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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 16201 | A1I2N | 1 | C10 H11 N3 O | InChI=1S/C10H11N3O/c11-8- 9-2-1-3-12-10(9)13-4-6-14 -7-5-13/h1-3H,4-7H2; QCXHZQXRAOOEQL-UHFFFAOYSA-N |
c1cc(c(nc1)N2CCOCC2)C#N; N#Cc1cccnc1N2CC OCC2 |
2-morpholin-4-ylpyridine-3-carbonitrile |
| 16202 | A1I2O CHEMBL1872813 |
1 | C8 H7 N3 O | InChI=1S/C8H7N3O/c12-8-10 -9-6-11(8)7-4-2-1-3-5-7/h 1-6H,(H,10,12); UYVVGXZLFHZTKT-UHFFFAOYSA-N |
O=C1NN=CN1c2ccccc2; c1ccc(cc1)N2C=NNC2=O | 4-phenyl-1~{H}-1,2,4-triazol-5-one |
| 16203 | A1I2P | 2 | C6 H10 N2 O3 S | InChI=1S/C6H10N2O3S/c1-4- 6(5(2)11-8-4)12(9,10)7-3/ h7H,1-3H3; PBAHROBCZQANJL-UHFFFAOYSA-N |
Cc1c(c(on1)C)S(=O)(=O)NC; CN[S](=O)(=O)c 1c(C)onc1C |
~{N},3,5-trimethyl-1,2-oxazole-4-sulfonamide |
| 16204 | A1I2R | 2 | C6 H4 F3 N O | InChI=1S/C6H4F3NO/c7-6(8, 9)4-1-2-10-5(11)3-4/h2-3H ,1H2; MCBOVFPFJJVOJG-UHFFFAOYSA-N |
C1C=NC(=O)C=C1C(F)(F)F; FC(F)(F)C1=CC(=O )N=CC1 |
4-(trifluoromethyl)-3~{H}-pyridin-6-one |
| 16205 | A1I2S | 4 | C8 H9 N3 | InChI=1S/C8H9N3/c9-5-7-6- 11-4-2-1-3-8(11)10-7/h1-4 ,6H,5,9H2; GBRIYMLJYQLICB-UHFFFAOYSA-N |
NCc1cn2ccccc2n1; c1ccn2cc(nc2c1)CN | imidazo[1,2-a]pyridin-2-ylmethanamine |
| 16206 | A1I2T | 2 | C7 H10 N2 O2 | InChI=1S/C7H10N2O2/c1-4-6 (7(10)11-3)5(2)9-8-4/h1-3 H3,(H,8,9); HYULAOVKUFWMCB-UHFFFAOYSA-N |
Cc1c(c(n[nH]1)C)C(=O)OC; COC(=O)c1c(C)[n H]nc1C |
methyl 3,5-dimethyl-1~{H}-pyrazole-4-carboxylate |
| 16207 | A1I2U | 4 | C7 H14 N2 O | InChI=1S/C7H14N2O/c1-8-7( 10)6-4-2-3-5-9-6/h6,9H,2- 5H2,1H3,(H,8,10)/t6-/m0/s 1; OHSDIYRKGMNZBC-LURJTMIESA-N |
CNC(=O)[C@@H]1CCCCN1; CNC(=O)C1CCCCN1; C NC(=O)[CH]1CCCCN1 |
(2~{S})-~{N}-methylpiperidine-2-carboxamide |
| 16208 | A1I2W | 1 | C6 H11 N O3 | InChI=1S/C6H11NO3/c1-2-4- 3-5(6(8)9)10-7-4/h4-5,7H, 2-3H2,1H3,(H,8,9)/t4-,5+/ m1/s1; HBSFCNAXHUPGHJ-UHNVWZDZSA-N |
CCC1CC(ON1)C(=O)O; CC[CH]1C[CH](ON1)C(O) =O; CC[C@@H]1C[C@H](ON1)C(O)=O; CC[C@@H] 1C[C@H](ON1)C(=O)O |
(3~{R},5~{S})-3-ethyl-1,2-oxazolidine-5-carboxylic acid |
| 16209 | A1I2X | 1 | C7 H9 N | InChI=1S/C7H9N/c1-6-3-4-8 -5-7(6)2/h3-5H,1-2H3; NURQLCJSMXZBPC-UHFFFAOYSA-N |
Cc1ccncc1C | 3,4-dimethylpyridine |
| 16210 | A1I2Z | 1 | C5 H5 F3 N2 | InChI=1S/C5H5F3N2/c1-3-9- 2-4(10-3)5(6,7)8/h2H,1H3, (H,9,10); UTUSYSDVLOWRJA-UHFFFAOYSA-N |
Cc1[nH]cc(n1)C(F)(F)F | 2-methyl-4-(trifluoromethyl)-1~{H}-imidazole |
| 16211 | A1I30 | 1 | C13 H18 O7 | InChI=1S/C13H18O7/c1-3-7( 14)4-5-8(15)11-12(17)9(20 -13(11)18)6-10(16)19-2/h7 ,9,14,17H,3-6H2,1-2H3/t7- ,9?/m0/s1; BVYHCZYOLBHTEM-JAVCKPHESA-N |
CC[C@@H](CCC(=O)C1=C([C@@H](OC1=O)CC(=O) OC)O)O; CC[CH](O)CCC(=O)C1=C(O)[CH](CC(= O)OC)OC1=O; CCC(CCC(=O)C1=C(C(OC1=O)CC(= O)OC)O)O; CC[C@H](O)CCC(=O)C1=C(O)[C@H]( CC(=O)OC)OC1=O |
methyl 2-[(2~{S})-3-oxidanyl-4-[(4~{S})-4-oxidanylhexanoyl]-5-oxidanylidene-2~{H}-furan-2-yl]ethanoate |
| 16212 | A1I31 | 1 | C12 H16 O7 | InChI=1S/C12H16O7/c1-2-6( 13)3-4-7(14)10-11(17)8(5- 9(15)16)19-12(10)18/h6,8, 13,17H,2-5H2,1H3,(H,15,16 )/t6-,8?/m1/s1; QYBGYGPJRPVKOX-XPJFZRNWSA-N |
CC[CH](O)CCC(=O)C1=C(O)[CH](CC(O)=O)OC1= O; CCC(CCC(=O)C1=C(C(OC1=O)CC(=O)O)O)O; CC[C@@H](O)CCC(=O)C1=C(O)[C@@H](CC(O)=O) OC1=O; CC[C@@H](CCC(=O)C1=C([C@@H](OC1=O )CC(=O)O)O)O |
2-[(2~{S})-3-oxidanyl-4-[(4~{S})-4-oxidanylhexanoyl]-5-oxidanylidene-2~{H}-furan-2-yl]ethanoic acid |
| 16213 | A1I32 | 1 | C11 H9 Cl N2 O2 | InChI=1S/C11H9ClN2O2/c12- 6-11(16)14-9-5-10(15)13-8 -4-2-1-3-7(8)9/h1-5H,6H2, (H2,13,14,15,16); WCDQYUZFGMSWLL-UHFFFAOYSA-N |
c1ccc2c(c1)C(=CC(=O)N2)NC(=O)CCl; ClCC(= O)NC1=CC(=O)Nc2ccccc12 |
2-chloranyl-~{N}-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanamide |
| 16214 | A1I33 | 1 | C11 H9 Cl N2 O2 | InChI=1S/C11H9ClN2O2/c12- 6-10(15)14-8-2-1-7-3-4-13 -11(16)9(7)5-8/h1-5H,6H2, (H,13,16)(H,14,15); CNQKHKKYWFUYKT-UHFFFAOYSA-N |
ClCC(=O)Nc1ccc2C=CNC(=O)c2c1; c1cc2c(cc1 NC(=O)CCl)C(=O)NC=C2 |
2-chloranyl-~{N}-(1-oxidanylidene-2~{H}-isoquinolin-7-yl)ethanamide |
| 16215 | A1I34 | 2 | C27 H25 N5 O2 | InChI=1S/C27H25N5O2/c33-2 6(21-10-5-2-6-11-21)28-23 -13-7-12-22(18-23)27(34)3 2-16-14-20(15-17-32)25-29 -24(30-31-25)19-8-3-1-4-9 -19/h1-13,18,20H,14-17H2, (H,28,33)(H,29,30,31); PMGKFAXGJYRVER-UHFFFAOYSA-N |
O=C(Nc1cccc(c1)C(=O)N2CCC(CC2)c3[nH]c(nn 3)c4ccccc4)c5ccccc5; c1ccc(cc1)c2[nH]c(n n2)C3CCN(CC3)C(=O)c4cccc(c4)NC(=O)c5cccc c5 |
~{N}-[3-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]carbonylphenyl]benzamide |
| 16216 | A1I3A | 2 | C10 H12 N2 O | InChI=1S/C10H12N2O/c11-9- 6-7-12(10(9)13)8-4-2-1-3- 5-8/h1-5,9H,6-7,11H2/t9-/ m0/s1; CLKQZOVQZNETMH-VIFPVBQESA-N |
c1ccc(cc1)N2CC[C@@H](C2=O)N; c1ccc(cc1)N 2CCC(C2=O)N; N[CH]1CCN(C1=O)c2ccccc2; N[ C@H]1CCN(C1=O)c2ccccc2 |
(3~{S})-3-azanyl-1-phenyl-pyrrolidin-2-one |
| 16217 | A1I3B | 4 | C7 H15 N | InChI=1S/C7H15N/c1-6-4-7( 2,3)8-5-6/h6,8H,4-5H2,1-3 H3/t6-/m1/s1; AJMDMNYTTSGFEL-ZCFIWIBFSA-N |
CC1CC(NC1)(C)C; C[C@@H]1CC(NC1)(C)C; C[C H]1CNC(C)(C)C1; C[C@H]1CNC(C)(C)C1 |
(4~{R})-2,2,4-trimethylpyrrolidine |
| 16218 | A1I3C | 1 | C8 H10 N2 O | InChI=1S/C8H10N2O/c1-7(11 )10(2)8-5-3-4-6-9-8/h3-6H ,1-2H3; BZZNKJYSPFIPGX-UHFFFAOYSA-N |
CC(=O)N(C)c1ccccn1; CN(C(C)=O)c1ccccn1 | ~{N}-methyl-~{N}-pyridin-2-yl-ethanamide |
| 16219 | A1I3D | 2 | C9 H7 N O3 | InChI=1S/C9H7NO3/c11-8-4- 6-3-5(9(12)13)1-2-7(6)10- 8/h1-3H,4H2,(H,10,11)(H,1 2,13); LLLKBUWXODIMEW-UHFFFAOYSA-N |
OC(=O)c1ccc2NC(=O)Cc2c1; c1cc2c(cc1C(=O) O)CC(=O)N2 |
2-oxidanylidene-1,3-dihydroindole-5-carboxylic acid |
| 16220 | A1I3E | 2 | C9 H8 O2 | InChI=1S/C9H8O2/c10-9-8-4 -2-1-3-7(8)5-6-11-9/h1-4H ,5-6H2; XVTAQSGZOGYIEY-UHFFFAOYSA-N |
c1ccc2c(c1)CCOC2=O; O=C1OCCc2ccccc12 | 3,4-dihydroisochromen-1-one |
| 16221 | A1I3F | 2 | C5 H6 Cl N3 | InChI=1S/C5H6ClN3/c6-4-2- 8-5(1-7)9-3-4/h2-3H,1,7H2; HLLBMNORHOVEHX-UHFFFAOYSA-N |
NCc1ncc(Cl)cn1; c1c(cnc(n1)CN)Cl | (5-chloranylpyrimidin-2-yl)methanamine |
| 16222 | A1I3G CHEMBL146188 |
0 | C9 H10 Cl N | InChI=1S/C9H10ClN/c10-9-3 -1-2-7-4-5-11-6-8(7)9/h1- 3,11H,4-6H2; HQSAGIBNZOOQQL-UHFFFAOYSA-N |
c1cc2c(c(c1)Cl)CNCC2; Clc1cccc2CCNCc12 | 8-chloranyl-1,2,3,4-tetrahydroisoquinoline |
| 16223 | A1I3H | 1 | C7 H10 O3 | InChI=1S/C7H10O3/c1-7(2)3 -5(8)10-6(9)4-7/h3-4H2,1- 2H3; HIJQFTSZBHDYKW-UHFFFAOYSA-N |
CC1(CC(=O)OC(=O)C1)C; CC1(C)CC(=O)OC(=O) C1 |
4,4-dimethyloxane-2,6-dione |
| 16224 | A1I3I | 5 | C8 H12 N2 O | InChI=1S/C8H12N2O/c1-2-7- 11-8(4-1)10-6-3-5-9-10/h3 ,5-6,8H,1-2,4,7H2/t8-/m1/ s1; IMZWSOSYNFVECD-MRVPVSSYSA-N |
C1CC[C@@H](OC1)n2cccn2; c1cnn(c1)[C@H]2C CCCO2; c1cnn(c1)C2CCCCO2; C1CC[CH](OC1)n 2cccn2 |
1-[(2~{R})-oxan-2-yl]pyrazole |
| 16225 | A1I3J CHEMBL403608 |
3 | C10 H11 N3 O | InChI=1S/C10H11N3O/c14-8- 10-7-13(12-11-10)6-9-4-2- 1-3-5-9/h1-5,7,14H,6,8H2; SXNXKULRKDCYLM-UHFFFAOYSA-N |
c1ccc(cc1)Cn2cc(nn2)CO; OCc1cn(Cc2ccccc2 )nn1 |
[1-(phenylmethyl)-1,2,3-triazol-4-yl]methanol |
| 16226 | A1I3K | 2 | C7 H7 N O3 | InChI=1S/C7H7NO3/c1-11-6- 5(7(9)10)3-2-4-8-6/h2-4H, 1H3,(H,9,10); FTEZJSXSARPZHJ-UHFFFAOYSA-N |
COc1ncccc1C(O)=O; COc1c(cccn1)C(=O)O | 2-methoxypyridine-3-carboxylic acid |
| 16227 | A1I3L | 2 | C8 H6 N2 O S | InChI=1S/C8H6N2OS/c11-8-1 0-7(5-12-8)6-2-1-3-9-4-6/ h1-5H,(H,10,11); LMYBMQXKKKIWQE-UHFFFAOYSA-N |
c1cc(cnc1)C2=CSC(=O)N2; O=C1NC(=CS1)c2cc cnc2 |
4-pyridin-3-yl-3~{H}-1,3-thiazol-2-one |
| 16228 | A1I3M | 1 | C5 H11 N O2 S | InChI=1S/C5H11NO2S/c1-6-4 -2-3-5-9(6,7)8/h2-5H2,1H3; ANVUCPZCQYCSTF-UHFFFAOYSA-N |
CN1CCCC[S]1(=O)=O; CN1CCCCS1(=O)=O | 2-methyl-1,2-thiazinane 1,1-dioxide |
| 16229 | A1I3N CHEMBL3944729 |
1 | C9 H8 N2 O | InChI=1S/C9H8N2O/c12-8-3- 1-7(2-4-8)9-10-5-6-11-9/h 1-6,12H,(H,10,11); DIBXSCRTXGVRFD-UHFFFAOYSA-N |
Oc1ccc(cc1)c2[nH]ccn2; c1cc(ccc1c2[nH]cc n2)O |
4-(1~{H}-imidazol-2-yl)phenol |
| 16230 | A1I3O | 2 | C13 H18 N2 | InChI=1S/C13H18N2/c14-10- 12-5-4-6-13(9-12)11-15-7- 2-1-3-8-15/h4-6,9-10,14H, 1-3,7-8,11H2/b14-10-; DXDRUYCRDQGOTK-UVTDQMKNSA-N |
N=Cc1cccc(CN2CCCCC2)c1; [H]/N=C\c1cccc(c 1)CN2CCCCC2; c1cc(cc(c1)C=N)CN2CCCCC2 |
[3-(piperidin-1-ylmethyl)phenyl]methanimine |
| 16231 | A1I3P | 2 | C4 H5 N S | InChI=1S/C4H5NS/c1-4-5-2- 3-6-4/h2-3H,1H3; VZWOXDYRBDIHMA-UHFFFAOYSA-N |
Cc1nccs1; Cc1sccn1 | 2-methyl-1,3-thiazole |
| 16232 | A1I3R | 2 | C9 H15 N O | InChI=1S/C9H15NO/c1-7-2-4 -9(5-3-7)6-8(11)10-9/h7H, 2-6H2,1H3,(H,10,11)/t7-,9 -; XBPDQBWCZIJYGA-XWEPSHTISA-N |
C[C@@H]1CC[C@@]2(CC1)CC(=O)N2; CC1CCC2(C C1)CC(=O)N2; C[CH]1CC[C]2(CC1)CC(=O)N2 |
7-methyl-1-azaspiro[3.5]nonan-2-one |
| 16233 | A1I3S | 2 | C9 H10 O2 S | InChI=1S/C9H10O2S/c10-9(1 1)7-5-12-8-4-2-1-3-6(7)8/ h5H,1-4H2,(H,10,11); TUZZQEHPGHKGRJ-UHFFFAOYSA-N |
c1c(c2c(s1)CCCC2)C(=O)O; OC(=O)c1csc2CCC Cc12 |
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| 16234 | A1I3T | 1 | C7 H3 N O3 | InChI=1S/C7H3NO3/c9-6-4-1 -2-8-3-5(4)7(10)11-6/h1-3 H; KFKMGUPDWTWQFM-UHFFFAOYSA-N |
O=C1OC(=O)c2cnccc12; c1cncc2c1C(=O)OC2=O | furo[3,4-c]pyridine-1,3-dione |
| 16235 | A1I3U | 1 | C8 H14 N2 O2 | InChI=1S/C8H14N2O2/c1-6(1 1)10-4-2-7(3-5-10)8(9)12/ h7H,2-5H2,1H3,(H2,9,12); NWZYRRPOEASODK-UHFFFAOYSA-N |
CC(=O)N1CCC(CC1)C(N)=O; CC(=O)N1CCC(CC1) C(=O)N |
1-ethanoylpiperidine-4-carboxamide |
| 16236 | A1I3V | 1 | C12 H22 N2 O | InChI=1S/C12H22N2O/c1-8-5 -9-6-13-7-10(9)14(8)11(15 )12(2,3)4/h8-10,13H,5-7H2 ,1-4H3; CYHXMDGVHQPUBV-UHFFFAOYSA-N |
C[C@H]1C[C@@H]2CNC[C@@H]2N1C(=O)C(C)(C)C ; CC1CC2CNCC2N1C(=O)C(C)(C)C; C[CH]1C[CH ]2CNC[CH]2N1C(=O)C(C)(C)C |
1-[(2~{S},3~{a}~{R},6~{a}~{R})-2-methyl-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-pyrrolo[3,4-b]pyrrol-1-yl]-2,2-dimethyl-propan-1-one |
| 16237 | A1I3W | 1 | C40 H47 N7 O6 | InChI=1S/C40H47N7O6/c1-44 -17-19-46(20-18-44)30-14- 12-29(13-15-30)42-39(50)3 4-22-27(25-45(34)2)26-8-1 0-28(11-9-26)41-37(48)7-5 -21-53-36-24-32-31(23-35( 36)52-3)40(51)47-16-4-6-3 3(47)38(49)43-32/h8-15,22 -25,33,38,43,49H,4-7,16-2 1H2,1-3H3,(H,41,48)(H,42, 50)/t33-,38-/m0/s1; FFFKAOLHZVTKGH-BAOFOTJISA-N |
Cn1cc(cc1C(=O)Nc2ccc(cc2)N3CCN(CC3)C)c4c cc(cc4)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCC [C@H]7[C@@H](N6)O; COc1cc2C(=O)N3CCC[CH] 3[CH](O)Nc2cc1OCCCC(=O)Nc4ccc(cc4)c5cn(C )c(c5)C(=O)Nc6ccc(cc6)N7CCN(C)CC7; Cn1cc (cc1C(=O)Nc2ccc(cc2)N3CCN(CC3)C)c4ccc(cc 4)NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C(N 6)O; COc1cc2C(=O)N3CCC[C@H]3[C@H](O)Nc2c c1OCCCC(=O)Nc4ccc(cc4)c5cn(C)c(c5)C(=O)N c6ccc(cc6)N7CCN(C)CC7 |
4-[4-[4-[[(6S,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrole-2-carboxamide |
| 16238 | A1I3X | 1 | C40 H47 N7 O6 | InChI=1S/C40H47N7O6/c1-44 -17-19-46(20-18-44)30-14- 12-29(13-15-30)42-39(50)3 4-22-27(25-45(34)2)26-8-1 0-28(11-9-26)41-37(48)7-5 -21-53-36-24-32-31(23-35( 36)52-3)40(51)47-16-4-6-3 3(47)38(49)43-32/h8-15,22 -25,33,38,43,49H,4-7,16-2 1H2,1-3H3,(H,41,48)(H,42, 50)/t33-,38+/m0/s1; FFFKAOLHZVTKGH-MLZZNZMKSA-N |
COc1cc2C(=O)N3CCC[CH]3[CH](O)Nc2cc1OCCCC (=O)Nc4ccc(cc4)c5cn(C)c(c5)C(=O)Nc6ccc(c c6)N7CCN(C)CC7; Cn1cc(cc1C(=O)Nc2ccc(cc2 )N3CCN(CC3)C)c4ccc(cc4)NC(=O)CCCOc5cc6c( cc5OC)C(=O)N7CCC[C@H]7[C@H](N6)O; Cn1cc( cc1C(=O)Nc2ccc(cc2)N3CCN(CC3)C)c4ccc(cc4 )NC(=O)CCCOc5cc6c(cc5OC)C(=O)N7CCCC7C(N6 )O; COc1cc2C(=O)N3CCC[C@H]3[C@@H](O)Nc2c c1OCCCC(=O)Nc4ccc(cc4)c5cn(C)c(c5)C(=O)N c6ccc(cc6)N7CCN(C)CC7 |
4-[4-[4-[[(6R,6aS)-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrole-2-carboxamide |
| 16239 | A1I3Y | 2 | C25 H28 N4 O2 | InChI=1S/C25H28N4O2/c1-25 (2)21-9-8-20(16-19(21)12- 15-31-25)24(30)29-13-10-1 8(11-14-29)23-26-22(27-28 -23)17-6-4-3-5-7-17/h3-9, 16,18H,10-15H2,1-2H3,(H,2 6,27,28); ICLJOLOALCFSFR-UHFFFAOYSA-N |
CC1(C)OCCc2cc(ccc12)C(=O)N3CCC(CC3)c4[nH ]nc(n4)c5ccccc5; CC1(c2ccc(cc2CCO1)C(=O) N3CCC(CC3)c4[nH]nc(n4)c5ccccc5)C |
(1,1-dimethyl-3,4-dihydroisochromen-6-yl)-[4-(3-phenyl-1~{H}-1,2,4-triazol-5-yl)piperidin-1-yl]methanone |
| 16240 | A1I3Z | 2 | C24 H25 N7 O S | InChI=1S/C24H25N7OS/c1-33 -16-20-15-31(29-26-20)21- 9-5-8-19(14-21)24(32)30-1 2-10-18(11-13-30)23-25-22 (27-28-23)17-6-3-2-4-7-17 /h2-9,14-15,18H,10-13,16H 2,1H3,(H,25,27,28); VSSLSCGRULXQAG-UHFFFAOYSA-N |
CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[ nH]c(nn4)c5ccccc5 |
[3-[4-(methylsulfanylmethyl)-1,2,3-triazol-1-yl]phenyl]-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]methanone |
| 16241 | A1I41 | 1 | C22 H26 F N O3 S2 | InChI=1S/C22H26FNO3S2/c1- 28-20-13-17(23)9-11-18(20 )16-8-10-19(21(12-16)29(2 ,26)27)22(25)24-14-15-6-4 -3-5-7-15/h8-13,15H,3-7,1 4H2,1-2H3,(H,24,25); SQLMHOPYTBPHSH-UHFFFAOYSA-N |
CSc1cc(ccc1c2ccc(c(c2)S(=O)(=O)C)C(=O)NC C3CCCCC3)F; CSc1cc(F)ccc1c2ccc(C(=O)NCC3 CCCCC3)c(c2)[S](C)(=O)=O |
~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide |
| 16242 | A1I43 | 2 | H14 O37 P12 | InChI=1S/H14O37P12/c1-38( 2,3)27-40(7,8)29-42(11,12 )31-44(15,16)33-46(19,20) 35-48(23,24)37-49(25,26)3 6-47(21,22)34-45(17,18)32 -43(13,14)30-41(9,10)28-3 9(4,5)6/h(H,7,8)(H,9,10)( H,11,12)(H,13,14)(H,15,16 )(H,17,18)(H,19,20)(H,21, 22)(H,23,24)(H,25,26)(H2, 1,2,3)(H2,4,5,6); NXLWQEGXNVMZEN-UHFFFAOYSA-N |
O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O) (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O )O[P](O)(O)=O; OP(=O)(O)OP(=O)(O)OP(=O)( O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP (=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O) (O)O |
dodecaphosphate |
| 16243 | A1I44 | 0 | C16 H24 N2 O4 | InChI=1S/C16H24N2O4/c1-11 -13(9-19)18-10-15(2,20)16 (21,22-11)14(17)8-12-6-4- 3-5-7-12/h3-7,9,11,13-14, 18,20-21H,8,10,17H2,1-2H3 /t11-,13-,14+,15-,16+/m1/ s1; HWQFJOMNBYFMMA-JZYAIQKZSA-N |
C[C@H]1O[C@@](O)([C@@H](N)Cc2ccccc2)[C@] (C)(O)CN[C@@H]1C=O; C[C@@H]1[C@H](NC[C@@ ]([C@@](O1)([C@H](Cc2ccccc2)N)O)(C)O)C=O ; CC1C(NCC(C(O1)(C(Cc2ccccc2)N)O)(C)O)C= O; C[CH]1O[C](O)([CH](N)Cc2ccccc2)[C](C) (O)CN[CH]1C=O |
(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-2-phenyl-ethyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde |
| 16244 | A1I45 | 3 | C17 H13 N3 O2 | InChI=1S/C17H13N3O2/c21-1 2-8-4-7-11-14(12)15-16(18 -11)19-13(20-17(15)22)9-1 0-5-2-1-3-6-10/h1-8,21H,9 H2,(H2,18,19,20,22); HYNXJMDEJSMHIV-UHFFFAOYSA-N |
c1ccc(cc1)CC2=NC(=O)c3c4c(cccc4O)[nH]c3N 2; Oc1cccc2[nH]c3NC(=NC(=O)c3c12)Cc4cccc c4 |
5-oxidanyl-2-(phenylmethyl)-1,9-dihydropyrimido[4,5-b]indol-4-one |
| 16245 | A1I46 | 1 | C28 H35 N5 O4 | InChI=1S/C28H35N5O4/c1-31 -12-14-32(15-13-31)21-9-7 -20(8-10-21)30-27(34)6-4- 16-37-26-18-24-23(17-25(2 6)36-2)28(35)33-11-3-5-22 (33)19-29-24/h7-10,17-19, 22H,3-6,11-16H2,1-2H3,(H, 30,34); JXQXXIXJPNRKQK-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(cc2)NC(=O)CCCOc3cc4c(cc 3OC)C(=O)N5CCC[C@H]5C=N4; CN1CCN(CC1)c2c cc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCC C5C=N4; COc1cc2C(=O)N3CCC[C@H]3C=Nc2cc1O CCCC(=O)Nc4ccc(cc4)N5CCN(C)CC5; COc1cc2C (=O)N3CCC[CH]3C=Nc2cc1OCCCC(=O)Nc4ccc(cc 4)N5CCN(C)CC5 |
4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]butanamide |
| 16246 | A1I47 | 5 | C28 H37 N5 O5 | InChI=1S/C28H37N5O5/c1-31 -12-14-32(15-13-31)20-9-7 -19(8-10-20)29-26(34)6-4- 16-38-25-18-22-21(17-24(2 5)37-2)28(36)33-11-3-5-23 (33)27(35)30-22/h7-10,17- 18,23,27,30,35H,3-6,11-16 H2,1-2H3,(H,29,34)/t23-,2 7-/m0/s1; YIRFQMMIJFIHKS-HOFKKMOUSA-N |
COc1cc2C(=O)N3CCC[CH]3[CH](O)Nc2cc1OCCCC (=O)Nc4ccc(cc4)N5CCN(C)CC5; CN1CCN(CC1)c 2ccc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5C CC[C@H]5[C@@H](N4)O; CN1CCN(CC1)c2ccc(cc 2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCCC5C(N 4)O; COc1cc2C(=O)N3CCC[C@H]3[C@H](O)Nc2c c1OCCCC(=O)Nc4ccc(cc4)N5CCN(C)CC5 |
4-[[(6~{S},6~{a}~{S})-2-methoxy-6-oxidanyl-11-oxidanylidene-5,6,6~{a},7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]butanamide |
| 16247 | A1I48 | 0 | C10 H22 N2 O4 | InChI=1S/C10H22N2O4/c1-5( 2)4-7(11)10(15)16-6(3)8(1 2)9(13)14/h5-8,10,15H,4,1 1-12H2,1-3H3,(H,13,14)/t6 -,7+,8+,10-/m1/s1; KVYIFEDJIVJVJK-CHIQAWFVSA-N |
CC(C)C[C@H](N)[C@H](O)O[C@H](C)[C@H](N)C (O)=O; C[C@H]([C@@H](C(=O)O)N)O[C@H]([C@ H](CC(C)C)N)O; CC(C)CC(C(O)OC(C)C(C(=O)O )N)N; CC(C)C[CH](N)[CH](O)O[CH](C)[CH](N )C(O)=O |
(2~{S},3~{R})-2-azanyl-3-[(1~{R},2~{S})-2-azanyl-4-methyl-1-oxidanyl-pentoxy]butanal |
| 16248 | A1I49 | 0 | C10 H22 N2 O4 | InChI=1S/C10H22N2O4/c1-6( 2)4-9(12)10(14,15)16-7(3) 8(11)5-13/h5-9,14-15H,4,1 1-12H2,1-3H3/t7-,8-,9+/m1 /s1; OBXNEJJANQXHKE-HLTSFMKQSA-N |
C[C@H]([C@@H](C=O)N)OC([C@H](CC(C)C)N)(O )O; CC(C)CC(C(O)(O)OC(C)C(C=O)N)N; CC(C) C[C@H](N)C(O)(O)O[C@H](C)[C@H](N)C=O; CC (C)C[CH](N)C(O)(O)O[CH](C)[CH](N)C=O |
(2~{S},3~{R})-2-azanyl-3-[(2~{S})-2-azanyl-4-methyl-1,1-bis(oxidanyl)pentoxy]butanal |
| 16249 | A1I4D | 2 | H9 O22 P7 | InChI=1S/H9O22P7/c1-23(2, 3)17-25(7,8)19-27(11,12)2 1-29(15,16)22-28(13,14)20 -26(9,10)18-24(4,5)6/h(H, 7,8)(H,9,10)(H,11,12)(H,1 3,14)(H,15,16)(H2,1,2,3)( H2,4,5,6); SDADAGAKKDHRAA-UHFFFAOYSA-N |
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(= O)(O)OP(=O)(O)OP(=O)(O)O; O[P](O)(=O)O[P ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O )O[P](O)(=O)O[P](O)(O)=O |
bis[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl] hydrogen phosphate |
| 16250 | A1I4F | 0 | C12 H13 Cl N2 O3 | InChI=1S/C12H13ClN2O3/c13 -9-3-1-2-8(6-9)11(16)15-5 -4-14-10(7-15)12(17)18/h1 -3,6,10,14H,4-5,7H2,(H,17 ,18)/t10-/m0/s1; ACJNBPKJQDFZRX-JTQLQIEISA-N |
OC(=O)[CH]1CN(CCN1)C(=O)c2cccc(Cl)c2; c1 cc(cc(c1)Cl)C(=O)N2CCNC(C2)C(=O)O; c1cc( cc(c1)Cl)C(=O)N2CCN[C@@H](C2)C(=O)O; OC( =O)[C@@H]1CN(CCN1)C(=O)c2cccc(Cl)c2 |
(2S)-4-(3-chlorophenyl)carbonylpiperazine-2-carboxylic acid |
| 16251 | A1I4H | 1 | C14 H20 N6 O4 | InChI=1S/C14H20N6O4/c1-17 -12-11(13(23)18(2)14(17)2 4)16-7-20(12)8-5-19(6-9(8 )21)10(22)3-4-15/h7-9,21H ,3-6,15H2,1-2H3/t8-,9-/m1 /s1; WROHBSJOOWPPFF-RKDXNWHRSA-N |
CN1c2c(ncn2[C@@H]3CN(C[C@H]3O)C(=O)CCN)C (=O)N(C1=O)C; CN1C(=O)N(C)c2n(cnc2C1=O)[ C@@H]3CN(C[C@H]3O)C(=O)CCN; CN1C(=O)N(C) c2n(cnc2C1=O)[CH]3CN(C[CH]3O)C(=O)CCN; C N1c2c(ncn2C3CN(CC3O)C(=O)CCN)C(=O)N(C1=O )C |
9-[(3~{R},4~{R})-1-(3-azanylpropanoyl)-4-oxidanyl-pyrrolidin-3-yl]-1,3-dimethyl-purine-2,6-dione |
| 16252 | A1I4L | 1 | C21 H25 F2 N3 O3 | InChI=1S/C21H25F2N3O3/c22 -15-2-1-14(16(23)6-15)5-1 3-7-21(8-13)11-26(12-21)2 0(28)25-4-3-18-17(9-25)24 -19(27)10-29-18/h1-2,6,13 ,17-18H,3-5,7-12H2,(H,24, 27); YFOJTINWOSRIHX-UHFFFAOYSA-N |
c1cc(c(cc1F)F)CC2CC3(C2)CN(C3)C(=O)N4CCC 5C(C4)NC(=O)CO5; c1cc(c(cc1F)F)CC2CC3(C2 )CN(C3)C(=O)N4CC[C@H]5[C@@H](C4)NC(=O)CO 5; Fc1ccc(CC2CC3(C2)CN(C3)C(=O)N4CC[CH]5 OCC(=O)N[CH]5C4)c(F)c1; Fc1ccc(CC2CC3(C2 )CN(C3)C(=O)N4CC[C@@H]5OCC(=O)N[C@@H]5C4 )c(F)c1 |
(4~{a}~{R},8~{a}~{S})-6-[[6-[[2,4-bis(fluoranyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]carbonyl]-4,4~{a},5,7,8,8~{a}-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
| 16253 | A1I4N CHEMBL5395746 |
1 | C10 H10 N2 O2 | InChI=1S/C10H10N2O2/c13-9 -6-7-12(10(14)11-9)8-4-2- 1-3-5-8/h1-5H,6-7H2,(H,11 ,13,14); IYBINJWRHRKLTJ-UHFFFAOYSA-N |
c1ccc(cc1)N2CCC(=O)NC2=O; O=C1CCN(C(=O)N 1)c2ccccc2 |
1-phenyl-1,3-diazinane-2,4-dione |
| 16254 | A1I4O | 0 | C9 H18 Cl3 N3 O6 S3 | InChI=1S/C9H18Cl3N3O6S3/c 10-1-4-22(16,17)13-7-14(2 3(18,19)5-2-11)9-15(8-13) 24(20,21)6-3-12/h1-9H2; DTLIXTBIDBNPLF-UHFFFAOYSA-N |
ClCC[S](=O)(=O)N1CN(CN(C1)[S](=O)(=O)CCC l)[S](=O)(=O)CCCl; C1N(CN(CN1S(=O)(=O)CC Cl)S(=O)(=O)CCCl)S(=O)(=O)CCCl |
1,3,5-tris(2-chloroethylsulfonyl)-1,3,5-triazinane |
| 16255 | A1I4P | 1 | C11 H12 N2 O2 | InChI=1S/C11H12N2O2/c14-1 0-7-6-9(11(15)13-10)12-8- 4-2-1-3-5-8/h1-5,9,12H,6- 7H2,(H,13,14,15)/t9-/m0/s 1; IMJAVZDZCOZXOZ-VIFPVBQESA-N |
c1ccc(cc1)N[C@H]2CCC(=O)NC2=O; O=C1CC[CH ](Nc2ccccc2)C(=O)N1; O=C1CC[C@H](Nc2cccc c2)C(=O)N1; c1ccc(cc1)NC2CCC(=O)NC2=O |
(3S)-3-phenylazanylpiperidine-2,6-dione |
| 16256 | A1I4Q | 2 | C14 H16 N2 O2 | InChI=1S/C14H16N2O2/c17-1 3-8-7-12(14(18)15-13)16-9 -3-5-10-4-1-2-6-11(10)16/ h1-2,4,6,12H,3,5,7-9H2,(H ,15,17,18)/t12-/m0/s1; CTVSVGOYYDMZNQ-LBPRGKRZSA-N |
O=C1CC[C@H](N2CCCc3ccccc23)C(=O)N1; c1cc c2c(c1)CCCN2C3CCC(=O)NC3=O; O=C1CC[CH](N 2CCCc3ccccc23)C(=O)N1; c1ccc2c(c1)CCCN2[ C@H]3CCC(=O)NC3=O |
(3S)-3-(3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione |
| 16257 | A1I4R | 1 | C11 H11 N O2 S | InChI=1S/C11H11NO2S/c13-1 0-7-6-9(11(14)12-10)15-8- 4-2-1-3-5-8/h1-5,9H,6-7H2 ,(H,12,13,14)/t9-/m1/s1; DVTWEZHTLIJLKO-SECBINFHSA-N |
O=C1CC[C@@H](Sc2ccccc2)C(=O)N1; c1ccc(cc 1)SC2CCC(=O)NC2=O; c1ccc(cc1)S[C@@H]2CCC (=O)NC2=O; O=C1CC[CH](Sc2ccccc2)C(=O)N1 |
(3R)-3-phenylsulfanylpiperidine-2,6-dione |
| 16258 | A1I4T | 1 | C18 H27 N O8 S | InChI=1S/C18H27NO8S/c1-8- 3-11-16(6-26-18(8,25)14(1 6)23)15(2)4-10(20)12(27-1 1)17(15,24)7-28-5-9(19)13 (21)22/h3,9-12,14,20,23-2 5H,4-7,19H2,1-2H3,(H,21,2 2)/t9-,10+,11+,12+,14-,15 +,16+,17-,18+/m0/s1; IKJKLXWUVIBHOJ-MTTMPXCWSA-N |
CC1=CC2C3(COC1(C3O)O)C4(CC(C(C4(CSCC(C(= O)O)N)O)O2)O)C; CC1=C[C@@H]2[C@@]3(CO[C@ ]1([C@H]3O)O)[C@]4(C[C@H]([C@H]([C@]4(CS C[C@@H](C(=O)O)N)O)O2)O)C; CC1=C[CH]2O[C H]3[CH](O)C[C](C)([C]3(O)CSC[CH](N)C(O)= O)[C]24CO[C]1(O)[CH]4O; CC1=C[C@H]2O[C@@ H]3[C@H](O)C[C@@](C)([C@]3(O)CSC[C@H](N) C(O)=O)[C@]24CO[C@@]1(O)[C@H]4O |
Deoxynivalenol-13-cysteine |
| 16259 | A1I4U | 2 | C25 H37 N3 O12 S | InChI=1S/C25H37N3O12S/c1- 11-5-15-23(9-39-25(11,38) 21(23)36)22(2)6-14(29)18( 40-15)24(22,37)10-41-8-13 (19(33)27-7-17(31)32)28-1 6(30)4-3-12(26)20(34)35/h 5,12-15,18,21,29,36-38H,3 -4,6-10,26H2,1-2H3,(H,27, 33)(H,28,30)(H,31,32)(H,3 4,35)/t12-,13-,14+,15+,18 +,21-,22+,23+,24-,25+/m0/ s1; VKIMXIOAJXZHLP-NKJUKPLDSA-N |
CC1=C[C@@H]2[C@@]3(CO[C@]1([C@H]3O)O)[C@ ]4(C[C@H]([C@H]([C@]4(CSC[C@@H](C(=O)NCC (=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)O2)O)C; CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CS C[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)= O)[C]24CO[C]1(O)[CH]4O; CC1=CC2C3(COC1(C 3O)O)C4(CC(C(C4(CSCC(C(=O)NCC(=O)O)NC(=O )CCC(C(=O)O)N)O)O2)O)C; CC1=C[C@H]2O[C@@ H]3[C@H](O)C[C@@](C)([C@]3(O)CSC[C@H](NC (=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[C@]2 4CO[C@@]1(O)[C@H]4O |
Deoxynivalenol-13-glutathione |
| 16260 | A1I4V CHEMBL3186889 |
3 | C9 H10 Cl N O | InChI=1S/C9H10ClNO/c1-6-3 -4-8(5-9(6)10)11-7(2)12/h 3-5H,1-2H3,(H,11,12); IGLVCWPPISIXPR-UHFFFAOYSA-N |
Cc1ccc(cc1Cl)NC(=O)C; CC(=O)Nc1ccc(C)c(C l)c1 |
~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide |
| 16261 | A1I4W | 1 | C33 H47 N5 O6 | InChI=1S/C33H47N5O6/c1-35 -32(41)28(19-23-11-13-36- 14-12-23)37-33(42)29-20-2 5(24-7-3-2-4-8-24)22-38(2 9)31(40)21-27(34)26-9-5-6 -10-30(26)44-18-17-43-16- 15-39/h5-6,9-14,24-25,27- 29,39H,2-4,7-8,15-22,34H2 ,1H3,(H,35,41)(H,37,42)/t 25-,27+,28+,29+/m1/s1; GDZUYXCMNWYMAG-ZIZDPRJYSA-N |
CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@ H](CN2C(=O)C[C@@H](c3ccccc3OCCOCCO)N)C4C CCCC4; CNC(=O)C(Cc1ccncc1)NC(=O)C2CC(CN2 C(=O)CC(c3ccccc3OCCOCCO)N)C4CCCCC4; CNC( =O)[CH](Cc1ccncc1)NC(=O)[CH]2C[CH](CN2C( =O)C[CH](N)c3ccccc3OCCOCCO)C4CCCCC4; CNC (=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@H]( CN2C(=O)C[C@H](N)c3ccccc3OCCOCCO)C4CCCCC 4 |
(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-[2-[2-(2-hydroxyethyloxy)ethoxy]phenyl]propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide |
| 16262 | A1I4X | 1 | C30 H41 N5 O4 | InChI=1S/C30H41N5O4/c1-32 -29(37)25(16-20-12-14-33- 15-13-20)34-30(38)26-17-2 2(21-8-4-3-5-9-21)19-35(2 6)28(36)18-24(31)23-10-6- 7-11-27(23)39-2/h6-7,10-1 5,21-22,24-26H,3-5,8-9,16 -19,31H2,1-2H3,(H,32,37)( H,34,38)/t22-,24+,25+,26+ /m1/s1; ZDWZDLUIZUBTKV-DNZIZEQUSA-N |
CNC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H]2C[C@ H](CN2C(=O)C[C@H](N)c3ccccc3OC)C4CCCCC4; CNC(=O)[CH](Cc1ccncc1)NC(=O)[CH]2C[CH]( CN2C(=O)C[CH](N)c3ccccc3OC)C4CCCCC4; CNC (=O)C(Cc1ccncc1)NC(=O)C2CC(CN2C(=O)CC(c3 ccccc3OC)N)C4CCCCC4; CNC(=O)[C@H](Cc1ccn cc1)NC(=O)[C@@H]2C[C@H](CN2C(=O)C[C@@H]( c3ccccc3OC)N)C4CCCCC4 |
(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(2-methoxyphenyl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide |
| 16263 | A1I4Y | 2 | C27 H37 N5 O4 | InChI=1S/C27H37N5O4/c1-29 -26(34)22(14-18-9-11-30-1 2-10-18)31-27(35)23-15-20 (19-6-3-2-4-7-19)17-32(23 )25(33)16-21(28)24-8-5-13 -36-24/h5,8-13,19-23H,2-4 ,6-7,14-17,28H2,1H3,(H,29 ,34)(H,31,35)/t20-,21+,22 +,23+/m1/s1; SXOXGCGOYIMWNS-LDVJMBRRSA-N |
CNC(=O)C(Cc1ccncc1)NC(=O)C2CC(CN2C(=O)CC (c3ccco3)N)C4CCCCC4; CNC(=O)[CH](Cc1ccnc c1)NC(=O)[CH]2C[CH](CN2C(=O)C[CH](N)c3oc cc3)C4CCCCC4; CNC(=O)[C@H](Cc1ccncc1)NC( =O)[C@@H]2C[C@H](CN2C(=O)C[C@H](N)c3occc 3)C4CCCCC4; CNC(=O)[C@H](Cc1ccncc1)NC(=O )[C@@H]2C[C@H](CN2C(=O)C[C@@H](c3ccco3)N )C4CCCCC4 |
(2~{S},4~{S})-1-[(3~{S})-3-azanyl-3-(furan-2-yl)propanoyl]-4-cyclohexyl-~{N}-[(2~{S})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]pyrrolidine-2-carboxamide |
| 16264 | A1I4Z | 5 | C31 H32 N6 O2 | InChI=1S/C31H32N6O2/c1-22 -29(20-37(35-22)19-24-6-1 1-27(39-3)12-7-24)28-16-2 5(8-13-30(28)36-15-14-33- 21-36)18-34-17-23-4-9-26( 10-5-23)31(38)32-2/h4-16, 20-21,34H,17-19H2,1-3H3,( H,32,38); BOWNAJGILQQXOM-UHFFFAOYSA-N |
Cc1c(cn(n1)Cc2ccc(cc2)OC)c3cc(ccc3n4ccnc 4)CNCc5ccc(cc5)C(=O)NC; CNC(=O)c1ccc(CNC c2ccc(n3ccnc3)c(c2)c4cn(Cc5ccc(OC)cc5)nc 4C)cc1 |
4-[[[4-imidazol-1-yl-3-[1-[(4-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]phenyl]methylamino]methyl]-~{N}-methyl-benzamide |
| 16265 | A1I50 | 1 | C14 H20 N4 O3 | InChI=1S/C14H20N4O3/c1-21 -12-11-8(16-14(15)17-12)7 -18(13(11)20)9-5-3-2-4-6- 10(9)19/h9-10,19H,2-7H2,1 H3,(H2,15,16,17)/t9-,10?/ m1/s1; DXJAJOUDYQSXQN-YHMJZVADSA-N |
COc1c2c(nc(n1)N)CN(C2=O)[C@@H]3CCCCC[C@@ H]3O; COc1nc(N)nc2CN([CH]3CCCCC[CH]3O)C( =O)c12; COc1nc(N)nc2CN([C@@H]3CCCCC[C@@H ]3O)C(=O)c12; COc1c2c(nc(n1)N)CN(C2=O)C3 CCCCCC3O |
2-azanyl-4-methoxy-6-[(1~{R},2~{S})-2-oxidanylcycloheptyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| 16266 | A1I52 | 4 | C30 H31 Cl2 F N4 O4 | InChI=1S/C30H31Cl2FN4O4/c 31-24-13-6-20(17-25(24)32 )14-16-40-23-11-4-19(5-12 -23)18-27-36-29(37-41-27) 28(38)26(3-1-2-15-34)35-3 0(39)21-7-9-22(33)10-8-21 /h4-13,17,26,28,38H,1-3,1 4-16,18,34H2,(H,35,39)/t2 6-,28-/m0/s1; VDZJQCQLVMCFBD-XCZPVHLTSA-N |
c1cc(ccc1Cc2nc(no2)[C@H]([C@H](CCCCN)NC( =O)c3ccc(cc3)F)O)OCCc4ccc(c(c4)Cl)Cl; NC CCC[CH](NC(=O)c1ccc(F)cc1)[CH](O)c2noc(C c3ccc(OCCc4ccc(Cl)c(Cl)c4)cc3)n2; NCCCC[ C@H](NC(=O)c1ccc(F)cc1)[C@H](O)c2noc(Cc3 ccc(OCCc4ccc(Cl)c(Cl)c4)cc3)n2; c1cc(ccc 1Cc2nc(no2)C(C(CCCCN)NC(=O)c3ccc(cc3)F)O )OCCc4ccc(c(c4)Cl)Cl |
~{N}-[(1~{S},2~{S})-6-azanyl-1-[5-[[4-[2-(3,4-dichlorophenyl)ethoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxidanyl-hexan-2-yl]-4-fluoranyl-benzamide |
| 16267 | A1I53 | 2 | C27 H39 N O7 | InChI=1S/C27H39NO7/c1-18- 17-33-13-14-34-25-22(31-2 )15-20(16-23(25)32-3)24(1 9-9-5-4-6-10-19)26(29)28- 12-8-7-11-21(28)27(30)35- 18/h15-16,18-19,21,24H,4- 14,17H2,1-3H3/t18-,21-,24 -/m0/s1; WCYCYZCHLRIZQO-XZOYJPPVSA-N |
C[C@H]1COCCOc2c(cc(cc2OC)[C@@H](C(=O)N3C CCC[C@H]3C(=O)O1)C4CCCCC4)OC; COc1cc2cc( OC)c1OCCOC[CH](C)OC(=O)[CH]3CCCCN3C(=O)[ CH]2C4CCCCC4; CC1COCCOc2c(cc(cc2OC)C(C(= O)N3CCCCC3C(=O)O1)C4CCCCC4)OC; COc1cc2cc (OC)c1OCCOC[C@H](C)OC(=O)[C@@H]3CCCCN3C( =O)[C@H]2C4CCCCC4 |
(2~{S},9~{S},12~{S})-2-cyclohexyl-19,22-dimethoxy-12-methyl-11,14,17-trioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione |
| 16268 | A1I54 | 2 | C28 H41 N O7 | InChI=1S/C28H41NO7/c1-19- 18-34-14-9-15-35-26-23(32 -2)16-21(17-24(26)33-3)25 (20-10-5-4-6-11-20)27(30) 29-13-8-7-12-22(29)28(31) 36-19/h16-17,19-20,22,25H ,4-15,18H2,1-3H3/t19-,22- ,25-/m0/s1; GOWQAYJSFBHTMX-JTJYXVOQSA-N |
C[C@H]1COCCCOc2c(cc(cc2OC)[C@@H](C(=O)N3 CCCC[C@H]3C(=O)O1)C4CCCCC4)OC; COc1cc2cc (OC)c1OCCCOC[CH](C)OC(=O)[CH]3CCCCN3C(=O )[CH]2C4CCCCC4; CC1COCCCOc2c(cc(cc2OC)C( C(=O)N3CCCCC3C(=O)O1)C4CCCCC4)OC; COc1cc 2cc(OC)c1OCCCOC[C@H](C)OC(=O)[C@@H]3CCCC N3C(=O)[C@H]2C4CCCCC4 |
(2~{S},9~{S},12~{S})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione |
| 16269 | A1I55 | 3 | C27 H39 N O7 | InChI=1S/C27H39NO7/c1-18- 17-33-13-14-34-25-22(31-2 )15-20(16-23(25)32-3)24(1 9-9-5-4-6-10-19)26(29)28- 12-8-7-11-21(28)27(30)35- 18/h15-16,18-19,21,24H,4- 14,17H2,1-3H3/t18-,21+,24 +/m1/s1; WCYCYZCHLRIZQO-ZHRMCQFGSA-N |
COc1cc2cc(OC)c1OCCOC[CH](C)OC(=O)[CH]3CC CCN3C(=O)[CH]2C4CCCCC4; C[C@@H]1COCCOc2c (cc(cc2OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O 1)C4CCCCC4)OC; CC1COCCOc2c(cc(cc2OC)C(C( =O)N3CCCCC3C(=O)O1)C4CCCCC4)OC; COc1cc2c c(OC)c1OCCOC[C@@H](C)OC(=O)[C@@H]3CCCCN3 C(=O)[C@H]2C4CCCCC4 |
(2~{S},9~{S},12~{R})-2-cyclohexyl-19,22-dimethoxy-12-methyl-11,14,17-trioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione |
| 16270 | A1I56 | 2 | C12 H11 N3 O3 S | InChI=1S/C12H11N3O3S/c1-1 8-8-4-2-3-7(5-8)13-6-9-10 (16)14-12(19)15-11(9)17/h 2-6,13H,1H3,(H2,14,15,16, 17,19); TZPFBBAMHDIRBM-UHFFFAOYSA-N |
COc1cccc(NC=C2C(=O)NC(=S)NC2=O)c1; COc1c ccc(c1)NC=C2C(=O)NC(=S)NC2=O |
5-[[(3-methoxyphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione |
| 16271 | A1I57 | 4 | C27 H35 F N4 O4 S | InChI=1S/C27H35FN4O4S/c1- 15(17-6-8-18(9-7-17)21-16 (2)29-14-37-21)30-23(34)2 0-12-19(33)13-32(20)24(35 )22(26(3,4)5)31-25(36)27( 28)10-11-27/h6-9,14-15,19 -20,22,33H,10-13H2,1-5H3, (H,30,34)(H,31,36)/t15-,1 9+,20-,22+/m0/s1; ZRMSBIXNCRBFTI-CDYWNXMYSA-N |
Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN3C( =O)C(C(C)(C)C)NC(=O)C4(CC4)F)O; C[C@H](N C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC( =O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C; C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](N C(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4 C; Cc1c(scn1)c2ccc(cc2)[C@H](C)NC(=O)[C@ @H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O) C4(CC4)F)O |
(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 16272 | A1I58 | 4 | C27 H33 F N4 O4 S | InChI=1S/C27H33FN4O4S/c1- 16(18-6-8-19(9-7-18)23-17 (2)29-15-37-23)30-24(34)2 2-13-20(33)14-32(22)25(35 )21-5-3-4-12-31(21)26(36) 27(28)10-11-27/h6-9,15-16 ,20-22,33H,3-5,10-14H2,1- 2H3,(H,30,34)/t16-,20+,21 -,22-/m0/s1; PMUQVDYDZIRJQF-AEMJNJESSA-N |
C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH]2CC CCN2C(=O)C3(F)CC3)c4ccc(cc4)c5scnc5C; C[ C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@ H]2CCCCN2C(=O)C3(F)CC3)c4ccc(cc4)c5scnc5 C; Cc1c(scn1)c2ccc(cc2)C(C)NC(=O)C3CC(CN 3C(=O)C4CCCCN4C(=O)C5(CC5)F)O; Cc1c(scn1 )c2ccc(cc2)[C@H](C)NC(=O)[C@@H]3C[C@H](C N3C(=O)[C@@H]4CCCCN4C(=O)C5(CC5)F)O |
(2~{S},4~{R})-1-[(2~{S})-1-(1-fluoranylcyclopropyl)carbonylpiperidin-2-yl]carbonyl-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
| 16273 | A1I59 | 0 | C12 H21 N4 O10 P | InChI=1S/C12H21N4O10P/c13 -5(1-7(17)18)4-2-16(12(21 )15-10(4)14)11-9(20)8(19) 6(26-11)3-25-27(22,23)24/ h2,5-9,11,17-20H,1,3,13H2 ,(H2,14,15,21)(H2,22,23,2 4)/t5-,6+,8+,9+,11+/m0/s1; MVVSSDOMXIJOEA-DANLAGSESA-N |
C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H ](O2)COP(=O)(O)O)O)O)N)[C@H](CC(O)O)N; N [C@@H](CC(O)O)C1=CN([C@@H]2O[C@H](CO[P]( O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N=C1N; N[C H](CC(O)O)C1=CN([CH]2O[CH](CO[P](O)(O)=O )[CH](O)[CH]2O)C(=O)N=C1N; C1=C(C(=NC(=O )N1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(CC(O)O )N |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[(1~{S})-1-azanyl-3,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 16274 | A1I5A CHEMBL1733 DB14217 |
3 | C23 H26 N2 O5 | InChI=1S/C23H26N2O5/c1-15 (24-19(22(27)28)12-11-16- 7-3-2-4-8-16)21(26)25-14- 18-10-6-5-9-17(18)13-20(2 5)23(29)30/h2-10,15,19-20 ,24H,11-14H2,1H3,(H,27,28 )(H,29,30)/t15-,19-,20-/m 0/s1; FLSLEGPOVLMJMN-YSSFQJQWSA-N |
CC(C(=O)N1Cc2ccccc2CC1C(=O)O)NC(CCc3cccc c3)C(=O)O; C[CH](N[CH](CCc1ccccc1)C(O)=O )C(=O)N2Cc3ccccc3C[CH]2C(O)=O; C[C@@H](C (=O)N1Cc2ccccc2C[C@H]1C(=O)O)N[C@@H](CCc 3ccccc3)C(=O)O; C[C@H](N[C@@H](CCc1ccccc 1)C(O)=O)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O |
quinaprilat; (3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid |
| 16275 | A1I5F | 1 | C17 H21 F3 N2 O2 | InChI=1S/C17H21F3N2O2/c1- 3-15(23)22-9-8-21(11-12(2 2)2)16(24)10-13-4-6-14(7- 5-13)17(18,19)20/h4-7,12H ,3,8-11H2,1-2H3/t12-/m1/s 1; BIKYEXUTFXMVAZ-GFCCVEGCSA-N |
CCC(=O)N1CCN(CC1C)C(=O)Cc2ccc(cc2)C(F)(F )F; CCC(=O)N1CCN(C[CH]1C)C(=O)Cc2ccc(cc2 )C(F)(F)F; CCC(=O)N1CCN(C[C@H]1C)C(=O)Cc 2ccc(cc2)C(F)(F)F |
1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one |
| 16276 | A1I5G | 2 | C23 H23 N5 O3 S2 | InChI=1S/C23H23N5O3S2/c1- 13(2)8-19(23(30)31)24-22( 29)17-9-16(20-5-4-14(3)33 -20)10-18(11-17)28-21(25- 26-27-28)15-6-7-32-12-15/ h4-7,9-13,19H,8H2,1-3H3,( H,24,29)(H,30,31)/t19-/m0 /s1; IXKSDMHVMIKEIX-IBGZPJMESA-N |
Cc1ccc(s1)c2cc(cc(c2)n3c(nnn3)c4ccsc4)C( =O)NC(CC(C)C)C(=O)O; CC(C)C[CH](NC(=O)c1 cc(cc(c1)c2sc(C)cc2)n3nnnc3c4cscc4)C(O)= O; Cc1ccc(s1)c2cc(cc(c2)n3c(nnn3)c4ccsc4 )C(=O)N[C@@H](CC(C)C)C(=O)O; CC(C)C[C@H] (NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4cs cc4)C(O)=O |
(2~{S})-4-methyl-2-[[3-(5-methylthiophen-2-yl)-5-(5-thiophen-3-yl-1,2,3,4-tetrazol-1-yl)phenyl]carbonylamino]pentanoic acid |
| 16277 | A1I5H | 1 | C13 H18 N4 O3 | InChI=1S/C13H18N4O3/c1-20 -11-10-9(15-13(14)16-11)6 -17(12(10)19)7-2-4-8(18)5 -3-7/h7-8,18H,2-6H2,1H3,( H2,14,15,16)/t7-,8+; ARZZIEXRMVZGIF-OCAPTIKFSA-N |
COc1c2c(nc(n1)N)CN(C2=O)C3CCC(CC3)O; COc 1nc(N)nc2CN([CH]3CC[CH](O)CC3)C(=O)c12; COc1nc(N)nc2CN([C@H]3CC[C@@H](O)CC3)C(=O )c12 |
2-azanyl-4-methoxy-6-(4-oxidanylcyclohexyl)-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| 16278 | A1I5I | 1 | C5 H7 N3 O2 S | InChI=1S/C5H7N3O2S/c1-8-3 -6-7-5(8)11-2-4(9)10/h3H, 2H2,1H3,(H,9,10); DYBWSXCOOHHRFY-UHFFFAOYSA-N |
Cn1cnnc1SCC(=O)O; Cn1cnnc1SCC(O)=O | 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid |
| 16279 | A1I5K | 0 | C13 H20 N7 O7 P | InChI=1S/C13H20N7O7P/c1-5 (14)12(22)19-7-6(2-26-28( 23,24)25)27-13(9(7)21)20- 4-18-8-10(15)16-3-17-11(8 )20/h3-7,9,13,21H,2,14H2, 1H3,(H,19,22)(H2,15,16,17 )(H2,23,24,25)/t5-,6+,7+, 9+,13+/m0/s1; FHCKRSCKZVNKEP-AYEBZEFBSA-N |
C[CH](N)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO[ P](O)(O)=O)n2cnc3c(N)ncnc23; C[C@H](N)C( =O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P]( O)(O)=O)n2cnc3c(N)ncnc23; C[C@@H](C(=O)N C1[C@H](O[C@H](C1O)n2cnc3c2ncnc3N)COP(=O )(O)O)N; CC(C(=O)NC1C(OC(C1O)n2cnc3c2ncn c3N)COP(=O)(O)O)N |
[5-(4-amino-1,2,3-triazatricyclo[1.1.0.02,4]butan-1-yl)-3-(2-aminopropanoylamino)-4-hydroxy-2,3-dihydrofuran-2,4-diylium-2-yl]methoxy-hydroxy-keto-phosphonium |
| 16280 | A1I5L | 2 | C23 H28 F3 N3 O3 | InChI=1S/C23H28F3N3O3/c1- 2-19(30)29-11-10-27(13-18 (29)21(32)28-14-22(15-28) 8-3-9-22)20(31)12-16-4-6- 17(7-5-16)23(24,25)26/h4- 7,18H,2-3,8-15H2,1H3/t18- /m0/s1; YBJGCZMOFCWVJX-SFHVURJKSA-N |
CCC(=O)N1CCN(CC1C(=O)N2CC3(C2)CCC3)C(=O) Cc4ccc(cc4)C(F)(F)F; CCC(=O)N1CCN(C[C@H] 1C(=O)N2CC3(CCC3)C2)C(=O)Cc4ccc(cc4)C(F) (F)F; CCC(=O)N1CCN(C[C@H]1C(=O)N2CC3(C2) CCC3)C(=O)Cc4ccc(cc4)C(F)(F)F; CCC(=O)N1 CCN(C[CH]1C(=O)N2CC3(CCC3)C2)C(=O)Cc4ccc (cc4)C(F)(F)F |
1-[(2~{S})-2-(2-azaspiro[3.3]heptan-2-ylcarbonyl)-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one |
| 16281 | A1I5M | 2 | C13 H15 F3 N2 O2 | InChI=1S/C13H15F3N2O2/c14 -13(15,16)9-1-3-10(4-2-9) 20-11-5-7-18(8-6-11)12(17 )19/h1-4,11H,5-8H2,(H2,17 ,19); ZLLHXSBVRPNTML-UHFFFAOYSA-N |
c1cc(ccc1C(F)(F)F)OC2CCN(CC2)C(=O)N; NC( =O)N1CCC(CC1)Oc2ccc(cc2)C(F)(F)F |
4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide |
| 16282 | A1I5N | 1 | C18 H15 Br2 N O2 | InChI=1S/C18H15Br2NO2/c1- 8(2)21-12-4-3-5-13(22)15( 12)16-17(21)10-6-9(19)7-1 1(20)14(10)18(16)23/h6-8H ,3-5H2,1-2H3; FFPSEOWYNKGJEI-UHFFFAOYSA-N |
CC(C)n1c2CCCC(=O)c2c3C(=O)c4c(Br)cc(Br)c c4c13; CC(C)n1c2c(c3c1-c4cc(cc(c4C3=O)Br )Br)C(=O)CCC2 |
1,3-bis(bromanyl)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione |
| 16283 | A1I5P | 3 | C10 H10 N2 O2 | InChI=1S/C10H10N2O2/c1-14 -10(13)8-6-4-2-3-5-7(6)12 -9(8)11/h2-5,12H,11H2,1H3; XPOFELVXMSSKQL-UHFFFAOYSA-N |
COC(=O)c1c2ccccc2[nH]c1N; COC(=O)c1c(N)[ nH]c2ccccc12 |
methyl 2-azanyl-1~{H}-indole-3-carboxylate |
| 16284 | A1I5S | 2 | C27 H31 N O6 | InChI=1S/C27H31NO6/c1-3-1 7(4-2)6-5-13-28-24(18-7-1 0-20(29)11-8-18)23(26(31) 27(28)32)25(30)19-9-12-21 -22(16-19)34-15-14-33-21/ h7-12,16-17,24,29,31H,3-6 ,13-15H2,1-2H3/t24-/m0/s1; LVWMEWWBGCUEEB-DEOSSOPVSA-N |
CCC(CC)CCCN1[CH](c2ccc(O)cc2)C(=C(O)C1=O )C(=O)c3ccc4OCCOc4c3; CCC(CC)CCCN1[C@@H] (c2ccc(O)cc2)C(=C(O)C1=O)C(=O)c3ccc4OCCO c4c3; CCC(CC)CCCN1[C@H](C(=C(C1=O)O)C(=O )c2ccc3c(c2)OCCO3)c4ccc(cc4)O; CCC(CC)CC CN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c 4ccc(cc4)O |
(2~{S})-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(4-ethylhexyl)-2-(4-hydroxyphenyl)-4-oxidanyl-2~{H}-pyrrol-5-one |
| 16285 | A1I5T | 1 | C23 H22 F4 N6 O | InChI=1S/C23H22F4N6O/c1-3 2(15(14-6-2-3-8-28-14)7-1 1-33-9-4-5-10-33)23-31-30 -22(34-23)13-12-29-21-16( 13)17(24)18(25)19(26)20(2 1)27/h2-3,6,8,12,15,29H,4 -5,7,9-11H2,1H3/t15-/m1/s 1; IUWAZBMFUACYBK-OAHLLOKOSA-N |
CN(c1nnc(o1)c2c[nH]c3c2c(c(c(c3F)F)F)F)[ C@H](CCN4CCCC4)c5ccccn5; CN(c1nnc(o1)c2c [nH]c3c2c(c(c(c3F)F)F)F)C(CCN4CCCC4)c5cc ccn5; CN([CH](CCN1CCCC1)c2ccccn2)c3oc(nn 3)c4c[nH]c5c(F)c(F)c(F)c(F)c45; CN([C@H] (CCN1CCCC1)c2ccccn2)c3oc(nn3)c4c[nH]c5c( F)c(F)c(F)c(F)c45 |
~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine |
| 16286 | A1I5U | 1 | C5 H4 N4 O S | InChI=1S/C5H4N4OS/c10-4-2 -1-6-9-3(2)7-5(11)8-4/h1H ,(H3,6,7,8,9,10,11); SXRSXYWROQWSGJ-UHFFFAOYSA-N |
O=C1NC(=S)Nc2[nH]ncc12; c1c2c([nH]n1)NC( =S)NC2=O |
6-sulfanylidene-1,7-dihydropyrazolo[3,4-d]pyrimidin-4-one |
| 16287 | A1I5V | 1 | C6 H7 N5 | InChI=1S/C6H7N5/c1-3-4-5( 7)8-2-9-6(4)11-10-3/h2H,1 H3,(H3,7,8,9,10,11); VQXHGXDVBHJJJU-UHFFFAOYSA-N |
Cc1c2c(ncnc2[nH]n1)N; Cc1n[nH]c2ncnc(N)c 12 |
3-methyl-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine |
| 16288 | A1I5W | 1 | C26 H27 N5 O3 S | InChI=1S/C26H27N5O3S/c1-1 5(2)11-22(26(33)34)27-25( 32)19-12-18(23-10-9-17(4) 35-23)13-20(14-19)31-24(2 8-29-30-31)21-8-6-5-7-16( 21)3/h5-10,12-15,22H,11H2 ,1-4H3,(H,27,32)(H,33,34) /t22-/m0/s1; RNQSSRPQSXPXQB-QFIPXVFZSA-N |
Cc1ccccc1c2nnnn2c3cc(cc(c3)C(=O)NC(CC(C) C)C(=O)O)c4ccc(s4)C; CC(C)C[C@H](NC(=O)c 1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4ccccc4C)C( O)=O; Cc1ccccc1c2nnnn2c3cc(cc(c3)C(=O)N[ C@@H](CC(C)C)C(=O)O)c4ccc(s4)C; CC(C)C[C H](NC(=O)c1cc(cc(c1)c2sc(C)cc2)n3nnnc3c4 ccccc4C)C(O)=O |
(2~{S})-4-methyl-2-[[3-[5-(2-methylphenyl)-1,2,3,4-tetrazol-1-yl]-5-(5-methylthiophen-2-yl)phenyl]carbonylamino]pentanoic acid |
| 16289 | A1I5X | 2 | C26 H37 N O7 | InChI=1S/C26H37NO7/c1-30- 21-16-19-17-22(31-2)24(21 )33-14-12-32-13-15-34-26( 29)20-10-6-7-11-27(20)25( 28)23(19)18-8-4-3-5-9-18/ h16-18,20,23H,3-15H2,1-2H 3/t20-,23-/m0/s1; NQZNSLUZVXLYAD-REWPJTCUSA-N |
COc1cc2cc(OC)c1OCCOCCOC(=O)[CH]3CCCCN3C( =O)[CH]2C4CCCCC4; COc1cc2cc(c1OCCOCCOC(= O)C3CCCCN3C(=O)C2C4CCCCC4)OC; COc1cc2cc( OC)c1OCCOCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H] 2C4CCCCC4; COc1cc2cc(c1OCCOCCOC(=O)[C@@H ]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC |
(2~{S},9~{S})-2-cyclohexyl-19,22-dimethoxy-11,14,17-trioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione |
| 16290 | A1I5Y | 3 | C28 H41 N O7 | InChI=1S/C28H41NO7/c1-19- 18-34-14-9-15-35-26-23(32 -2)16-21(17-24(26)33-3)25 (20-10-5-4-6-11-20)27(30) 29-13-8-7-12-22(29)28(31) 36-19/h16-17,19-20,22,25H ,4-15,18H2,1-3H3/t19-,22+ ,25+/m1/s1; GOWQAYJSFBHTMX-WPWBMXPQSA-N |
C[C@@H]1COCCCOc2c(cc(cc2OC)[C@@H](C(=O)N 3CCCC[C@H]3C(=O)O1)C4CCCCC4)OC; COc1cc2c c(OC)c1OCCCOC[CH](C)OC(=O)[CH]3CCCCN3C(= O)[CH]2C4CCCCC4; COc1cc2cc(OC)c1OCCCOC[C @@H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4C CCCC4; CC1COCCCOc2c(cc(cc2OC)C(C(=O)N3CC CCC3C(=O)O1)C4CCCCC4)OC |
(2~{S},9~{S},12~{R})-2-cyclohexyl-20,23-dimethoxy-12-methyl-11,14,18-trioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),19(23),20-triene-3,10-dione |
| 16291 | A1I5Z | 1 | C19 H30 N6 O2 | InChI=1S/C19H30N6O2/c1-2- 27-17-15-16(22-19(20)23-1 7)24(10-9-13-11-21-12-13) 25(18(15)26)14-7-5-3-4-6- 8-14/h13-14,21H,2-12H2,1H 3,(H2,20,22,23); KMGTYIPXRJPIEX-UHFFFAOYSA-N |
CCOc1nc(N)nc2N(CCC3CNC3)N(C4CCCCCC4)C(=O )c12; CCOc1c2c(nc(n1)N)N(N(C2=O)C3CCCCCC 3)CCC4CNC4 |
6-azanyl-1-[2-(azetidin-3-yl)ethyl]-2-cycloheptyl-4-ethoxy-pyrazolo[3,4-d]pyrimidin-3-one |
| 16292 | A1I60 | 1 | C13 H16 F2 N4 O2 | InChI=1S/C13H16F2N4O2/c1- 21-10-9-7(17-12(16)18-10) 6-19(11(9)20)8-4-2-3-5-13 (8,14)15/h8H,2-6H2,1H3,(H 2,16,17,18)/t8-/m0/s1; CJIIGCVWNCULKO-QMMMGPOBSA-N |
COc1c2c(nc(n1)N)CN(C2=O)[C@H]3CCCCC3(F)F ; COc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3(F)F; COc1nc(N)nc2CN([CH]3CCCCC3(F)F)C(=O)c12; COc1nc(N)nc2CN([C@H]3CCCCC3(F)F)C(=O)c1 2 |
2-azanyl-6-[(1~{S})-2,2-bis(fluoranyl)cyclohexyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| 16293 | A1I61 | 1 | C14 H20 N4 O2 | InChI=1S/C14H20N4O2/c1-2- 20-12-11-10(16-14(15)17-1 2)8-18(13(11)19)9-6-4-3-5 -7-9/h9H,2-8H2,1H3,(H2,15 ,16,17); OHMOSKPEUXXALI-UHFFFAOYSA-N |
CCOc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3; CCOc1 nc(N)nc2CN(C3CCCCC3)C(=O)c12 |
2-azanyl-6-cyclohexyl-4-ethoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| 16294 | A1I62 | 1 | C14 H20 N4 O3 | InChI=1S/C14H20N4O3/c1-2- 21-12-11-8(16-14(15)17-12 )7-18(13(11)20)9-5-3-4-6- 10(9)19/h9-10,19H,2-7H2,1 H3,(H2,15,16,17)/t9-,10+/ m1/s1; BIALHCSDJYVDGR-ZJUUUORDSA-N |
CCOc1c2c(nc(n1)N)CN(C2=O)C3CCCCC3O; CCOc 1nc(N)nc2CN([CH]3CCCC[CH]3O)C(=O)c12; CC Oc1c2c(nc(n1)N)CN(C2=O)[C@@H]3CCCC[C@@H] 3O; CCOc1nc(N)nc2CN([C@@H]3CCCC[C@@H]3O) C(=O)c12 |
2-azanyl-4-ethoxy-6-[(1~{R},2~{S})-2-oxidanylcyclohexyl]-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one |
| 16295 | A1I67 | 0 | C13 H26 N2 O5 | InChI=1S/C13H26N2O5/c1-7( 2)5-9(14)13(19)12(4,18)6- 15-10(11(16)17)8(3)20-13/ h7-10,15,18-19H,5-6,14H2, 1-4H3,(H,16,17)/t8-,9+,10 +,12-,13+/m1/s1; WRFMPGAQIMAYEQ-XYNYFCMSSA-N |
CC(C)C[C@H](N)[C@]1(O)O[C@H](C)[C@H](NC[ C@@]1(C)O)C(O)=O; CC1C(NCC(C(O1)(C(CC(C) C)N)O)(C)O)C(=O)O; CC(C)C[CH](N)[C]1(O)O [CH](C)[CH](NC[C]1(C)O)C(O)=O; C[C@@H]1[ C@H](NC[C@@]([C@@](O1)([C@H](CC(C)C)N)O) (C)O)C(=O)O |
(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-3-methyl-butyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde |
| 16296 | A1I6A | 1 | C28 H23 Cl N6 O | InChI=1S/C28H23ClN6O/c29- 18-26(36)35(25-15-13-23(1 4-16-25)22-10-5-2-6-11-22 )27(24-12-7-17-30-19-24)2 8-31-32-33-34(28)20-21-8- 3-1-4-9-21/h1-17,19,27H,1 8,20H2/t27-/m1/s1; ZLBQFWMBLAXODT-HHHXNRCGSA-N |
c1ccc(cc1)Cn2c(nnn2)[C@@H](c3cccnc3)N(c4 ccc(cc4)c5ccccc5)C(=O)CCl; ClCC(=O)N([CH ](c1cccnc1)c2nnnn2Cc3ccccc3)c4ccc(cc4)c5 ccccc5; ClCC(=O)N([C@H](c1cccnc1)c2nnnn2 Cc3ccccc3)c4ccc(cc4)c5ccccc5; c1ccc(cc1) Cn2c(nnn2)C(c3cccnc3)N(c4ccc(cc4)c5ccccc 5)C(=O)CCl |
2-chloranyl-~{N}-[(~{R})-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]-pyridin-3-yl-methyl]-~{N}-(4-phenylphenyl)ethanamide |
| 16297 | A1I6B | 1 | C18 H22 F N3 O | InChI=1S/C18H22FN3O/c1-12 -5-7-22(8-6-12)18(20)21-1 6-10-14(9-15(19)11-16)17- 4-3-13(2)23-17/h3-4,9-12H ,5-8H2,1-2H3,(H2,20,21); IUYWNOVDYFRGTC-UHFFFAOYSA-N |
[H]/N=C(\Nc1cc(cc(c1)F)c2ccc(o2)C)/N3CCC (CC3)C; Cc1ccc(o1)c2cc(cc(c2)F)NC(=N)N3C CC(CC3)C; CC1CCN(CC1)C(=N)Nc2cc(F)cc(c2) c3oc(C)cc3 |
~{N}-[3-fluoranyl-5-(5-methylfuran-2-yl)phenyl]-4-methyl-piperidine-1-carboximidamide |
| 16298 | A1I6C | 1 | C12 H17 N3 | InChI=1S/C12H17N3/c13-12( 15-9-5-2-6-10-15)14-11-7- 3-1-4-8-11/h1,3-4,7-8H,2, 5-6,9-10H2,(H2,13,14); TZEFIKHIRATNEI-UHFFFAOYSA-N |
c1ccc(cc1)N=C(N)N2CCCCC2; NC(=Nc1ccccc1) N2CCCCC2; c1ccc(cc1)/N=C(/N)\N2CCCCC2 |
~{N}'-phenylpiperidine-1-carboximidamide |
| 16299 | A1I6E | 1 | C7 H9 N3 O | InChI=1S/C7H9N3O/c1-9-7-5 (6(8)11)3-2-4-10-7/h2-4H, 1H3,(H2,8,11)(H,9,10); DVBVURADALKRQB-UHFFFAOYSA-N |
CNc1ncccc1C(N)=O; CNc1c(cccn1)C(=O)N | 2-(methylamino)pyridine-3-carboxamide |
| 16300 | A1I6F | 1 | C25 H33 F N4 O2 | InChI=1S/C25H33FN4O2/c1-1 7-21(23(31)29-9-5-4-6-10- 29)16-22(32-17)18-13-19(2 6)15-20(14-18)28-24(27)30 -11-7-25(2,3)8-12-30/h13- 16H,4-12H2,1-3H3,(H2,27,2 8); SAKYCLOJOJKCIC-UHFFFAOYSA-N |
Cc1c(cc(o1)c2cc(cc(c2)F)NC(=N)N3CCC(CC3) (C)C)C(=O)N4CCCCC4; [H]/N=C(\Nc1cc(cc(c1 )F)c2cc(c(o2)C)C(=O)N3CCCCC3)/N4CCC(CC4) (C)C; Cc1oc(cc1C(=O)N2CCCCC2)c3cc(F)cc(N C(=N)N4CCC(C)(C)CC4)c3 |
~{N}-[3-fluoranyl-5-(5-methyl-4-piperidin-1-ylcarbonyl-furan-2-yl)phenyl]-4,4-dimethyl-piperidine-1-carboximidamide |
| 16301 | A1I6H | 1 | C15 H11 F3 N2 O2 S | InChI=1S/C15H11F3N2O2S/c1 6-15(17,18)11-5-3-4-10(8- 11)9-14-19-12-6-1-2-7-13( 12)23(21,22)20-14/h1-8H,9 H2,(H,19,20); IXHISIYNGIIOEL-UHFFFAOYSA-N |
c1ccc2c(c1)N=C(NS2(=O)=O)Cc3cccc(c3)C(F) (F)F; FC(F)(F)c1cccc(CC2=Nc3ccccc3[S](=O )(=O)N2)c1 |
3-[[3-(trifluoromethyl)phenyl]methyl]-2~{H}-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
| 16302 | A1I6I | 1 | C17 H19 F4 N3 O3 S | InChI=1S/C17H19F4N3O3S/c1 -23(2)28(26,27)8-9-4-3-5- 24(7-9)17(25)10-6-22-16-1 1(10)12(18)13(19)14(20)15 (16)21/h6,9,22H,3-5,7-8H2 ,1-2H3/t9-/m0/s1; WWUFKLXXIIQYLV-VIFPVBQESA-N |
CN(C)[S](=O)(=O)C[C@H]1CCCN(C1)C(=O)c2c[ nH]c3c(F)c(F)c(F)c(F)c23; CN(C)[S](=O)(= O)C[CH]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c( F)c(F)c23; CN(C)S(=O)(=O)C[C@H]1CCCN(C1) C(=O)c2c[nH]c3c2c(c(c(c3F)F)F)F; CN(C)S( =O)(=O)CC1CCCN(C1)C(=O)c2c[nH]c3c2c(c(c( c3F)F)F)F |
~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide |
| 16303 | A1I6J | 1 | C18 H16 F4 N4 O3 | InChI=1S/C18H16F4N4O3/c19 -10-9-8(6-23-15(9)13(22)1 2(21)11(10)20)16(27)25-26 -17(28)14(24-18(26)29)7-4 -2-1-3-5-7/h6-7,14,23H,1- 5H2,(H,24,29)(H,25,27)/t1 4-/m1/s1; PPXDFGIAKBMPEQ-CQSZACIVSA-N |
Fc1c(F)c(F)c2c([nH]cc2C(=O)NN3C(=O)N[C@H ](C4CCCCC4)C3=O)c1F; c1c(c2c([nH]1)c(c(c (c2F)F)F)F)C(=O)NN3C(=O)[C@H](NC3=O)C4CC CCC4; c1c(c2c([nH]1)c(c(c(c2F)F)F)F)C(=O )NN3C(=O)C(NC3=O)C4CCCCC4; Fc1c(F)c(F)c2 c([nH]cc2C(=O)NN3C(=O)N[CH](C4CCCCC4)C3= O)c1F |
~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide |
| 16304 | A1I6K | 1 | C25 H33 N5 O4 | InChI=1S/C25H33N5O4/c1-26 -22(31)14-20(15-8-4-6-13- 21(15)34-2)28-24(32)17-10 -7-12-18(17)27-25(33)23-1 6-9-3-5-11-19(16)29-30-23 /h4,6,8,13,17-18,20H,3,5, 7,9-12,14H2,1-2H3,(H,26,3 1)(H,27,33)(H,28,32)(H,29 ,30)/t17-,18-,20+/m1/s1; XBWJODVYRWUNDQ-GGPKGHCWSA-N |
CNC(=O)C[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(= O)c2n[nH]c3CCCCc23)c4ccccc4OC; CNC(=O)C[ CH](NC(=O)[CH]1CCC[CH]1NC(=O)c2n[nH]c3CC CCc23)c4ccccc4OC; CNC(=O)C[C@@H](c1ccccc 1OC)NC(=O)[C@@H]2CCC[C@H]2NC(=O)c3c4c([n H]n3)CCCC4; CNC(=O)CC(c1ccccc1OC)NC(=O)C 2CCCC2NC(=O)c3c4c([nH]n3)CCCC4 |
~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide |
| 16305 | A1I6L | 2 | C21 H24 N4 O4 | InChI=1S/C21H24N4O4/c1-26 -15-7-5-13(6-8-15)16-11-1 7(25-21(24-16)22-12-23-25 )14-9-18(27-2)20(29-4)19( 10-14)28-3/h5-10,12,16-17 H,11H2,1-4H3,(H,22,23,24) /t16-,17-/m0/s1; VXTFGJLFBGYAAG-IRXDYDNUSA-N |
COc1ccc(cc1)C2CC(n3c(ncn3)N2)c4cc(c(c(c4 )OC)OC)OC; COc1ccc(cc1)[C@@H]2C[C@H](n3n cnc3N2)c4cc(OC)c(OC)c(OC)c4; COc1ccc(cc1 )[CH]2C[CH](n3ncnc3N2)c4cc(OC)c(OC)c(OC) c4; COc1ccc(cc1)[C@@H]2C[C@H](n3c(ncn3)N 2)c4cc(c(c(c4)OC)OC)OC |
(5~{S},7~{S})-5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine; (S)-5-(4-methoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine |
| 16306 | A1I6M | 2 | C29 H18 Cl2 F3 N3 O3 | InChI=1S/C29H18Cl2F3N3O3/ c30-18-10-12-24-20(14-18) 26(36-37(24)27(38)25-21(2 9(32,33)34)7-4-8-22(25)31 )19-11-9-17(28(39)40)13-2 3(19)35-15-16-5-2-1-3-6-1 6/h1-14,35H,15H2,(H,39,40 ); WTUZIHBJMQDDTA-UHFFFAOYSA-N |
c1ccc(cc1)CNc2cc(ccc2c3c4cc(ccc4n(n3)C(= O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; OC(=O) c1ccc(c(NCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)c ccc4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(phenylmethyl)amino]benzoic acid |
| 16307 | A1I6N | 1 | C28 H22 Cl2 F3 N3 O4 | InChI=1S/C28H22Cl2F3N3O4/ c29-17-7-9-22-19(12-17)25 (35-36(22)26(37)24-20(28( 31,32)33)4-1-5-21(24)30)1 8-8-6-16(27(38)39)11-23(1 8)40-14-15-3-2-10-34-13-1 5/h1,4-9,11-12,15,34H,2-3 ,10,13-14H2,(H,38,39)/t15 -/m1/s1; JWPPVSRAHDQLMH-OAHLLOKOSA-N |
OC(=O)c1ccc(c(OC[C@@H]2CCCNC2)c1)c3nn(C( =O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c 1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc (cc4OCC5CCCNC5)C(=O)O)Cl)C(F)(F)F; c1cc( c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4 OC[C@@H]5CCCNC5)C(=O)O)Cl)C(F)(F)F; OC(= O)c1ccc(c(OC[CH]2CCCNC2)c1)c3nn(C(=O)c4c (Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(3~{R})-piperidin-3-yl]methoxy]benzoic acid |
| 16308 | A1I6O | 2 | C32 H22 Cl2 F3 N3 O5 | InChI=1S/C32H22Cl2F3N3O5/ c1-2-38-29(41)18-6-3-5-17 (13-18)16-45-26-14-19(31( 43)44)9-11-21(26)28-22-15 -20(33)10-12-25(22)40(39- 28)30(42)27-23(32(35,36)3 7)7-4-8-24(27)34/h3-15H,2 ,16H2,1H3,(H,38,41)(H,43, 44); UWUDYRVBNNJQAH-UHFFFAOYSA-N |
CCNC(=O)c1cccc(COc2cc(ccc2c3nn(C(=O)c4c( Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35)C(O)=O)c1 ; CCNC(=O)c1cccc(c1)COc2cc(ccc2c3c4cc(cc c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O )O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[3-(ethylcarbamoyl)phenyl]methoxy]benzoic acid |
| 16309 | A1I6P | 1 | C28 H22 Cl2 F3 N3 O4 | InChI=1S/C28H22Cl2F3N3O4/ c29-17-7-9-22-19(12-17)25 (35-36(22)26(37)24-20(28( 31,32)33)4-1-5-21(24)30)1 8-8-6-16(27(38)39)11-23(1 8)40-14-15-3-2-10-34-13-1 5/h1,4-9,11-12,15,34H,2-3 ,10,13-14H2,(H,38,39)/t15 -/m0/s1; JWPPVSRAHDQLMH-HNNXBMFYSA-N |
c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4cc c(cc4OCC5CCCNC5)C(=O)O)Cl)C(F)(F)F; c1cc (c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc 4OC[C@H]5CCCNC5)C(=O)O)Cl)C(F)(F)F; OC(= O)c1ccc(c(OC[C@H]2CCCNC2)c1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; OC(=O) c1ccc(c(OC[CH]2CCCNC2)c1)c3nn(C(=O)c4c(C l)cccc4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(3~{S})-piperidin-3-yl]methoxy]benzoic acid |
| 16310 | A1I6R | 2 | C33 H30 Cl2 F3 N3 O6 | InChI=1S/C33H30Cl2F3N3O6/ c1-32(2,3)47-31(45)40-13- 5-6-18(16-40)17-46-26-14- 19(30(43)44)9-11-21(26)28 -22-15-20(34)10-12-25(22) 41(39-28)29(42)27-23(33(3 6,37)38)7-4-8-24(27)35/h4 ,7-12,14-15,18H,5-6,13,16 -17H2,1-3H3,(H,43,44)/t18 -/m0/s1; MKGRWYUFQPHJIE-SFHVURJKSA-N |
CC(C)(C)OC(=O)N1CCC[C@H](COc2cc(ccc2c3nn (C(=O)c4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 )C(O)=O)C1; CC(C)(C)OC(=O)N1CCC[CH](COc2 cc(ccc2c3nn(C(=O)c4c(Cl)cccc4C(F)(F)F)c5 ccc(Cl)cc35)C(O)=O)C1; CC(C)(C)OC(=O)N1C CCC(C1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c 5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O; CC(C)(C)O C(=O)N1CCC[C@@H](C1)COc2cc(ccc2c3c4cc(cc c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O )O |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[[(3~{S})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]benzoic acid |
| 16311 | A1I6S | 2 | C28 H21 Cl2 F3 N2 O4 | InChI=1S/C28H21Cl2F3N2O4/ c29-17-9-11-22-19(13-17)2 5(34-35(22)26(36)24-20(28 (31,32)33)6-3-7-21(24)30) 18-10-8-16(27(37)38)12-23 (18)39-14-15-4-1-2-5-15/h 3,6-13,15H,1-2,4-5,14H2,( H,37,38); LFVBUTLTUQINGT-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCC2CCCC2)c1)c3nn(C(=O)c4c (Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1cc(c( c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OC C5CCCC5)C(=O)O)Cl)C(F)(F)F |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-(cyclopentylmethoxy)benzoic acid |
| 16312 | A1I6T | 1 | C29 H16 Cl2 F4 N2 O4 | InChI=1S/C29H16Cl2F4N2O4/ c30-16-9-12-22-19(13-16)2 5(36-37(22)27(38)23-20(29 (33,34)35)7-4-8-21(23)31) 18-11-10-17(28(39)40)24(3 2)26(18)41-14-15-5-2-1-3- 6-15/h1-13H,14H2,(H,39,40 ); HVUVQLNDRAOGAI-UHFFFAOYSA-N |
c1ccc(cc1)COc2c(ccc(c2F)C(=O)O)c3c4cc(cc c4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl; OC( =O)c1ccc(c(OCc2ccccc2)c1F)c3nn(C(=O)c4c( Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35 |
4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-2-fluoranyl-3-phenylmethoxy-benzoic acid |
| 16313 | A1I6U | 2 | C28 H16 Cl2 F3 N3 O4 | InChI=1S/C28H16Cl2F3N3O4/ c29-16-9-12-22-18(13-16)2 4(35-36(22)26(37)23-19(28 (31,32)33)7-4-8-20(23)30) 17-10-11-21(27(38)39)34-2 5(17)40-14-15-5-2-1-3-6-1 5/h1-13H,14H2,(H,38,39); ICINDMUXSMKYSA-UHFFFAOYSA-N |
OC(=O)c1ccc(c(OCc2ccccc2)n1)c3nn(C(=O)c4 c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35; c1ccc( cc1)COc2c(ccc(n2)C(=O)O)c3c4cc(ccc4n(n3) C(=O)c5c(cccc5Cl)C(F)(F)F)Cl |
5-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-6-phenylmethoxy-pyridine-2-carboxylic acid |
| 16314 | A1I6V | 2 | C13 H16 O3 | InChI=1S/C13H16O3/c1-8-5- 6-13(10(3)15,11(4)16)7-12 (8)9(2)14/h5-8H,1-4H3/t8- /m1/s1; STOJPEQBZJHLSX-MRVPVSSYSA-N |
C[C@@H]1C=CC(C=C1C(C)=O)(C(C)=O)C(C)=O; C[CH]1C=CC(C=C1C(C)=O)(C(C)=O)C(C)=O; CC 1C=CC(C=C1C(=O)C)(C(=O)C)C(=O)C; C[C@@H] 1C=CC(C=C1C(=O)C)(C(=O)C)C(=O)C |
1-[(6~{R})-3,3-diethanoyl-6-methyl-cyclohexa-1,4-dien-1-yl]ethanone |
| 16315 | A1I6W | 2 | C27 H31 N O6 | InChI=1S/C27H31NO6/c1-3-1 7(4-2)6-5-13-28-24(18-7-1 0-20(29)11-8-18)23(26(31) 27(28)32)25(30)19-9-12-21 -22(16-19)34-15-14-33-21/ h7-12,16-17,24,29,31H,3-6 ,13-15H2,1-2H3/t24-/m1/s1; LVWMEWWBGCUEEB-XMMPIXPASA-N |
CCC(CC)CCCN1[C@@H](C(=C(C1=O)O)C(=O)c2cc c3c(c2)OCCO3)c4ccc(cc4)O; CCC(CC)CCCN1[C H](c2ccc(O)cc2)C(=C(O)C1=O)C(=O)c3ccc4OC COc4c3; CCC(CC)CCCN1[C@H](c2ccc(O)cc2)C( =C(O)C1=O)C(=O)c3ccc4OCCOc4c3; CCC(CC)CC CN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c 4ccc(cc4)O |
(2~{R})-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-1-(4-ethylhexyl)-2-(4-hydroxyphenyl)-4-oxidanyl-2~{H}-pyrrol-5-one |
| 16316 | A1I6X | 2 | C18 H12 Cl2 F3 N3 O | InChI=1S/C18H12Cl2F3N3O/c 1-26-8-12(16(25-26)17(22) 23)18(27)24-15-5-3-10(21) 7-11(15)9-2-4-13(19)14(20 )6-9/h2-8,17H,1H3,(H,24,2 7); LDLMOOXUCMHBMZ-UHFFFAOYSA-N |
Cn1cc(c(n1)C(F)F)C(=O)Nc2ccc(cc2c3ccc(c( c3)Cl)Cl)F; Cn1cc(C(=O)Nc2ccc(F)cc2c3ccc (Cl)c(Cl)c3)c(n1)C(F)F |
bixafen; 3-[bis(fluoranyl)methyl]-~{N}-[2-(3,4-dichlorophenyl)-4-fluoranyl-phenyl]-1-methyl-pyrazole-4-carboxamide |
| 16317 | A1I6Z CHEMBL5314497 DB21623 |
1 | C22 H22 F N7 O | InChI=1S/C22H22FN7O/c1-4- 30-21-13(11-26-30)7-18-20 (28-29(3)27-18)16-6-5-15( 23)9-17(16)12(2)31-19-8-1 4(21)10-25-22(19)24/h5-6, 8-12H,4,7H2,1-3H3,(H2,24, 25)/t12-/m1/s1; DTWUUAFTYSMNQX-GFCCVEGCSA-N |
CCn1c-2c(cn1)Cc3c(nn(n3)C)-c4ccc(cc4[C@H ](Oc5cc2cnc5N)C)F; CCn1ncc2Cc3nn(C)nc3c4 ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12; CCn1c-2 c(cn1)Cc3c(nn(n3)C)-c4ccc(cc4C(Oc5cc2cnc 5N)C)F; CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[C @@H](C)Oc5cc(cnc5N)c12 |
Zidesamtinib |
| 16318 | A1I70 CHEMBL4241964 |
1 | C19 H19 N O5 | InChI=1S/C19H19NO5/c1-25- 17-12-14(7-9-16(17)21)8-1 0-18(22)20-15(19(23)24)11 -13-5-3-2-4-6-13/h2-10,12 ,15,21H,11H2,1H3,(H,20,22 )(H,23,24)/b10-8+/t15-/m0 /s1; LGXSIEAJQHZERP-HQPKTYMTSA-N |
COc1cc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C(O)= O)ccc1O; COc1cc(C=CC(=O)N[CH](Cc2ccccc2) C(O)=O)ccc1O; COc1cc(ccc1O)/C=C/C(=O)N[C @@H](Cc2ccccc2)C(=O)O; COc1cc(ccc1O)C=CC (=O)NC(Cc2ccccc2)C(=O)O |
(2~{S})-2-[[(~{E})-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]-3-phenyl-propanoic acid |
| 16319 | A1I71 | 2 | C18 H15 N6 O2 | InChI=1S/C18H15N6O2/c1-23 -11-13(10-21-23)14-5-2-4- 12-9-20-17(8-15(12)14)22- 18-16(24(25)26)6-3-7-19-1 8/h2-11H,1H3,(H,25,26)(H, 19,20,22)/q+1; FLMRXTCBMHGQAU-UHFFFAOYSA-N |
Cn1cc(cn1)c2cccc3cnc(Nc4ncccc4[N+](O)=O) cc23; Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4c(ccc n4)[N+](=O)O |
~{N}-(3-nitropyridin-2-yl)isoquinolin-3-amine |
| 16320 | A1I72 | 1 | C12 H15 N3 | InChI=1S/C12H15N3/c1-2-10 -11(8-15-12(10)14-5-1)9-3 -6-13-7-4-9/h1-2,5,8-9,13 H,3-4,6-7H2,(H,14,15); OUNKWLVIJBPPIF-UHFFFAOYSA-N |
c1cc2c(c[nH]c2nc1)C3CCNCC3; C1CC(CCN1)c2 c[nH]c3ncccc23 |
3-piperidin-4-yl-1~{H}-pyrrolo[2,3-b]pyridine |
| 16321 | A1I73 | 2 | C5 H5 Cl N2 | InChI=1S/C5H5ClN2/c6-4-1- 2-5(7)8-3-4/h1-3H,(H2,7,8 ); MAXBVGJEFDMHNV-UHFFFAOYSA-N |
Nc1ccc(Cl)cn1; c1cc(ncc1Cl)N | 5-chloranylpyridin-2-amine |
| 16322 | A1I74 | 2 | C8 H8 Cl N5 | InChI=1S/C8H8ClN5/c9-7-1- 2-8(11-3-7)12-6-14-5-10-4 -13-14/h1-5H,6H2,(H,11,12 ); WRZUECBLWLADJI-UHFFFAOYSA-N |
Clc1ccc(NCn2cncn2)nc1; c1cc(ncc1Cl)NCn2c ncn2 |
5-chloranyl-~{N}-(1,2,4-triazol-1-ylmethyl)pyridin-2-amine |
| 16323 | A1I75 | 2 | C5 H5 Br N2 | InChI=1S/C5H5BrN2/c6-4-1- 2-5(7)8-3-4/h1-3H,(H2,7,8 ); WGOLHUGPTDEKCF-UHFFFAOYSA-N |
Nc1ccc(Br)cn1; c1cc(ncc1Br)N | 5-bromanylpyridin-2-amine |
| 16324 | A1I76 | 1 | C11 H9 N3 S | InChI=1S/C11H9N3S/c1-8-12 -13-11-14(8)10(7-15-11)9- 5-3-2-4-6-9/h2-7H,1H3; JQMRMGDOZXEHEL-UHFFFAOYSA-N |
Cc1nnc2n1c(cs2)c3ccccc3; Cc1nnc2scc(n12) c3ccccc3 |
3-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole |
| 16325 | A1I77 | 2 | C9 H9 Cl N2 O2 | InChI=1S/C9H9ClN2O2/c10-7 -4-11-8(12-5-1-2-5)3-6(7) 9(13)14/h3-5H,1-2H2,(H,11 ,12)(H,13,14); NCSZLPPRCHEMOT-UHFFFAOYSA-N |
OC(=O)c1cc(NC2CC2)ncc1Cl; c1c(c(cnc1NC2C C2)Cl)C(=O)O |
5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxylic acid |
| 16326 | A1I78 | 2 | C13 H13 Cl N2 | InChI=1S/C13H13ClN2/c14-1 2-6-7-13(16-10-12)15-9-8- 11-4-2-1-3-5-11/h1-7,10H, 8-9H2,(H,15,16); OJJOGNKRRKJWCJ-UHFFFAOYSA-N |
Clc1ccc(NCCc2ccccc2)nc1; c1ccc(cc1)CCNc2 ccc(cn2)Cl |
5-chloranyl-~{N}-(2-phenylethyl)pyridin-2-amine |
| 16327 | A1I79 | 2 | C11 H13 Cl N4 O2 | InChI=1S/C11H13ClN4O2/c12 -8-4-14-10(16-6-1-2-6)3-7 (8)11(18)15-5-9(13)17/h3- 4,6H,1-2,5H2,(H2,13,17)(H ,14,16)(H,15,18); LWHCPXNYAQGAQP-UHFFFAOYSA-N |
NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl; c1c(c(c nc1NC2CC2)Cl)C(=O)NCC(=O)N |
~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide; OXO(PHENYL)ACETIC ACID |
| 16328 | A1I7E | 5 | C24 H22 N2 O3 | InChI=1S/C24H22N2O3/c27-2 0(19-12-16-2-4-22(29)26-8 -6-18(13-19)24(16)26)11-1 4-9-15-1-3-21(28)25-7-5-1 7(10-14)23(15)25/h9-10,12 -13H,1-8,11H2; ROYIOQKCYDUBTR-UHFFFAOYSA-N |
c1c(cc2c3c1CCC(=O)N3CC2)CC(=O)c4cc5c6c(c 4)CCN6C(=O)CC5; O=C1CCc2cc(CC(=O)c3cc4CC N5C(=O)CCc(c3)c45)cc6CCN1c26 |
6-[2-oxidanylidene-2-(11-oxidanylidene-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl)ethyl]-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-one |
| 16329 | A1I7K | 2 | C7 H7 Br N2 O | InChI=1S/C7H7BrN2O/c8-5-3 -6-7(10-4-5)9-1-2-11-6/h3 -4H,1-2H2,(H,9,10); CYISPVTTZWJFEO-UHFFFAOYSA-N |
c1c(cnc2c1OCCN2)Br; Brc1cnc2NCCOc2c1 | 7-bromanyl-3,4-dihydro-2~{H}-pyrido[3,2-b][1,4]oxazine |
| 16330 | A1I7W | 2 | C8 H8 N2 O | InChI=1S/C8H8N2O/c11-5-6- 4-10-8-7(6)2-1-3-9-8/h1-4 ,11H,5H2,(H,9,10); VWPSBHFXPGWHDI-UHFFFAOYSA-N |
OCc1c[nH]c2ncccc12; c1cc2c(c[nH]c2nc1)CO | 1~{H}-pyrrolo[2,3-b]pyridin-3-ylmethanol |
| 16331 | A1I7Y | 17 | C16 H21 N3 O2 S2 | InChI=1S/C16H21N3O2S2/c20 -14(17-10-4-3-5-11(22)8-1 0)7-2-1-6-13-15-12(9-23-1 3)18-16(21)19-15/h3-5,8,1 2-13,15,22H,1-2,6-7,9H2,( H,17,20)(H2,18,19,21)/t12 -,13-,15-/m0/s1; HLZRUWZNECQSHZ-YDHLFZDLSA-N |
Sc1cccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH ]23)c1; Sc1cccc(NC(=O)CCCC[C@@H]2SC[C@@H ]3NC(=O)N[C@H]23)c1; c1cc(cc(c1)S)NC(=O) CCCCC2C3C(CS2)NC(=O)N3; c1cc(cc(c1)S)NC( =O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 |
5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(3-sulfanylphenyl)pentanamide |
| 16332 | A1I80 | 2 | C12 H12 Cl N5 O | InChI=1S/C12H12ClN5O/c1-7 (6-19)18-5-10(16-17-18)11 -8-2-3-14-12(8)15-4-9(11) 13/h2-5,7,19H,6H2,1H3,(H, 14,15)/t7-/m0/s1; VEBUFUGPOQCNLA-ZETCQYMHSA-N |
CC(CO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl; C[C@@ H](CO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C H](CO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C @@H](CO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl |
(2~{S})-2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]propan-1-ol |
| 16333 | A1I81 | 2 | C12 H12 Cl N5 O2 | InChI=1S/C12H12ClN5O2/c13 -9-3-15-12-8(1-2-14-12)11 (9)10-5-18(17-16-10)4-7(2 0)6-19/h1-3,5,7,19-20H,4, 6H2,(H,14,15)/t7-/m1/s1; XEFQCXISOSGQEB-SSDOTTSWSA-N |
OC[C@H](O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 ; c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)C[C@H]( CO)O; c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC( CO)O; OC[CH](O)Cn1cc(nn1)c2c(Cl)cnc3[nH] ccc23 |
(2~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]propane-1,2-diol |
| 16334 | A1I82 | 2 | C12 H12 Cl N5 O2 | InChI=1S/C12H12ClN5O2/c13 -9-3-15-12-8(1-2-14-12)11 (9)10-5-18(17-16-10)4-7(2 0)6-19/h1-3,5,7,19-20H,4, 6H2,(H,14,15)/t7-/m0/s1; XEFQCXISOSGQEB-ZETCQYMHSA-N |
OC[C@@H](O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc2 3; c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC(CO) O; c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)C[C@@H ](CO)O; OC[CH](O)Cn1cc(nn1)c2c(Cl)cnc3[n H]ccc23 |
(2~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]propane-1,2-diol |
| 16335 | A1I83 | 2 | C7 H5 Br N2 | InChI=1S/C7H5BrN2/c8-6-3- 5-1-2-9-7(5)10-4-6/h1-4H, (H,9,10); LPTVWZSQAIDCEB-UHFFFAOYSA-N |
Brc1cnc2[nH]ccc2c1; c1c[nH]c2c1cc(cn2)Br | 5-bromanyl-1~{H}-pyrrolo[2,3-b]pyridine |
| 16336 | A1I84 | 2 | C11 H14 Cl N3 O2 | InChI=1S/C11H14ClN3O2/c12 -9-6-14-10(15-7-1-2-7)5-8 (9)11(17)13-3-4-16/h5-7,1 6H,1-4H2,(H,13,17)(H,14,1 5); QUXONIHSWZGNKT-UHFFFAOYSA-N |
c1c(c(cnc1NC2CC2)Cl)C(=O)NCCO; OCCNC(=O) c1cc(NC2CC2)ncc1Cl |
5-chloranyl-2-(cyclopropylamino)-~{N}-(2-hydroxyethyl)pyridine-4-carboxamide |
| 16337 | A1I86 | 2 | C20 H20 Cl N5 O | InChI=1S/C20H20ClN5O/c21- 18-13-23-19(24-14-6-7-14) 12-17(18)20(27)22-10-8-15 -9-11-26(25-15)16-4-2-1-3 -5-16/h1-5,9,11-14H,6-8,1 0H2,(H,22,27)(H,23,24); LNUSJKFHICQGGL-UHFFFAOYSA-N |
c1ccc(cc1)n2ccc(n2)CCNC(=O)c3cc(ncc3Cl)N C4CC4; Clc1cnc(NC2CC2)cc1C(=O)NCCc3ccn(n 3)c4ccccc4 |
5-chloranyl-2-(cyclopropylamino)-~{N}-[2-(1-phenylpyrazol-3-yl)ethyl]pyridine-4-carboxamide |
| 16338 | A1I87 | 1 | C31 H35 N O6 | InChI=1S/C31H35NO6/c1-36- 25-13-7-22(8-14-25)31(23- 9-15-26(37-2)16-10-23,24- 11-17-27(38-3)18-12-24)19 -5-21-32-20-4-6-28(32)29( 33)30(34)35/h5,7-19,28-29 ,33H,4,6,20-21H2,1-3H3,(H ,34,35)/b19-5+/t28-,29+/m 1/s1; AJWBGJGXCPZIJP-WPJMUUSFSA-N |
COc1ccc(cc1)C(C=CCN2CCC[CH]2[CH](O)C(O)= O)(c3ccc(OC)cc3)c4ccc(OC)cc4; COc1ccc(cc 1)C(C=CCN2CCCC2C(C(=O)O)O)(c3ccc(cc3)OC) c4ccc(cc4)OC; COc1ccc(cc1)C(/C=C/CN2CCC[ C@@H]2[C@@H](C(=O)O)O)(c3ccc(cc3)OC)c4cc c(cc4)OC; COc1ccc(cc1)C(\C=C\CN2CCC[C@@H ]2[C@H](O)C(O)=O)(c3ccc(OC)cc3)c4ccc(OC) cc4 |
(2S, 2'R)-2-hydroxy-2-(1-((E)-4,4,4-tris(4-methoxyphenyl)but-2-en-1-yl)pyrrolidin-2'-yl)acetic acid; (2~{S})-2-oxidanyl-2-[(2~{R})-1-[(~{E})-4,4,4-tris(4-methoxyphenyl)but-2-enyl]pyrrolidin-2-yl]ethanoic acid |
| 16339 | A1I88 | 1 | C15 H12 F3 N5 O4 | InChI=1S/C15H12F3N5O4/c16 -12-10-11(23(22-12)3-4-24 )13(25)21-14(20-10)19-6-7 -1-2-8-9(5-7)27-15(17,18) 26-8/h1-2,5,24H,3-4,6H2,( H2,19,20,21,25); KHEIVJSMPVGALA-UHFFFAOYSA-N |
c1cc2c(cc1CNC3=Nc4c(n(nc4F)CCO)C(=O)N3)O C(O2)(F)F; OCCn1nc(F)c2N=C(NCc3ccc4OC(F) (F)Oc4c3)NC(=O)c12 |
5-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methylamino]-3-fluoranyl-1-(2-hydroxyethyl)-6~{H}-pyrazolo[4,3-d]pyrimidin-7-one |
| 16340 | A1I89 | 1 | C39 H37 F3 N6 O5 | InChI=1S/C39H37F3N6O5/c1- 4-25-28(41)9-6-20-12-24(4 9)13-26(29(20)25)31-30(42 )32-27(15-43-31)34(45-37( 44-32)52-19-39-10-5-11-47 (39)16-21(40)14-39)46-17- 22-7-8-23(18-46)48(22)35( 50)33-38(2,3)36(51)53-33/ h1,6,9,12-13,15,21-23,33, 49H,5,7-8,10-11,14,16-19H 2,2-3H3/t21-,22-,23+,33+, 39+/m1/s1; CRALQCNGTOLNEF-YWJVQCMDSA-N |
CC1([C@@H](OC1=O)C(=O)N2[C@@H]3CC[C@H]2C N(C3)c4c5cnc(c(c5nc(n4)OC[C@@]67CCCN6C[C @@H](C7)F)F)c8cc(cc9c8c(c(cc9)F)C#C)O)C; CC1(C(OC1=O)C(=O)N2C3CCC2CN(C3)c4c5cnc( c(c5nc(n4)OCC67CCCN6CC(C7)F)F)c8cc(cc9c8 c(c(cc9)F)C#C)O)C; CC1(C)[CH](OC1=O)C(=O )N2[CH]3CC[CH]2CN(C3)c4nc(OC[C]56CCCN5C[ CH](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F) c(C#C)c89; CC1(C)[C@@H](OC1=O)C(=O)N2[C@ H]3CC[C@@H]2CN(C3)c4nc(OC[C@@]56CCCN5C[C @H](F)C6)nc7c(F)c(ncc47)c8cc(O)cc9ccc(F) c(C#C)c89 |
(4~{R})-4-[[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]carbonyl]-3,3-dimethyl-oxetan-2-one |
| 16341 | A1I8A | 2 | C11 H8 Cl N3 | InChI=1S/C11H8ClN3/c12-8- 6-15-11-7(3-5-14-11)10(8) 9-2-1-4-13-9/h1-6,13H,(H, 14,15); KMLIIVCUTYVRRH-UHFFFAOYSA-N |
Clc1cnc2[nH]ccc2c1c3[nH]ccc3; c1cc([nH]c 1)c2c3cc[nH]c3ncc2Cl |
5-chloranyl-4-(1~{H}-pyrrol-2-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| 16342 | A1I8B | 5 | C10 H7 Cl N4 | InChI=1S/C10H7ClN4/c11-7- 5-13-10-6(1-3-12-10)9(7)8 -2-4-14-15-8/h1-5H,(H,12, 13)(H,14,15); PICMQXAHVSQYFM-UHFFFAOYSA-N |
c1c[nH]c2c1c(c(cn2)Cl)c3ccn[nH]3; Clc1cn c2[nH]ccc2c1c3[nH]ncc3 |
5-chloranyl-4-(1~{H}-pyrazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| 16343 | A1I8D | 1 | C11 H9 N3 O S | InChI=1S/C11H9N3OS/c15-6- 10-12-13-11-14(10)9(7-16- 11)8-4-2-1-3-5-8/h1-5,7,1 5H,6H2; ILRITMYZUAKNSZ-UHFFFAOYSA-N |
c1ccc(cc1)c2csc3n2c(nn3)CO; OCc1nnc2scc( n12)c3ccccc3 |
(5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)methanol |
| 16344 | A1I8E | 2 | C7 H5 I N2 | InChI=1S/C7H5IN2/c8-6-3-5 -1-2-9-7(5)10-4-6/h1-4H,( H,9,10); CYMDPTJBUBTWEY-UHFFFAOYSA-N |
c1c[nH]c2c1cc(cn2)I; Ic1cnc2[nH]ccc2c1 | 5-iodanyl-1~{H}-pyrrolo[2,3-b]pyridine |
| 16345 | A1I8F | 2 | C7 H5 Cl N2 | InChI=1S/C7H5ClN2/c8-6-3- 5-1-2-9-7(5)10-4-6/h1-4H, (H,9,10); MFZQJIKENSPRSJ-UHFFFAOYSA-N |
Clc1cnc2[nH]ccc2c1; c1c[nH]c2c1cc(cn2)Cl | 5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridine |
| 16346 | A1I8G | 2 | C8 H8 N4 | InChI=1S/C8H8N4/c9-8-5-6( 1-3-10-8)7-2-4-11-12-7/h1 -5H,(H2,9,10)(H,11,12); WYWGOKSCOJBUHQ-UHFFFAOYSA-N |
Nc1cc(ccn1)c2cc[nH]n2; c1c[nH]nc1c2ccnc( c2)N |
4-(1~{H}-pyrazol-3-yl)pyridin-2-amine |
| 16347 | A1I8H | 2 | C8 H7 Cl N4 | InChI=1S/C8H7ClN4/c9-6-4- 11-8(10)3-5(6)7-1-2-12-13 -7/h1-4H,(H2,10,11)(H,12, 13); XELYCWITTMSBDP-UHFFFAOYSA-N |
Nc1cc(c(Cl)cn1)c2[nH]ncc2; c1cn[nH]c1c2c c(ncc2Cl)N |
5-chloranyl-4-(1~{H}-pyrazol-5-yl)pyridin-2-amine |
| 16348 | A1I8M | 2 | C9 H6 Cl N5 | InChI=1S/C9H6ClN5/c10-6-3 -12-9-5(1-2-11-9)8(6)7-4- 13-15-14-7/h1-4H,(H,11,12 )(H,13,14,15); YUIHMYKCTNUMCI-UHFFFAOYSA-N |
c1c[nH]c2c1c(c(cn2)Cl)c3c[nH]nn3; Clc1cn c2[nH]ccc2c1c3c[nH]nn3 |
5-chloranyl-4-(1~{H}-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| 16349 | A1I8O | 2 | C16 H12 Cl N5 | InChI=1S/C16H12ClN5/c17-1 3-8-19-16-12(6-7-18-16)15 (13)14-10-22(21-20-14)9-1 1-4-2-1-3-5-11/h1-8,10H,9 H2,(H,18,19); QVPAPBNNZKOWAY-UHFFFAOYSA-N |
c1ccc(cc1)Cn2cc(nn2)c3c4cc[nH]c4ncc3Cl; Clc1cnc2[nH]ccc2c1c3cn(Cc4ccccc4)nn3 |
5-chloranyl-4-[1-(phenylmethyl)-1,2,3-triazol-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine |
| 16350 | A1I8P | 4 | C21 H21 N3 O2 | InChI=1S/C21H21N3O2/c1-15 -14-19(23-26-15)22-21(25) 20(17-9-3-2-4-10-17)24-13 -7-11-16-8-5-6-12-18(16)2 4/h2-6,8-10,12,14,20H,7,1 1,13H2,1H3,(H,22,23,25)/t 20-/m1/s1; KSEXDSJYVSEVGF-HXUWFJFHSA-N |
Cc1onc(NC(=O)[C@H](N2CCCc3ccccc23)c4cccc c4)c1; Cc1onc(NC(=O)[CH](N2CCCc3ccccc23) c4ccccc4)c1; Cc1cc(no1)NC(=O)C(c2ccccc2) N3CCCc4c3cccc4; Cc1cc(no1)NC(=O)[C@@H](c 2ccccc2)N3CCCc4c3cccc4 |
(2~{R})-2-(3,4-dihydro-2~{H}-quinolin-1-yl)-~{N}-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide |
| 16351 | A1I8Q | 0 | C17 H25 N O2 S2 | InChI=1S/C17H25NO2S2/c1-1 4(11-21-8-4-7-18-2)12-22- 13-16-6-3-5-15(9-16)10-17 (19)20/h3,5-6,9,18H,1,4,7 -8,10-13H2,2H3,(H,19,20); VHHFTIAJKBKUOZ-UHFFFAOYSA-N |
CNCCCSCC(=C)CSCc1cccc(c1)CC(=O)O; CNCCCS CC(=C)CSCc1cccc(CC(O)=O)c1 |
2-[3-[2-[3-(methylamino)propylsulfanylmethyl]prop-2-enylsulfanylmethyl]phenyl]ethanoic acid |
| 16352 | A1I8R | 0 | C4 H9 N O2 | InChI=1S/C4H9NO2/c1-5-3-2 -4(6)7/h5H,2-3H2,1H3,(H,6 ,7); VDIPNVCWMXZNFY-UHFFFAOYSA-N |
CNCCC(O)=O; CNCCC(=O)O | N-methyl-beta-alanine |
| 16353 | A1I8S | 2 | C11 H10 Cl N5 O | InChI=1S/C11H10ClN5O/c12- 8-5-14-11-7(1-2-13-11)10( 8)9-6-17(3-4-18)16-15-9/h 1-2,5-6,18H,3-4H2,(H,13,1 4); VOHMYJMPPHXBIF-UHFFFAOYSA-N |
OCCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23; c1c[nH ]c2c1c(c(cn2)Cl)c3cn(nn3)CCO |
2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanol |
| 16354 | A1I8T | 2 | C15 H10 Cl N5 | InChI=1S/C15H10ClN5/c16-1 2-8-18-15-11(6-7-17-15)14 (12)13-9-21(20-19-13)10-4 -2-1-3-5-10/h1-9H,(H,17,1 8); UWZZSCUXYKAYDG-UHFFFAOYSA-N |
Clc1cnc2[nH]ccc2c1c3cn(nn3)c4ccccc4; c1c cc(cc1)n2cc(nn2)c3c4cc[nH]c4ncc3Cl |
5-chloranyl-4-(1-phenyl-1,2,3-triazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine |
| 16355 | A1I8U | 2 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c1-8 (20)3-5-19-7-11(17-18-19) 12-9-2-4-15-13(9)16-6-10( 12)14/h2,4,6-8,20H,3,5H2, 1H3,(H,15,16)/t8-/m0/s1; QZDNOLIGACZVIG-QMMMGPOBSA-N |
C[CH](O)CCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23; CC(CCn1cc(nn1)c2c3cc[nH]c3ncc2Cl)O; C[C @H](O)CCn1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C [C@@H](CCn1cc(nn1)c2c3cc[nH]c3ncc2Cl)O |
(2~{S})-4-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-2-ol |
| 16356 | A1I8V | 2 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c1-8 (7-20)5-19-6-11(17-18-19) 12-9-2-3-15-13(9)16-4-10( 12)14/h2-4,6,8,20H,5,7H2, 1H3,(H,15,16)/t8-/m0/s1; AHVJTVIIVOMNQW-QMMMGPOBSA-N |
C[CH](CO)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C@@H](Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl)CO ; CC(Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl)CO; C[ C@H](CO)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
(2~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]-2-methyl-propan-1-ol |
| 16357 | A1I8W | 2 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c1-8 (7-20)5-19-6-11(17-18-19) 12-9-2-3-15-13(9)16-4-10( 12)14/h2-4,6,8,20H,5,7H2, 1H3,(H,15,16)/t8-/m1/s1; AHVJTVIIVOMNQW-MRVPVSSYSA-N |
C[CH](CO)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C@H](Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl)CO; CC(Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl)CO; C[C @@H](CO)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
(2~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]-2-methyl-propan-1-ol |
| 16358 | A1I8X | 2 | C11 H9 Cl N6 O | InChI=1S/C11H9ClN6O/c12-7 -3-15-11-6(1-2-14-11)10(7 )8-4-18(17-16-8)5-9(13)19 /h1-4H,5H2,(H2,13,19)(H,1 4,15); DHQUJKOJRVQESG-UHFFFAOYSA-N |
c1c[nH]c2c1c(c(cn2)Cl)c3cn(nn3)CC(=O)N; NC(=O)Cn1cc(nn1)c2c(Cl)cnc3[nH]ccc23 |
2-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]ethanamide |
| 16359 | A1I8Y | 2 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c1-8 (3-5-20)19-7-11(17-18-19) 12-9-2-4-15-13(9)16-6-10( 12)14/h2,4,6-8,20H,3,5H2, 1H3,(H,15,16)/t8-/m0/s1; HSNOEVRDARBPHZ-QMMMGPOBSA-N |
C[CH](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C@@H](CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl ; C[C@@H](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]cc c23; CC(CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl |
(3~{S})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol |
| 16360 | A1I8Z | 2 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c1-8 (3-5-20)19-7-11(17-18-19) 12-9-2-4-15-13(9)16-6-10( 12)14/h2,4,6-8,20H,3,5H2, 1H3,(H,15,16)/t8-/m1/s1; HSNOEVRDARBPHZ-MRVPVSSYSA-N |
C[CH](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc23; C[C@H](CCO)n1cc(nn1)c2c(Cl)cnc3[nH]ccc2 3; CC(CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl; C [C@H](CCO)n1cc(nn1)c2c3cc[nH]c3ncc2Cl |
(3~{R})-3-[4-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,2,3-triazol-1-yl]butan-1-ol |
| 16361 | A1I90 | 2 | C33 H33 Cl N4 O2 | InChI=1S/C33H33ClN4O2/c34 -30-19-23(11-13-26(30)24- 9-5-4-6-10-24)21-35-16-7- 2-1-3-8-17-37-32-28-15-18 -36-22-29(28)27-14-12-25( 33(39)40)20-31(27)38-32/h 4-6,9-15,18-20,22,35H,1-3 ,7-8,16-17,21H2,(H,37,38) (H,39,40); RWKALSQWOILJQR-UHFFFAOYSA-N |
OC(=O)c1ccc2c(c1)nc(NCCCCCCCNCc3ccc(c(Cl )c3)c4ccccc4)c5ccncc25; c1ccc(cc1)c2ccc( cc2Cl)CNCCCCCCCNc3c4ccncc4c5ccc(cc5n3)C( =O)O |
5-[7-[(3-chloranyl-4-phenyl-phenyl)methylamino]heptylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16362 | A1I92 | 2 | C34 H35 N5 O4 | InChI=1S/C34H35N5O4/c1-43 -31-7-3-2-6-26(31)24-10-8 -23(9-11-24)21-35-19-15-3 2(40)37-16-4-5-17-38-33-2 8-14-18-36-22-29(28)27-13 -12-25(34(41)42)20-30(27) 39-33/h2-3,6-14,18,20,22, 35H,4-5,15-17,19,21H2,1H3 ,(H,37,40)(H,38,39)(H,41, 42); MLRACBBMQSUECU-UHFFFAOYSA-N |
COc1ccccc1c2ccc(CNCCC(=O)NCCCCNc3nc4cc(c cc4c5cnccc35)C(O)=O)cc2; COc1ccccc1c2ccc (cc2)CNCCC(=O)NCCCCNc3c4ccncc4c5ccc(cc5n 3)C(=O)O |
5-[4-[3-[[4-(2-methoxyphenyl)phenyl]methylamino]propanoylamino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16363 | A1I93 | 2 | C14 H11 N3 O2 | InChI=1S/C14H11N3O2/c1-15 -13-10-4-5-16-7-11(10)9-3 -2-8(14(18)19)6-12(9)17-1 3/h2-7H,1H3,(H,15,17)(H,1 8,19); UUFGCPLCMABNIX-UHFFFAOYSA-N |
CNc1nc2cc(ccc2c3cnccc13)C(O)=O; CNc1c2cc ncc2c3ccc(cc3n1)C(=O)O |
5-(methylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16364 | A1I9A | 2 | C12 H17 N2 O4 S2 | InChI=1S/C12H16N2O4S2/c1- 14(2,3)6-7-19-20-9-4-5-11 (13(17)18)10(8-9)12(15)16 /h4-5,8H,6-7H2,1-3H3/p+1; HRJGWYMNBPLENY-UHFFFAOYSA-O |
C[N+](C)(C)CCSSc1ccc(c(c1)C(O)=O)[N+]([O -])=O; C[N+](C)(C)CCSSc1ccc(c(c1)C(=O)O) [N+](=O)[O-] |
2-[(3-carboxy-4-nitro-phenyl)disulfanyl]ethyl-trimethyl-azanium |
| 16365 | A1I9D CHEMBL1348082 |
1 | C21 H28 Cl N3 O3 S | InChI=1S/C21H28ClN3O3S/c1 -14-9-10-18(17(22)13-14)2 3-29(27,28)20-16(3)24(4)1 5(2)19(20)21(26)25-11-7-5 -6-8-12-25/h9-10,13,23H,5 -8,11-12H2,1-4H3; QJDVOMDNBMNOMJ-UHFFFAOYSA-N |
Cn1c(C)c(C(=O)N2CCCCCC2)c(c1C)[S](=O)(=O )Nc3ccc(C)cc3Cl; Cc1ccc(c(c1)Cl)NS(=O)(= O)c2c(n(c(c2C(=O)N3CCCCCC3)C)C)C |
4-(azepan-1-ylcarbonyl)-~{N}-(2-chloranyl-4-methyl-phenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide |
| 16366 | A1I9E | 1 | C40 H41 F3 N6 O5 | InChI=1S/C40H41F3N6O5/c1- 4-27-30(42)10-7-22-13-26( 50)14-28(32(22)27)34-33(4 3)35-29(17-44-34)36(46-38 (45-35)54-21-40-11-6-12-4 8(40)18-23(41)15-40)47-19 -24-8-9-25(20-47)49(24)31 (51)16-39(3,5-2)37(52)53/ h1,7,10,13-14,17,23-25,50 H,5-6,8-9,11-12,15-16,18- 21H2,2-3H3,(H,52,53)/t23- ,24-,25+,39-,40+/m1/s1; GINOIAWPJHXASS-SWJUONCMSA-N |
CC[C](C)(CC(=O)N1[CH]2CC[CH]1CN(C2)c3nc( OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7 cc(O)cc8ccc(F)c(C#C)c78)C(O)=O; CC[C@](C )(CC(=O)N1[C@@H]2CC[C@H]1CN(C2)c3c4cnc(c (c4nc(n3)OC[C@@]56CCCN5C[C@@H](C6)F)F)c7 cc(cc8c7c(c(cc8)F)C#C)O)C(=O)O; CC[C@](C )(CC(=O)N1[C@@H]2CC[C@H]1CN(C2)c3nc(OC[C @@]45CCCN4C[C@H](F)C5)nc6c(F)c(ncc36)c7c c(O)cc8ccc(F)c(C#C)c78)C(O)=O; CCC(C)(CC (=O)N1C2CCC1CN(C2)c3c4cnc(c(c4nc(n3)OCC5 6CCCN5CC(C6)F)F)c7cc(cc8c7c(c(cc8)F)C#C) O)C(=O)O |
(2~{R})-2-ethyl-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-4-oxidanylidene-butanoic acid |
| 16367 | A1I9F | 1 | C44 H47 F3 N6 O6 | InChI=1S/C44H47F3N6O6/c1- 3-31-34(46)8-5-26-15-30(5 4)16-32(36(26)31)38-37(47 )39-33(20-48-38)40(50-42( 49-39)59-24-44-11-4-12-52 (44)21-27(45)18-44)51-22- 28-6-7-29(23-51)53(28)35( 55)19-43(2,41(56)57)17-25 -9-13-58-14-10-25/h1,5,8, 15-16,20,25,27-29,54H,4,6 -7,9-14,17-19,21-24H2,2H3 ,(H,56,57)/t27-,28-,29+,4 3+,44+/m1/s1; AVHFAHOTCCADCO-DSTFDACYSA-N |
C[C@](CC1CCOCC1)(CC(=O)N2[C@@H]3CC[C@H]2 CN(C3)c4nc(OC[C@@]56CCCN5C[C@H](F)C6)nc7 c(F)c(ncc47)c8cc(O)cc9ccc(F)c(C#C)c89)C( O)=O; CC(CC1CCOCC1)(CC(=O)N2C3CCC2CN(C3) c4c5cnc(c(c5nc(n4)OCC67CCCN6CC(C7)F)F)c8 cc(cc9c8c(c(cc9)F)C#C)O)C(=O)O; C[C@](CC 1CCOCC1)(CC(=O)N2[C@@H]3CC[C@H]2CN(C3)c4 c5cnc(c(c5nc(n4)OC[C@@]67CCCN6C[C@@H](C7 )F)F)c8cc(cc9c8c(c(cc9)F)C#C)O)C(=O)O; C [C](CC1CCOCC1)(CC(=O)N2[CH]3CC[CH]2CN(C3 )c4nc(OC[C]56CCCN5C[CH](F)C6)nc7c(F)c(nc c47)c8cc(O)cc9ccc(F)c(C#C)c89)C(O)=O |
(2~{S})-4-[(1~{R},5~{S})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-methyl-2-(oxan-4-ylmethyl)-4-oxidanylidene-butanoic acid |
| 16368 | A1I9G | 0 | C7 H11 N3 O2 | InChI=1S/C7H11N3O2/c1-4(6 (8)7(11)12)5-2-9-3-10-5/h 2-4,6H,8H2,1H3,(H,9,10)(H ,11,12)/t4-,6-/m0/s1; BBRKPOSUKSXFJU-NJGYIYPDSA-N |
C[C@@H](c1cnc[nH]1)[C@@H](C(=O)O)N; CC(c 1cnc[nH]1)C(C(=O)O)N; C[CH]([CH](N)C(O)= O)c1[nH]cnc1; C[C@H]([C@H](N)C(O)=O)c1[n H]cnc1 |
3(S)-methyl-histidine; (2~{S},3~{R})-2-azanyl-3-(1~{H}-imidazol-5-yl)butanoic acid |
| 16369 | A1I9L | 1 | C28 H29 F3 N6 O4 | InChI=1S/C28H29F3N6O4/c29 -28(30,31)41-20-12-17(11- 19(13-20)26(33)39)15-34-6 -1-2-9-40-10-8-36-27-22-5 -7-35-16-23(22)21-4-3-18( 25(32)38)14-24(21)37-27/h 3-5,7,11-14,16,34H,1-2,6, 8-10,15H2,(H2,32,38)(H2,3 3,39)(H,36,37); BYUOTROFDJYVHI-UHFFFAOYSA-N |
NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3cc(OC(F) (F)F)cc(c3)C(N)=O)c4ccncc24; c1cc2c(cc1C (=O)N)nc(c3c2cncc3)NCCOCCCCNCc4cc(cc(c4) OC(F)(F)F)C(=O)N |
5-[2-[4-[[3-aminocarbonyl-5-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide |
| 16370 | A1I9M | 2 | C28 H25 Cl2 N5 O4 | InChI=1S/C28H25Cl2N5O4/c2 9-22-5-2-17(14-23(22)30)8 -13-33-26(37)7-6-25(36)32 -10-1-11-34-27-20-9-12-31 -16-21(20)19-4-3-18(28(38 )39)15-24(19)35-27/h2-5,9 -10,12,14-16H,1,6-8,11,13 H2,(H,33,37)(H,34,35)(H,3 8,39)/b32-10+; MDSSDLXQZDAQAA-INRUPRTJSA-N |
c1cc(c(cc1CCNC(=O)CCC(=O)N=CCCNc2c3ccncc 3c4ccc(cc4n2)C(=O)O)Cl)Cl; c1cc(c(cc1CCN C(=O)CCC(=O)/N=C/CCNc2c3ccncc3c4ccc(cc4n 2)C(=O)O)Cl)Cl; OC(=O)c1ccc2c(c1)nc(NCCC =NC(=O)CCC(=O)NCCc3ccc(Cl)c(Cl)c3)c4ccnc c24 |
5-[[(3~{E})-3-[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]iminopropyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16371 | A1I9N | 2 | C29 H29 Cl2 N5 O4 | InChI=1S/C29H29Cl2N5O4/c3 0-23-6-3-18(15-24(23)31)9 -14-34-27(38)8-7-26(37)33 -11-1-2-12-35-28-21-10-13 -32-17-22(21)20-5-4-19(29 (39)40)16-25(20)36-28/h3- 6,10,13,15-17H,1-2,7-9,11 -12,14H2,(H,33,37)(H,34,3 8)(H,35,36)(H,39,40); AWZFEGDGNPINFI-UHFFFAOYSA-N |
OC(=O)c1ccc2c(c1)nc(NCCCCNC(=O)CCC(=O)NC Cc3ccc(Cl)c(Cl)c3)c4ccncc24; c1cc(c(cc1C CNC(=O)CCC(=O)NCCCCNc2c3ccncc3c4ccc(cc4n 2)C(=O)O)Cl)Cl |
5-[4-[[4-[2-(3,4-dichlorophenyl)ethylamino]-4-oxidanylidene-butanoyl]amino]butylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16372 | A1I9O | 2 | C32 H31 Cl N4 O2 | InChI=1S/C32H31ClN4O2/c33 -29-18-22(10-12-25(29)23- 8-4-3-5-9-23)20-34-15-6-1 -2-7-16-36-31-27-14-17-35 -21-28(27)26-13-11-24(32( 38)39)19-30(26)37-31/h3-5 ,8-14,17-19,21,34H,1-2,6- 7,15-16,20H2,(H,36,37)(H, 38,39); WNCLMUDYXAUOPB-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2Cl)CNCCCCCCNc3c4ccncc 4c5ccc(cc5n3)C(=O)O; OC(=O)c1ccc2c(c1)nc (NCCCCCCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc 25 |
5-[6-[(3-chloranyl-4-phenyl-phenyl)methylamino]hexylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16373 | A1I9T CHEMBL4571518 DB16189 |
1 | C18 H20 Cl2 N6 O2 | InChI=1S/C18H20Cl2N6O2/c1 9-13-2-1-12(9-14(13)20)10 -21-18-23-16-15(17(27)24- 18)26(11-22-16)4-3-25-5-7 -28-8-6-25/h1-2,9,11H,3-8 ,10H2,(H2,21,23,24,27); DEGSGBKTODESHH-UHFFFAOYSA-N |
c1cc(c(cc1CNC2=Nc3c(n(cn3)CCN4CCOCC4)C(= O)N2)Cl)Cl; Clc1ccc(CNC2=Nc3ncn(CCN4CCOC C4)c3C(=O)N2)cc1Cl |
Ibezapolstat; 2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1~{H}-purin-6-one |
| 16374 | A1I9U | 0 | C9 H14 O8 | InChI=1S/C9H14O8/c1-9(8(1 3)14)15-2-3-6(17-9)4(10)5 (11)7(12)16-3/h3-7,10-12H ,2H2,1H3,(H,13,14)/t3-,4+ ,5-,6-,7+,9-/m0/s1; QVVFNJUJKXWFAU-QTMLJZJBSA-N |
CC1(OCC2C(O1)C(C(C(O2)O)O)O)C(=O)O; C[C] 1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C (O)=O; C[C@@]1(OC[C@H]2[C@H](O1)[C@@H]([ C@@H]([C@@H](O2)O)O)O)C(=O)O; C[C@@]1(OC [C@@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@H] 2O1)C(O)=O |
(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
| 16375 | A1I9V | 0 | C10 H15 N2 O8 P S | InChI=1S/C10H15N2O8PS/c1- 4-2-12(10(22)11-8(4)15)9- 7(14)6(13)5(20-9)3-19-21( 16,17)18/h2,5-7,9,13-14H, 3H2,1H3,(H,11,15,22)(H2,1 6,17,18)/t5-,6-,7-,9-/m1/ s1; TYPPXSBSSBTYPX-JXOAFFINSA-N |
CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H ](O)[C@H]2O)C(=S)NC1=O; CC1=CN(C(=S)NC1= O)C2C(C(C(O2)COP(=O)(O)O)O)O; CC1=CN([CH ]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=S )NC1=O; CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([ C@@H]([C@H](O2)COP(=O)(O)O)O)O |
5-METHYL-2-THIO-URIDINE-5'-MONOPHOSPHATE; [(2~{R},3~{S},4~{R},5~{R})-5-(5-methyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| 16376 | A1I9Z | 2 | C34 H35 Cl N4 O2 | InChI=1S/C34H35ClN4O2/c35 -31-20-24(12-14-27(31)25- 10-6-5-7-11-25)22-36-17-8 -3-1-2-4-9-18-38-33-29-16 -19-37-23-30(29)28-15-13- 26(34(40)41)21-32(28)39-3 3/h5-7,10-16,19-21,23,36H ,1-4,8-9,17-18,22H2,(H,38 ,39)(H,40,41); VGQAWBLHDGJLEH-UHFFFAOYSA-N |
OC(=O)c1ccc2c(c1)nc(NCCCCCCCCNCc3ccc(c(C l)c3)c4ccccc4)c5ccncc25; c1ccc(cc1)c2ccc (cc2Cl)CNCCCCCCCCNc3c4ccncc4c5ccc(cc5n3) C(=O)O |
5-[8-[(3-chloranyl-4-phenyl-phenyl)methylamino]octylamino]benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 16377 | A1IA0 | 1 | C21 H22 N2 O3 | InChI=1S/C21H22N2O3/c24-2 0-14-26-19-7-6-17(13-18(1 9)22-20)21(25)23-10-8-16( 9-11-23)12-15-4-2-1-3-5-1 5/h1-7,13,16H,8-12,14H2,( H,22,24); HMRLNXQKADQRFT-UHFFFAOYSA-N |
O=C1COc2ccc(cc2N1)C(=O)N3CCC(CC3)Cc4cccc c4; c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc4c(c3 )NC(=O)CO4 |
6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one |
| 16378 | A1IA1 | 1 | C22 H20 Cl N3 O3 | InChI=1S/C22H20ClN3O3/c23 -15-2-3-18-16(10-15)17(11 -24-18)13-5-7-26(8-6-13)2 2(28)14-1-4-20-19(9-14)25 -21(27)12-29-20/h1-4,9-11 ,13,24H,5-8,12H2,(H,25,27 ); NRFBMOTXWSHNOV-UHFFFAOYSA-N |
Clc1ccc2[nH]cc(C3CCN(CC3)C(=O)c4ccc5OCC( =O)Nc5c4)c2c1; c1cc2c(cc1C(=O)N3CCC(CC3) c4c[nH]c5c4cc(cc5)Cl)NC(=O)CO2 |
6-[4-(5-chloranyl-1~{H}-indol-3-yl)piperidin-1-yl]carbonyl-4~{H}-1,4-benzoxazin-3-one |
| 16379 | A1IA2 | 1 | C21 H26 F3 N3 O3 | InChI=1S/C21H26F3N3O3/c22 -21(23,24)16-3-1-14(2-4-1 6)11-15-5-8-26(9-6-15)20( 29)27-10-7-18-17(12-27)25 -19(28)13-30-18/h1-4,15,1 7-18H,5-13H2,(H,25,28)/t1 7-,18-/m1/s1; YUPLWIRVNVZRHU-QZTJIDSGSA-N |
c1cc(ccc1CC2CCN(CC2)C(=O)N3CCC4C(C3)NC(= O)CO4)C(F)(F)F; c1cc(ccc1CC2CCN(CC2)C(=O )N3CC[C@@H]4[C@@H](C3)NC(=O)CO4)C(F)(F)F ; FC(F)(F)c1ccc(CC2CCN(CC2)C(=O)N3CC[CH] 4OCC(=O)N[CH]4C3)cc1; FC(F)(F)c1ccc(CC2C CN(CC2)C(=O)N3CC[C@H]4OCC(=O)N[C@@H]4C3) cc1 |
(4~{a}~{R},8~{a}~{R})-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]carbonyl-4,4~{a},5,7,8,8~{a}-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
| 16380 | A1IA3 | 1 | C21 H26 F3 N3 O3 | InChI=1S/C21H26F3N3O3/c22 -21(23,24)16-3-1-14(2-4-1 6)11-15-5-8-26(9-6-15)20( 29)27-10-7-18-17(12-27)25 -19(28)13-30-18/h1-4,15,1 7-18H,5-13H2,(H,25,28)/t1 7-,18+/m1/s1; YUPLWIRVNVZRHU-MSOLQXFVSA-N |
c1cc(ccc1CC2CCN(CC2)C(=O)N3CCC4C(C3)NC(= O)CO4)C(F)(F)F; c1cc(ccc1CC2CCN(CC2)C(=O )N3CC[C@H]4[C@@H](C3)NC(=O)CO4)C(F)(F)F; FC(F)(F)c1ccc(CC2CCN(CC2)C(=O)N3CC[C@@H ]4OCC(=O)N[C@@H]4C3)cc1; FC(F)(F)c1ccc(C C2CCN(CC2)C(=O)N3CC[CH]4OCC(=O)N[CH]4C3) cc1 |
(4~{a}~{R},8~{a}~{S})-6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]carbonyl-4,4~{a},5,7,8,8~{a}-hexahydropyrido[4,3-b][1,4]oxazin-3-one |
| 16381 | A1IA4 CHEMBL5594260 |
2 | C16 H17 N3 O4 | InChI=1S/C16H17N3O4/c20-1 4-10-19(9-13(15(14)21)16( 22)23)12-3-1-11(2-4-12)18 -7-5-17-6-8-18/h1-4,9-10, 17,20H,5-8H2,(H,22,23); QDMRKYATDZSKFZ-UHFFFAOYSA-N |
OC(=O)C1=CN(C=C(O)C1=O)c2ccc(cc2)N3CCNCC 3; c1cc(ccc1N2CCNCC2)N3C=C(C(=O)C(=C3)O) C(=O)O |
5-oxidanyl-4-oxidanylidene-1-(4-piperazin-1-ylphenyl)pyridine-3-carboxylic acid |
| 16382 | A1IA5 CHEMBL188448 |
6 | C11 H7 Cl N2 O4 | InChI=1S/C11H7ClN2O4/c12- 6-3-1-5(2-4-6)9-13-7(11(1 7)18)8(15)10(16)14-9/h1-4 ,15H,(H,17,18)(H,13,14,16 ); XNDKQQKHTBDWNQ-UHFFFAOYSA-N |
c1cc(ccc1C2=NC(=C(C(=O)N2)O)C(=O)O)Cl; O C(=O)C1=C(O)C(=O)NC(=N1)c2ccc(Cl)cc2 |
2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid |
| 16383 | A1IA6 CHEMBL5595627 |
6 | C15 H10 N2 O4 | InChI=1S/C15H10N2O4/c18-1 2-11(15(20)21)16-13(17-14 (12)19)10-6-5-8-3-1-2-4-9 (8)7-10/h1-7,18H,(H,20,21 )(H,16,17,19); HQQIELXMZFSTOA-UHFFFAOYSA-N |
OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2; c1ccc2cc(ccc2c1)C3=NC(=C(C(=O)N3)O)C(=O )O |
2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid |
| 16384 | A1IA7 CHEMBL5188107 |
2 | C17 H12 N2 O4 | InChI=1S/C17H12N2O4/c20-1 4-13(17(22)23)18-15(19-16 (14)21)12-8-6-11(7-9-12)1 0-4-2-1-3-5-10/h1-9,20H,( H,22,23)(H,18,19,21); WBTZMLOTPWUTHO-UHFFFAOYSA-N |
OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccc cc3; c1ccc(cc1)c2ccc(cc2)C3=NC(=C(C(=O)N 3)O)C(=O)O |
5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid |
| 16385 | A1IA8 CHEMBL5595231 |
2 | C19 H13 N3 O4 | InChI=1S/C19H13N3O4/c20-1 0-9-11-5-7-12(8-6-11)13-3 -1-2-4-14(13)17-21-15(19( 25)26)16(23)18(24)22-17/h 1-8,23H,9H2,(H,25,26)(H,2 1,22,24); DQXZBDKWVUQVCP-UHFFFAOYSA-N |
c1ccc(c(c1)c2ccc(cc2)CC#N)C3=NC(=C(C(=O) N3)O)C(=O)O; OC(=O)C1=C(O)C(=O)NC(=N1)c2 ccccc2c3ccc(CC#N)cc3 |
2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid |
| 16386 | A1IAA | 1 | C18 H29 N3 O2 | InChI=1S/C18H29N3O2/c1-5- 7-15-16(13(4)22)12(3)20-1 7(15)18(23)21-9-6-8-14(10 -21)11(2)19/h11,14,20H,5- 10,19H2,1-4H3/t11-,14-/m1 /s1; OWYUHPPXERUPEI-BXUZGUMPSA-N |
CCCc1c(c([nH]c1C(=O)N2CCC[C@H](C2)[C@@H] (C)N)C)C(=O)C; CCCc1c([nH]c(C)c1C(C)=O)C (=O)N2CCC[C@H](C2)[C@@H](C)N; CCCc1c(c([ nH]c1C(=O)N2CCCC(C2)C(C)N)C)C(=O)C; CCCc 1c([nH]c(C)c1C(C)=O)C(=O)N2CCC[CH](C2)[C H](C)N |
1-[5-[(3~{R})-3-[(1~{R})-1-azanylethyl]piperidin-1-yl]carbonyl-2-methyl-4-propyl-1~{H}-pyrrol-3-yl]ethanone |
| 16387 | A1IAB | 1 | C22 H31 N5 O2 | InChI=1S/C22H31N5O2/c1-14 -19(16(3)28)15(2)24-20(14 )22(29)27-10-6-7-17(13-27 )21-18(11-23-25-21)12-26- 8-4-5-9-26/h11,17,24H,4-1 0,12-13H2,1-3H3,(H,23,25) /t17-/m1/s1; RNPPZNAWWLYWGC-QGZVFWFLSA-N |
Cc1c(c([nH]c1C(=O)N2CCC[C@H](C2)c3c(c[nH ]n3)CN4CCCC4)C)C(=O)C; CC(=O)c1c(C)[nH]c (c1C)C(=O)N2CCC[CH](C2)c3n[nH]cc3CN4CCCC 4; CC(=O)c1c(C)[nH]c(c1C)C(=O)N2CCC[C@H] (C2)c3n[nH]cc3CN4CCCC4; Cc1c(c([nH]c1C(= O)N2CCCC(C2)c3c(c[nH]n3)CN4CCCC4)C)C(=O) C |
1-[2,4-dimethyl-5-[(3~{R})-3-[4-(pyrrolidin-1-ylmethyl)-1~{H}-pyrazol-3-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrol-3-yl]ethanone |
| 16388 | A1IAC | 1 | C14 H21 N3 O2 | InChI=1S/C14H21N3O2/c1-4- 11-12(10(3)18)9(2)16-13(1 1)14(19)17-7-5-15-6-8-17/ h15-16H,4-8H2,1-3H3; PENOPOJANWOHQW-UHFFFAOYSA-N |
CCc1c([nH]c(C)c1C(C)=O)C(=O)N2CCNCC2; CC c1c(c([nH]c1C(=O)N2CCNCC2)C)C(=O)C |
1-(4-ethyl-2-methyl-5-piperazin-1-ylcarbonyl-1~{H}-pyrrol-3-yl)ethanone |
| 16389 | A1IAD | 3 | C25 H23 N O3 S | InChI=1S/C25H23NO3S/c1-15 (2)14-26-21-6-4-3-5-19(21 )24(29)23-20-12-11-18(28) 13-22(20)30-25(23)16-7-9- 17(27)10-8-16/h3-13,15,26 -28H,14H2,1-2H3; LHXIHNYBKAUCPW-UHFFFAOYSA-N |
CC(C)CNc1ccccc1C(=O)c2c3ccc(cc3sc2c4ccc( cc4)O)O; CC(C)CNc1ccccc1C(=O)c2c(sc3cc(O )ccc23)c4ccc(O)cc4 |
[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-methylpropylamino)phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl][2-(isobutylamino)phenyl]methanone |
| 16390 | A1IAE | 8 | C21 H13 Cl O3 S | InChI=1S/C21H13ClO3S/c22- 14-5-1-12(2-6-14)20(25)19 -17-10-9-16(24)11-18(17)2 6-21(19)13-3-7-15(23)8-4- 13/h1-11,23-24H; MAHGILUQSRQUDZ-UHFFFAOYSA-N |
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(Cl )cc4; c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4 ccc(cc4)Cl)O |
(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone; (4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone |
| 16391 | A1IAF | 8 | C27 H26 N2 O4 S | InChI=1S/C27H26N2O4S/c30- 19-7-5-18(6-8-19)27-25(22 -10-9-20(31)17-24(22)34-2 7)26(32)21-3-1-2-4-23(21) 28-11-12-29-13-15-33-16-1 4-29/h1-10,17,28,30-31H,1 1-16H2; RXOCKHFCIVFNLT-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4) O)O)NCCN5CCOCC5; Oc1ccc(cc1)c2sc3cc(O)cc c3c2C(=O)c4ccccc4NCCN5CCOCC5 |
[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]{2-[(2-morpholinoethyl)amino]phenyl}methanone |
| 16392 | A1IAG | 8 | C21 H13 Br O3 S | InChI=1S/C21H13BrO3S/c22- 14-3-1-2-13(10-14)20(25)1 9-17-9-8-16(24)11-18(17)2 6-21(19)12-4-6-15(23)7-5- 12/h1-11,23-24H; FZTODPPHGNNGPG-UHFFFAOYSA-N |
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4cccc(B r)c4; c1cc(cc(c1)Br)C(=O)c2c3ccc(cc3sc2c 4ccc(cc4)O)O |
(3-bromophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone; (3-Bromophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone |
| 16393 | A1IAH | 2 | C24 H20 O3 S | InChI=1S/C24H20O3S/c1-14( 2)16-4-3-5-17(12-16)23(27 )22-20-11-10-19(26)13-21( 20)28-24(22)15-6-8-18(25) 9-7-15/h3-14,25-26H,1-2H3; MHSKHVGZTKCKMM-UHFFFAOYSA-N |
CC(C)c1cccc(c1)C(=O)c2c3ccc(cc3sc2c4ccc( cc4)O)O; CC(C)c1cccc(c1)C(=O)c2c(sc3cc(O )ccc23)c4ccc(O)cc4 |
[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-(3-propan-2-ylphenyl)methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](3-isopropylphenyl)methanone |
| 16394 | A1IAI CHEMBL3754181 |
4 | C21 H14 O4 S | InChI=1S/C21H14O4S/c22-14 -5-1-12(2-6-14)20(25)19-1 7-10-9-16(24)11-18(17)26- 21(19)13-3-7-15(23)8-4-13 /h1-11,22-24H; CTMKIRXPVZYQJP-UHFFFAOYSA-N |
Oc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4ccc( O)cc4; c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c 4ccc(cc4)O)O |
(4-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3- yl](4-hydroxyphenyl)methanone |
| 16395 | A1IAJ | 4 | C21 H14 O4 S | InChI=1S/C21H14O4S/c22-13 -7-5-12(6-8-13)21-19(16-1 0-9-14(23)11-18(16)26-21) 20(25)15-3-1-2-4-17(15)24 /h1-11,22-24H; OQGOSHZJAKDQGK-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4) O)O)O; Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c 4ccccc4O |
(2-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](2-hydroxyphenyl)methanone |
| 16396 | A1IAK | 8 | C24 H21 N O3 S | InChI=1S/C24H21NO3S/c1-2- 13-25-17-7-3-15(4-8-17)23 (28)22-20-12-11-19(27)14- 21(20)29-24(22)16-5-9-18( 26)10-6-16/h3-12,14,25-27 H,2,13H2,1H3; GIGLPXYZZURWTH-UHFFFAOYSA-N |
CCCNc1ccc(cc1)C(=O)c2c(sc3cc(O)ccc23)c4c cc(O)cc4; CCCNc1ccc(cc1)C(=O)c2c3ccc(cc3 sc2c4ccc(cc4)O)O |
[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[4-(propylamino)phenyl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl][4-(propylamino)phenyl]methanone |
| 16397 | A1IAL | 2 | C21 H14 O4 S | InChI=1S/C21H14O4S/c22-14 -6-4-12(5-7-14)21-19(17-9 -8-16(24)11-18(17)26-21)2 0(25)13-2-1-3-15(23)10-13 /h1-11,22-24H; DWFBIALOCDMBGC-UHFFFAOYSA-N |
c1cc(cc(c1)O)C(=O)c2c3ccc(cc3sc2c4ccc(cc 4)O)O; Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c 4cccc(O)c4 |
(3-hydroxyphenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone; [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl](3-hydroxyphenyl)methanone |
| 16398 | A1IAM | 4 | C21 H13 Cl O2 S | InChI=1S/C21H13ClO2S/c22- 15-8-6-13(7-9-15)20(24)19 -17-11-10-16(23)12-18(17) 25-21(19)14-4-2-1-3-5-14/ h1-12,23H; HKHKKZZFJJXUGK-UHFFFAOYSA-N |
Oc1ccc2c(sc(c3ccccc3)c2C(=O)c4ccc(Cl)cc4 )c1; c1ccc(cc1)c2c(c3ccc(cc3s2)O)C(=O)c4 ccc(cc4)Cl |
(4-chlorophenyl)-(6-oxidanyl-2-phenyl-1-benzothiophen-3-yl)methanone; (4-Chlorophenyl)[6-hydroxy-2-phenylbenzo[b]thiophen-3-yl]methanone |
| 16399 | A1IAN | 8 | C21 H13 Cl O2 S | InChI=1S/C21H13ClO2S/c22- 15-9-5-13(6-10-15)20(24)1 9-17-3-1-2-4-18(17)25-21( 19)14-7-11-16(23)12-8-14/ h1-12,23H; HTZYRZQECOXVQX-UHFFFAOYSA-N |
c1ccc2c(c1)c(c(s2)c3ccc(cc3)O)C(=O)c4ccc (cc4)Cl; Oc1ccc(cc1)c2sc3ccccc3c2C(=O)c4 ccc(Cl)cc4 |
(4-chlorophenyl)-[2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone; (4-Chlorophenyl)[2-(4-hydroxyphenyl)benzo[b]thiophen3-yl]methanone |
| 16400 | A1IAO | 1 | C18 H19 N | InChI=1S/C18H19N/c1-19-13 -11-15(12-14-19)9-10-17-7 -4-6-16-5-2-3-8-18(16)17/ h2-8,11-15H,9-10H2,1H3; JDWXMCVXFNBDPZ-UHFFFAOYSA-N |
CN1C=CC(C=C1)CCc2cccc3c2cccc3; CN1C=CC(C Cc2cccc3ccccc23)C=C1 |
1-methyl-4-(2-naphthalen-1-ylethyl)-4H-pyridine |