581 | PT1 CHEMBL341824 DB04196 ZINC000006628789 |
21 | C14 H12 N6 O3 | InChI=1S/C14H12N6O3/c15-1 4-19-11-10(12(21)20-14)18 -9(6-17-11)5-16-8-3-1-7(2 -4-8)13(22)23/h1-4,6,16H, 5H2,(H,22,23)(H3,15,17,19 ,20,21); JOAQINSXLLMRCV-UHFFFAOYSA-N |
Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1; c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O ; O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N |
PTEROIC ACID |
| 37582 | PT2 | 0 | C14 H14 N4 Pt | InChI=1S/C12H8N2.C2H6N2.P t/c1-3-9-5-6-10-4-2-8-14- 12(10)11(9)13-7-1;3-1-2-4 ;/h1-8H;3-4H,1-2H2;/q;-2; +4; ZHOUVMJPJJXSDV-UHFFFAOYSA-N |
c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5 ; c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCC N5; C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c 5c34 |
[ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+) |
| 37583 | PT3 DB03390 ZINC000002043169 |
5 | C7 H13 N O5 | InChI=1S/C7H13NO5/c1-2-3- 8-6(11)4(9)5(10)7(12)13/h 4-5,9-10H,2-3H2,1H3,(H,8, 11)(H,12,13)/t4-,5-/m1/s1; LNEZKQHJUNIZIS-RFZPGFLSSA-N |
CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O; CCCNC( =O)C(C(C(=O)O)O)O; CCCNC(=O)[CH](O)[CH]( O)C(O)=O; CCCNC(=O)[C@H](O)[C@@H](O)C(O) =O; O=C(NCCC)C(O)C(O)C(=O)O |
N-PROPYL-TARTRAMIC ACID |
| 37584 | PT4 | 0 | Pt | InChI=1S/Pt/q+4; NDBYXKQCPYUOMI-UHFFFAOYSA-N |
[Pt+4] | PLATINUM (IV) ION |
| 37585 | PT5 | 200 | C47 H85 O19 P3 | InChI=1S/C47H85O19P3/c1-3 -5-7-9-11-13-15-17-19-20- 22-24-26-28-30-32-34-36-4 1(49)63-39(37-61-40(48)35 -33-31-29-27-25-23-21-18- 16-14-12-10-8-6-4-2)38-62 -69(59,60)66-45-42(50)43( 51)46(64-67(53,54)55)47(4 4(45)52)65-68(56,57)58/h1 1,13,17,19,22,24,28,30,39 ,42-47,50-52H,3-10,12,14- 16,18,20-21,23,25-27,29,3 1-38H2,1-2H3,(H,59,60)(H2 ,53,54,55)(H2,56,57,58)/b 13-11?,19-17?,24-22-,30-2 8?/t39-,42-,43+,44+,45-,4 6-,47-/m1/s1; CNWINRVXAYPOMW-HJBQCNPJSA-N |
CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O )O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[ CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=C CC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC (COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP( =O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCC C; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O )(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P] (O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(= O)CCC\C=C/C\C=C/C/C=C/CC=CCCCCC; CCCCCCC CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H] 1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(= O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\ CC=CCC=CCCCCC |
[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate; Phosphatidylinositol 4,5-bisphosphate; PtdIns(4,5)P2 |
| 37586 | PT6 CHEMBL488937 DB12347 ZINC000016696900 |
14 | C19 H20 N2 O2 S | InChI=1S/C19H20N2O2S/c1-1 4-15(4-2-6-18(14)20)13-21 -9-7-16(12-19(21)22)23-10 -8-17-5-3-11-24-17/h2-7,9 ,11-12H,8,10,13,20H2,1H3; YCLREGRRHGLOAK-UHFFFAOYSA-N |
Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3; O =C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C; Cc 1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3 |
1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one |
| 37587 | PT7 | 6 | C29 H23 Cl N P Pt | InChI=1S/C18H15P.C11H8N.C lH.Pt/c1-4-10-16(11-5-1)1 9(17-12-6-2-7-13-17)18-14 -8-3-9-15-18;1-2-6-10(7-3 -1)11-8-4-5-9-12-11;;/h1- 15H;1-6,8-9H;1H;/q;;;+2; KHJLZDWNJSEPIZ-UHFFFAOYSA-N |
c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4 (c5ccccc5C6=CC=CC=[N]64)Cl; Cl[Pt++]c1cc ccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5cccc c5; [Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4cc ccc4)(c5ccccc5)c6ccccc6 |
chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+); PtII(2-phenylpyridine)(tri-phenylphosphine)Cl |
| 37588 | PT9 | 0 | C20 H16 N6 Pt | InChI=1S/C20H16N6.Pt/c1-3 -13-21-17(9-1)25-19-11-5- 7-15(23-19)16-8-6-12-20(2 4-16)26-18-10-2-4-14-22-1 8;/h1-14H,(H,21,23,25)(H, 22,24,26);; ZLWQJMSFYZEZJF-UHFFFAOYSA-N |
C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6 =CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2; [Pt].N (c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3 |
[Pt(H2bapbpy)] platinum |
| 37589 | PTA ZINC000006358149 |
0 | C7 H16 N O4 P | InChI=1S/C7H16NO4P/c1-5(2 )3-6(8)13(11,12)4-7(9)10/ h5-6H,3-4,8H2,1-2H3,(H,9, 10)(H,11,12)/t6-/m1/s1; QLKPCHBADCFRHB-ZCFIWIBFSA-N |
CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O; CC(C) CC(N)P(=O)(CC(=O)O)O; CC(C)C[CH](N)[P](O )(=O)CC(O)=O; CC(C)C[C@H](N)[P](O)(=O)CC (O)=O; O=C(O)CP(=O)(O)C(N)CC(C)C |
[(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PHOSPHINOYL]-ACETIC ACID |
| 37590 | PTB CHEMBL403772 DB03833 ZINC000005950679 |
1 | C11 H17 N3 O2 | InChI=1S/C11H17N3O2/c1-11 (2,3)10-14-13-9(16-10)8(1 5)7-5-4-6-12-7/h7,12H,4-6 H2,1-3H3/t7-/m0/s1; YUKGJYBQODPVBL-ZETCQYMHSA-N |
CC(C)(C)c1oc(nn1)C(=O)[CH]2CCCN2; CC(C)( C)c1oc(nn1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1 nnc(o1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1nnc( o1)C(=O)C2CCCN2; O=C(c1nnc(o1)C(C)(C)C)C 2NCCC2 |
(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE; 2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE |
| 37591 | PTC DB08434 |
0 | C12 H14 N O7 P | InChI=1S/C12H14NO7P/c1-13 -11(14)9-8(10(9)12(15)16) 6-2-4-7(5-3-6)20-21(17,18 )19/h2-5,8-10H,1H3,(H,13, 14)(H,15,16)(H2,17,18,19) /t8-,9+,10+/m0/s1; GIIUHKRUTUSHAB-IVZWLZJFSA-N |
CNC(=O)C1C(C1C(=O)O)c2ccc(cc2)OP(=O)(O)O ; CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2cc c(cc2)OP(=O)(O)O; CNC(=O)[CH]1[CH]([CH]1 c2ccc(O[P](O)(O)=O)cc2)C(O)=O; O=C(NC)C2 C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O; CNC(=O) [C@H]1[C@@H]([C@H]1c2ccc(O[P](O)(O)=O)cc 2)C(O)=O |
2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID |
| 37592 | PTD CHEMBL1235482 DB03266 ZINC000001729593 |
47 | C5 H8 O2 | InChI=1S/C5H8O2/c6-4-2-1- 3-5-7/h4-5H,1-3H2; SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
C(CC=O)CC=O; O=CCCCC=O | PENTANEDIAL |
| 37593 | PTE | 13 | C20 H22 Mg N10 O14 P2 S4 W | InChI=1S/2C10H14N5O6PS2.M g.2H2O.W/c2*11-10-14-7-4( 8(16)15-10)12-3-6(24)5(23 )2(21-9(3)13-7)1-20-22(17 ,18)19;;;;/h2*2-3,9,12,23 -24H,1H2,(H2,17,18,19)(H4 ,11,13,14,15,16);;2*1H2;/ q;;+4;;;+4/p-8/t2*2-,3+,9 -;;;;/m11..../s1; DYJJSYQWWQOQKE-MAAILCHMSA-F |
O.O.NC1=NC2=C(N[CH]3[CH](N2)O[CH]4CO[P]( O)(=O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C (N[CH]6C8=C5S[W]9(SC4=C3S9)S8)C(=O)NC(=N 7)N)C(=O)N1; C1C2C3=C(C4C(O2)NC5=C(N4)C( =O)NC(=N5)N)S[W]6(S3)SC7=C(S6)C8C(NC9=C( N8)C(=O)NC(=N9)N)OC7COP(=O)(O[Mg](OP(=O) (O1)O)([O])[O])O; O.O.NC1=NC2=C(N[C@@H]3 [C@H](N2)O[C@@H]4CO[P](O)(=O)O[Mg]O[P](O )(=O)OC[C@H]5O[C@H]6NC7=C(N[C@H]6C8=C5S[ W]9(SC4=C3S9)S8)C(=O)NC(=N7)N)C(=O)N1; C 1[C@@H]2C3=C([C@H]4[C@@H](O2)NC5=C(N4)C( =O)NC(=N5)N)S[W]6(S3)SC7=C(S6)[C@H]8[C@H ](NC9=C(N8)C(=O)NC(=N9)N)O[C@@H]7COP(=O) (O[Mg](OP(=O)(O1)O)([O])[O])O |
TUNGSTOPTERIN COFACTOR |
| 37594 | PTF | 0 | C8 H10 S | InChI=1S/C8H10S/c1-9-7-8- 5-3-2-4-6-8/h2-6H,7H2,1H3; OFQPKKGMNWASPN-UHFFFAOYSA-N |
CSCc1ccccc1; sulfide | [(METHYLSULFANYL)METHYL]BENZENE |
| 37595 | PTG CHEMBL1210221 DB08435 ZINC000038139032 |
7 | C20 H28 O3 | InChI=1S/C20H28O3/c1-2-3- 4-5-6-10-13-18-17(15-16-1 9(18)21)12-9-7-8-11-14-20 (22)23/h6-7,9-10,13,15-17 H,2-5,8,11-12,14H2,1H3,(H ,22,23)/b9-7+,10-6+,18-13 -/t17-/m0/s1; VHRUMKCAEVRUBK-XOVNXQNQSA-N |
CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(= O)O; CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O) =O)C=CC/1=O; O=C\1C=CC(C/1=C\C=C\CCCCC)C /C=C/CCCC(=O)O; CCCCCC=CC=C1[CH](CC=CCCC C(O)=O)C=CC1=O; CCCCCC=CC=C1C(C=CC1=O)CC =CCCCC(=O)O |
(5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid; 15-deoxy-delta(12,14)-prostaglandin J2 |
| 37596 | PTH ZINC000033423088 |
0 | C10 H14 N O7 P | InChI=1S/C10H14NO7P/c11-8 (10(13)14)4-6-1-2-9(7(3-6 )5-12)18-19(15,16)17/h1-3 ,8,12H,4-5,11H2,(H,13,14) (H2,15,16,17)/t8-/m0/s1; QPZIXFGNLVEBKM-QMMMGPOBSA-N |
N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O ; c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O; c 1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O; N[C@@H](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O )=O; O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O |
CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE |
| 37597 | PTI DB04471 ZINC000005934385 |
1 | C28 H32 N2 O2 | InChI=1S/C28H32N2O2/c31-2 5-11-14-27-23(21-25)15-18 -30(24-7-3-1-4-8-24)28(27 )22-9-12-26(13-10-22)32-2 0-19-29-16-5-2-6-17-29/h1 ,3-4,7-14,21,28,31H,2,5-6 ,15-20H2/t28-/m1/s1; FMWVCTJKLAVRPB-MUUNZHRXSA-N |
Oc1ccc2[CH](N(CCc2c1)c3ccccc3)c4ccc(OCCN 5CCCCC5)cc4; c1ccc(cc1)N2CCc3cc(ccc3[C@H ]2c4ccc(cc4)OCCN5CCCCC5)O; O(c1ccc(cc1)C 4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5; c1c cc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)OCCN5CCC CC5)O; Oc1ccc2[C@H](N(CCc2c1)c3ccccc3)c4 ccc(OCCN5CCCCC5)cc4 |
2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL |
| 37598 | PTJ ZINC000098209322 |
4 | C16 H25 N5 O13 P2 | InChI=1S/C16H25N5O13P2/c1 -16(2,4-32-35(26,27)28)11 (24)15(25)34-36(29,30)31- 3-7-9(22)10(23)14(33-7)21 -6-20-8-12(17)18-5-19-13( 8)21/h5-7,9-11,14,22-24H, 3-4H2,1-2H3,(H,29,30)(H2, 17,18,19)(H2,26,27,28)/t7 -,9-,10-,11+,14-/m1/s1; OMCOLJSEXCHENT-FSRKKXLISA-N |
CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)O[P](O)( =O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N) ncnc23; CC(C)(CO[P](O)(O)=O)[C@@H](O)C(= O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@ H]1O)n2cnc3c(N)ncnc23; O=P(O)(O)OCC(C)(C )C(O)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12 )N)C(O)C3O; CC(C)(COP(=O)(O)O)C(C(=O)OP( =O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O; CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)O C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc nc3N)O)O)O |
5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine |
| 37599 | PTK ZINC000004262432 |
1 | C16 H10 O12 S4 | InChI=1S/C16H10O12S4/c17- 29(18,19)11-5-13(31(23,24 )25)9-3-4-10-14(32(26,27) 28)6-12(30(20,21)22)8-2-1 -7(11)15(9)16(8)10/h1-6H, (H,17,18,19)(H,20,21,22)( H,23,24,25)(H,26,27,28); CZLSHVQVNDDHDQ-UHFFFAOYSA-N |
O[S](=O)(=O)c1cc(c2ccc3c4c(ccc1c24)c(cc3 [S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O; c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O) S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O; O=S(=O )(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O )O)S(=O)(=O)O)S(=O)(=O)O |
pyrene-1,3,6,8-tetrasulfonic acid; 1,3,6,8-pyrenetetrasulfonic acid |
| 37600 | PTL CHEMBL18602 DB01919 ZINC000001667603 |
4 | C5 H10 O | InChI=1S/C5H10O/c1-2-3-4- 5-6/h5H,2-4H2,1H3; HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
CCCCC=O; O=CCCCC | PENTANAL |