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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 15001 |  A1CQ1 |
3 | C21 H23 Cl N6 O2 | InChI=1S/C21H23ClN6O2/c1- 14-18-19(22)16(21(30)25-1 3-17(29)27-8-2-3-9-27)12- 24-20(18)28(26-14)10-6-15 -5-4-7-23-11-15/h4-5,7,11 -12H,2-3,6,8-10,13H2,1H3, (H,25,30); WYZBSXHPELEZFB-UHFFFAOYSA-N |
Cc1nn(CCc2cccnc2)c3ncc(C(=O)NCC(=O)N4CCC C4)c(Cl)c13; Cc1c2c(c(cnc2n(n1)CCc3cccnc 3)C(=O)NCC(=O)N4CCCC4)Cl; O=C(CNC(=O)c1c nc2c(c1Cl)c(C)nn2CCc1cccnc1)N1CCCC1 |
4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-3-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15002 |  A1CQ2 |
2 | C21 H20 Cl F3 N6 O | InChI=1S/C21H20ClF3N6O/c1 -2-18(32)30-5-7-31(8-6-30 )20-13-9-15(22)12(10-16(1 3)27-11-28-20)19-14(21(23 ,24)25)3-4-17(26)29-19/h3 -4,9-11H,2,5-8H2,1H3,(H2, 26,29); HYVDIXYPGCIEBX-UHFFFAOYSA-N |
CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4n c(N)ccc4C(F)(F)F; O=C(CC)N1CCN(CC1)c1ncn c2cc(c3nc(N)ccc3C(F)(F)F)c(Cl)cc12; CCC( =O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc(n4 )N)C(F)(F)F)Cl |
1-(4-{(7M)-7-[6-amino-3-(trifluoromethyl)pyridin-2-yl]-6-chloroquinazolin-4-yl}piperazin-1-yl)propan-1-one |
| 15003 |  A1CQP |
3 | C22 H30 Cl N5 O2 | InChI=1S/C22H30ClN5O2/c1- 15-19-20(23)17(22(30)24-1 0-9-18(29)27-11-5-6-12-27 )13-25-21(19)28(26-15)14- 16-7-3-2-4-8-16/h13,16H,2 -12,14H2,1H3,(H,24,30); MOXROVYUYLMHQQ-UHFFFAOYSA-N |
Cc1nn(CC2CCCCC2)c3ncc(C(=O)NCCC(=O)N4CCC C4)c(Cl)c13; O=C(CCNC(=O)c1cnc2c(c1Cl)c( C)nn2CC1CCCCC1)N1CCCC1; Cc1c2c(c(cnc2n(n 1)CC3CCCCC3)C(=O)NCCC(=O)N4CCCC4)Cl |
4-chloro-1-(cyclohexylmethyl)-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15004 |  A1CQQ |
3 | C23 H26 Cl N5 O2 | InChI=1S/C23H26ClN5O2/c1- 16-20-21(24)18(23(31)25-1 1-9-19(30)28-12-5-6-13-28 )15-26-22(20)29(27-16)14- 10-17-7-3-2-4-8-17/h2-4,7 -8,15H,5-6,9-14H2,1H3,(H, 25,31); KLXYQNZNMWAYQO-UHFFFAOYSA-N |
Cc1c2c(c(cnc2n(n1)CCc3ccccc3)C(=O)NCCC(= O)N4CCCC4)Cl; Cc1nn(CCc2ccccc2)c3ncc(C(= O)NCCC(=O)N4CCCC4)c(Cl)c13; O=C(CCNC(=O) c1cnc2c(c1Cl)c(C)nn2CCc1ccccc1)N1CCCC1 |
4-chloro-3-methyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15005 |  A1CQR |
3 | C20 H21 Cl N4 O | InChI=1S/C20H21ClN4O/c21- 16-8-10-22-20-19(16)17(14 -18(26)24-11-4-5-12-24)23 -25(20)13-9-15-6-2-1-3-7- 15/h1-3,6-8,10H,4-5,9,11- 14H2; HYMYLYRXAULJCL-UHFFFAOYSA-N |
c1ccc(cc1)CCn2c3c(c(ccn3)Cl)c(n2)CC(=O)N 4CCCC4; Clc1ccnc2n(CCc3ccccc3)nc(CC(=O)N 4CCCC4)c12; Clc1ccnc2c1c(nn2CCc1ccccc1)C C(=O)N1CCCC1 |
2-[4-chloro-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-(pyrrolidin-1-yl)ethan-1-one |
| 15006 |  A1CQS |
3 | C22 H21 N5 O | InChI=1S/C22H21N5O/c1-16- 20-12-19(22(28)25-14-18-8 -5-10-23-13-18)15-24-21(2 0)27(26-16)11-9-17-6-3-2- 4-7-17/h2-8,10,12-13,15H, 9,11,14H2,1H3,(H,25,28); XLVHZGUUORIPAP-UHFFFAOYSA-N |
Cc1c2cc(cnc2n(n1)CCc3ccccc3)C(=O)NCc4ccc nc4; Cc1nn(CCc2ccccc2)c3ncc(cc13)C(=O)NC c4cccnc4; O=C(NCc1cccnc1)c1cc2c(nc1)n(nc 2C)CCc1ccccc1 |
3-methyl-1-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15007 |  A1CQT |
3 | C27 H35 Cl N6 O2 | InChI=1S/C27H35ClN6O2/c1- 20-24-25(28)22(19-30-26(2 4)32(2)31-20)27(36)29-13- 18-33(14-8-11-21-9-4-3-5- 10-21)17-12-23(35)34-15-6 -7-16-34/h3-5,9-10,19H,6- 8,11-18H2,1-2H3,(H,29,36); NWHPUFLAUFXDCP-UHFFFAOYSA-N |
Cc1c2c(c(cnc2n(n1)C)C(=O)NCCN(CCCc3ccccc 3)CCC(=O)N4CCCC4)Cl; Cn1nc(C)c2c(Cl)c(cn c12)C(=O)NCCN(CCCc3ccccc3)CCC(=O)N4CCCC4 ; O=C(CCN(CCCc1ccccc1)CCNC(=O)c1cnc2c(c1 Cl)c(C)nn2C)N1CCCC1 |
4-chloro-1,3-dimethyl-N-(2-{[3-oxo-3-(pyrrolidin-1-yl)propyl](3-phenylpropyl)amino}ethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15008 |  A1CQU |
3 | C16 H20 Cl N5 O2 | InChI=1S/C16H20ClN5O2/c1- 10-13-14(17)11(9-19-15(13 )21(2)20-10)16(24)18-6-5- 12(23)22-7-3-4-8-22/h9H,3 -8H2,1-2H3,(H,18,24); ZZTUZSXNOWFVDG-UHFFFAOYSA-N |
Cc1c2c(c(cnc2n(n1)C)C(=O)NCCC(=O)N3CCCC3 )Cl; Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCCC(=O )N3CCCC3; O=C(CCNC(=O)c1cnc2c(c1Cl)c(C)n n2C)N1CCCC1 |
4-chloro-1,3-dimethyl-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15009 |  A1CQV |
3 | C15 H14 Cl N5 O | InChI=1S/C15H14ClN5O/c1-9 -12-13(16)11(8-18-14(12)2 1(2)20-9)15(22)19-7-10-4- 3-5-17-6-10/h3-6,8H,7H2,1 -2H3,(H,19,22); KVCCRSZXQPYJDM-UHFFFAOYSA-N |
Cc1c2c(c(cnc2n(n1)C)C(=O)NCc3cccnc3)Cl; Cn1nc(C)c2c(Cl)c(cnc12)C(=O)NCc3cccnc3; Clc1c(cnc2c1c(C)nn2C)C(=O)NCc1cccnc1 |
1,3-dimethyl-N-[(pyridin-3-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15010 |  A1CQW |
2 | C18 H19 N3 O4 | InChI=1S/C18H19N3O4/c1-3- 15(22)11-19-17(23)8-7-13- 5-4-6-14(10-13)20-18(24)1 6-9-12(2)25-21-16/h4-6,9- 10,15,22H,3,11H2,1-2H3,(H ,19,23)(H,20,24)/t15-/m0/ s1; DGIPRXQUEIVMND-HNNXBMFYSA-N |
CC[C@H](O)CNC(=O)C#Cc1cccc(NC(=O)c2cc(C) on2)c1; CCC(CNC(=O)C#Cc1cccc(c1)NC(=O)c2 cc(on2)C)O; CC[C@@H](CNC(=O)C#Cc1cccc(c1 )NC(=O)c2cc(on2)C)O; CC[CH](O)CNC(=O)C#C c1cccc(NC(=O)c2cc(C)on2)c1; Cc1cc(no1)C( =O)Nc1cc(C#CC(=O)NCC(O)CC)ccc1 |
N-[3-(3-{[(2S)-2-hydroxybutyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 15011 |  A1CQY |
3 | C21 H23 Cl N6 O2 | InChI=1S/C21H23ClN6O2/c1- 14-18-19(22)16(21(30)25-1 3-17(29)27-9-2-3-10-27)12 -24-20(18)28(26-14)11-6-1 5-4-7-23-8-5-15/h4-5,7-8, 12H,2-3,6,9-11,13H2,1H3,( H,25,30); VXVKDLUYOFSMPQ-UHFFFAOYSA-N |
Cc1c2c(c(cnc2n(n1)CCc3ccncc3)C(=O)NCC(=O )N4CCCC4)Cl; Cc1nn(CCc2ccncc2)c3ncc(C(=O )NCC(=O)N4CCCC4)c(Cl)c13; O=C(CNC(=O)c1c nc2c(c1Cl)c(C)nn2CCc1ccncc1)N1CCCC1 |
3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-[2-(pyridin-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15012 |  A1CQZ |
3 | C22 H24 Cl N5 O2 | InChI=1S/C22H24ClN5O2/c1- 15-19-20(23)17(22(30)25-1 4-18(29)27-10-5-6-11-27)1 3-24-21(19)28(26-15)12-9- 16-7-3-2-4-8-16/h2-4,7-8, 13H,5-6,9-12,14H2,1H3,(H, 25,30); JYRCKPLREKYKRY-UHFFFAOYSA-N |
Cc1nn(CCc2ccccc2)c3ncc(C(=O)NCC(=O)N4CCC C4)c(Cl)c13; O=C(CNC(=O)c1cnc2c(c1Cl)c(C )nn2CCc1ccccc1)N1CCCC1; Cc1c2c(c(cnc2n(n 1)CCc3ccccc3)C(=O)NCC(=O)N4CCCC4)Cl |
4-chloro-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15013 |  A1CR0 |
9 | C18 H15 N O2 | InChI=1S/C18H15NO2/c20-15 -8-4-13(5-9-15)18(17-3-1- 2-12-19-17)14-6-10-16(21) 11-7-14/h1-12,18,20-21H; LJROKJGQSPMTKB-UHFFFAOYSA-N |
c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O; Oc1 ccc(cc1)C(c1ccc(O)cc1)c1ccccn1; Oc1ccc(c c1)C(c2ccc(O)cc2)c3ccccn3 |
4,4'-[(pyridin-2-yl)methylene]diphenol |
| 15014 |  A1CR1 |
1 | C24 H18 F2 N4 O | InChI=1S/C24H18F2N4O/c1-3 -13-18(25)5-4-11-6-12(31) 7-14(19(11)13)23-21(26)24 -17(10-28-23)22(29-30(24) 2)20-15-8-27-9-16(15)20/h 1,4-7,10,15-16,20,27,31H, 8-9H2,2H3/t15-,16+,20+; PEWKAELNLLCUBJ-IGOJGBNBSA-N |
Cn1nc(C2[CH]3CNC[CH]23)c4cnc(c(F)c14)c5c c(O)cc6ccc(F)c(C#C)c56; C#Cc1c2c(ccc1F)c c(O)cc2c1ncc2c(c1F)n(C)nc2C1C2CNCC21; Cn 1nc(C2[C@H]3CNC[C@@H]23)c4cnc(c(F)c14)c5 cc(O)cc6ccc(F)c(C#C)c56; Cn1c2c(cnc(c2F) c3cc(cc4c3c(c(cc4)F)C#C)O)c(n1)C5[C@H]6[ C@@H]5CNC6; Cn1c2c(cnc(c2F)c3cc(cc4c3c(c (cc4)F)C#C)O)c(n1)C5C6C5CNC6 |
(4P)-4-{3-[(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]-7-fluoro-1-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}-5-ethynyl-6-fluoronaphthalen-2-ol |
| 15015 |  A1CR2 |
1 | C25 H21 F2 N5 O | InChI=1S/C25H21F2N5O/c1-3 -17-20(26)7-4-13-8-16(33) 9-18(21(13)17)23-22(27)24 -19(11-29-23)25(30-31(24) 2)32-12-14-5-6-15(32)10-2 8-14/h1,4,7-9,11,14-15,28 ,33H,5-6,10,12H2,2H3/t14- ,15-/m0/s1; UYSCCLKJAPAKEQ-GJZGRUSLSA-N |
Cn1c2c(cnc(c2F)c3cc(cc4c3c(c(cc4)F)C#C)O )c(n1)N5CC6CCC5CN6; Cn1nc(N2C[C@@H]3CC[C @H]2CN3)c4cnc(c(F)c14)c5cc(O)cc6ccc(F)c( C#C)c56; Cn1nc(N2C[CH]3CC[CH]2CN3)c4cnc( c(F)c14)c5cc(O)cc6ccc(F)c(C#C)c56; Cn1c2 c(cnc(c2F)c3cc(cc4c3c(c(cc4)F)C#C)O)c(n1 )N5C[C@@H]6CC[C@H]5CN6; C#Cc1c2c(ccc1F)c c(O)cc2c1ncc2c(c1F)n(C)nc2N1CC2CCC1CN2 |
(4P)-4-{3-[(1S,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-7-fluoro-1-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}-5-ethynyl-6-fluoronaphthalen-2-ol |
| 15016 |  A1CR3 |
1 | C21 H35 N3 O5 S | InChI=1S/C21H35N3O5S/c1-2 0(2,3)16(23-19(28)29-6)18 (27)24-10-13-14(21(13,4)5 )15(24)17(26)22-12(11-25) 8-9-30-7/h11-16H,8-10H2,1 -7H3,(H,22,26)(H,23,28)/t 12-,13-,14-,15-,16+/m0/s1; YSVXBQXAHYVXCQ-UVPYHEFZSA-N |
COC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H] 1C(=O)N[C@@H](CCSC)C=O)C2(C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C (C)(C)C)NC(=O)OC)C(=O)N[C@@H](CCSC)C=O)C ; CC1(C)C2C(C(=O)NC(C=O)CCSC)N(CC21)C(=O )C(NC(=O)OC)C(C)(C)C; CC1(C2C1C(N(C2)C(= O)C(C(C)(C)C)NC(=O)OC)C(=O)NC(CCSC)C=O)C ; COC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C( =O)N[CH](CCSC)C=O)C2(C)C)C(C)(C)C |
methyl {(2S)-1-[(1R,2S,5S)-6,6-dimethyl-2-{[(2S)-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate |
| 15017 |  A1CR4 |
1 | C25 H42 N4 O6 S | InChI=1S/C25H42N4O6S/c1-2 4(2,3)19(28-23(34)35-6)22 (33)29-12-14-16(25(14,4)5 )17(29)20(31)27-15(10-11- 36-7)18(30)21(32)26-13-8- 9-13/h13-19,30H,8-12H2,1- 7H3,(H,26,32)(H,27,31)(H, 28,34)/t14-,15-,16-,17-,1 8+,19+/m0/s1; GDHQOIULQGASKN-XREYTECCSA-N |
COC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O )N[CH](CCSC)[CH](O)C(=O)NC3CC3)C2(C)C)C( C)(C)C; CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O )[C@H](C(C)(C)C)NC(=O)OC)C(=O)N[C@@H](CC SC)[C@H](C(=O)NC3CC3)O)C; COC(=O)N[C@H]( C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H]( CCSC)[C@@H](O)C(=O)NC3CC3)C2(C)C)C(C)(C) C; CC1(C)C2C(C(=O)NC(CCSC)C(O)C(=O)NC3CC 3)N(CC21)C(=O)C(NC(=O)OC)C(C)(C)C; CC1(C 2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)OC)C(=O) NC(CCSC)C(C(=O)NC3CC3)O)C |
methyl {(2S)-1-[(1R,2S,5S)-2-{[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-5-(methylsulfanyl)-1-oxopentan-3-yl]carbamoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name) |
| 15018 |  A1CR5 |
1 | C20 H30 F3 N3 O4 S | InChI=1S/C20H30F3N3O4S/c1 -10(2)14(25-18(30)20(21,2 2)23)17(29)26-8-12-13(19( 12,3)4)15(26)16(28)24-11( 9-27)6-7-31-5/h9-15H,6-8H 2,1-5H3,(H,24,28)(H,25,30 )/t11-,12-,13-,14-,15-/m0 /s1; CNPWOLWEZXZOST-YTFOTSKYSA-N |
CC1(C)C2C(C(=O)NC(C=O)CCSC)N(CC21)C(=O)C (NC(=O)C(F)(F)F)C(C)C; CC(C)[C@@H](C(=O) N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CCSC) C=O)C2(C)C)NC(=O)C(F)(F)F; CSCC[CH](NC(= O)[CH]1[CH]2[CH](CN1C(=O)[CH](NC(=O)C(F) (F)F)C(C)C)C2(C)C)C=O; CC(C)C(C(=O)N1CC2 C(C1C(=O)NC(CCSC)C=O)C2(C)C)NC(=O)C(F)(F )F; CSCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H]( CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)C2(C )C)C=O |
(1R,2S,5S)-6,6-dimethyl-N-[(2S)-4-(methylsulfanyl)-1-oxobutan-2-yl]-3-[N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 15019 |  A1CR9 |
2 | C24 H17 Cl2 F2 N5 O2 | InChI=1S/C24H17Cl2F2N5O2/ c25-14-2-3-15(19(28)6-14) 22-16(10-32-23(22)13-8-30 -11-31-9-13)24(35)33-20(7 -21(29)34)12-1-4-18(27)17 (26)5-12/h1-6,8-11,20,32H ,7H2,(H2,29,34)(H,33,35)/ t20-/m0/s1; FSZLXSAHCMJIRL-FQEVSTJZSA-N |
c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c 2c3ccc(cc3F)Cl)c4cncnc4)Cl)F; c1cc(c(cc1 C(CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl )c4cncnc4)Cl)F; NC(=O)C[CH](NC(=O)c1c[nH ]c(c2cncnc2)c1c3ccc(Cl)cc3F)c4ccc(F)c(Cl )c4; O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[ NH]c(c1c1ccc(Cl)cc1F)c1cncnc1; NC(=O)C[C @H](NC(=O)c1c[nH]c(c2cncnc2)c1c3ccc(Cl)c c3F)c4ccc(F)c(Cl)c4 |
(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(pyrimidin-5-yl)-1H-pyrrole-3-carboxamide |
| 15020 |  A1CRA |
1 | C8 H10 I N O | InChI=1S/C8H10INO/c9-7-5- 6(3-4-10)1-2-8(7)11/h1-2, 5,11H,3-4,10H2; XJAUFQWJQUNMMW-UHFFFAOYSA-N |
c1cc(c(cc1CCN)I)O; NCCc1ccc(O)c(I)c1; Ic 1cc(CCN)ccc1O |
4-(2-aminoethyl)-2-iodophenol |
| 15021 |  A1CRB |
1 | C6 H5 F3 N2 O | InChI=1S/C6H5F3N2O/c1-11- 3-2-10-5(11)4(12)6(7,8)9/ h2-3H,1H3; HZBPTKJLNVNRBB-UHFFFAOYSA-N |
Cn1ccnc1C(=O)C(F)(F)F; O=C(c1nccn1C)C(F) (F)F |
2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one |
| 15022 |  A1CRK CHEMBL1086968 |
6 | C22 H28 N2 O2 S | InChI=1S/C22H28N2O2S/c25- 21(18-13-17(18)15-6-2-1-3 -7-15)24-19-9-5-4-8-16(19 )12-20(24)22(26)23-10-11- 27-14-23/h1-3,6-7,16-20H, 4-5,8-14H2/t16-,17-,18+,1 9-,20-/m0/s1; NXSXRIHXEQSYEZ-KNJMJIDISA-N |
O=C(C1CC2CCCCC2N1C(=O)C1CC1c1ccccc1)N1CC SC1; O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(= O)[C@@H]3C[C@H]3c4ccccc4)N5CCSC5; c1ccc( cc1)[C@@H]2C[C@H]2C(=O)N3[C@H]4CCCC[C@H] 4C[C@H]3C(=O)N5CCSC5; c1ccc(cc1)C2CC2C(= O)N3C4CCCCC4CC3C(=O)N5CCSC5; O=C([CH]1C[ CH]2CCCC[CH]2N1C(=O)[CH]3C[CH]3c4ccccc4) N5CCSC5 |
{(2S,3aS,7aS)-1-[(1R,2R)-2-phenylcyclopropane-1-carbonyl]octahydro-1H-indol-2-yl}(1,3-thiazolidin-3-yl)methanone |
| 15023 |  A1CRL |
3 | C22 H30 Cl N5 O2 | InChI=1S/C22H30ClN5O2/c1- 15-19-20(23)17(22(30)25-1 4-18(29)27-10-5-6-11-27)1 3-24-21(19)28(26-15)12-9- 16-7-3-2-4-8-16/h13,16H,2 -12,14H2,1H3,(H,25,30); YPXUGGHHTLGOHV-UHFFFAOYSA-N |
O=C(CNC(=O)c1cnc2c(c1Cl)c(C)nn2CCC1CCCCC 1)N1CCCC1; Cc1c2c(c(cnc2n(n1)CCC3CCCCC3) C(=O)NCC(=O)N4CCCC4)Cl; Cc1nn(CCC2CCCCC2 )c3ncc(C(=O)NCC(=O)N4CCCC4)c(Cl)c13 |
4-chloro-1-(2-cyclohexylethyl)-3-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
| 15024 |  A1CRO |
2 | C39 H54 F3 N5 O8 | InChI=1S/C39H54F3N5O8/c1- 6-9-10-11-34(50)43-31(21- 35(51)47(7-2)8-3)36(52)44 -30(18-25-12-15-27(40)16- 13-25)37(53)45-33(19-26-1 4-17-28(41)20-29(26)42)39 (54)38(5,23-49)46-32(22-4 8)24(4)55-39/h12-17,20,22 ,24,30-33,46,49,54H,6-11, 18-19,21,23H2,1-5H3,(H,43 ,50)(H,44,52)(H,45,53)/t2 4-,30-,31+,32+,33-,38-,39 -/m0/s1; ASPQIFKELBCQPZ-KCYJHOJCSA-N |
CCCCCC(=O)N[CH](CC(=O)N(CC)CC)C(=O)N[CH] (Cc1ccc(F)cc1)C(=O)N[CH](Cc2ccc(F)cc2F)[ C]3(O)O[CH](C)[CH](N[C]3(C)CO)C=O; CCCCC C(=O)N[C@H](CC(=O)N(CC)CC)C(=O)N[C@@H](C c1ccc(F)cc1)C(=O)N[C@@H](Cc2ccc(F)cc2F)[ C@]3(O)O[C@@H](C)[C@H](N[C@@]3(C)CO)C=O; CCCCCC(=O)N[C@H](CC(=O)N(CC)CC)C(=O)N[C @@H](Cc1ccc(cc1)F)C(=O)N[C@@H](Cc2ccc(cc 2F)F)[C@]3([C@](N[C@@H]([C@@H](O3)C)C=O) (C)CO)O; OC1(OC(C)C(NC1(C)CO)C=O)C(NC(=O )C(Cc1ccc(F)cc1)NC(=O)C(CC(=O)N(CC)CC)NC (=O)CCCCC)Cc1ccc(F)cc1F; CCCCCC(=O)NC(CC (=O)N(CC)CC)C(=O)NC(Cc1ccc(cc1)F)C(=O)NC (Cc2ccc(cc2F)F)C3(C(NC(C(O3)C)C=O)(C)CO) O |
N,N-diethyl-N~2~-hexanoyl-D-asparaginyl-N-{(1S)-2-(2,4-difluorophenyl)-1-[(2S,3S,5S,6S)-5-formyl-2-hydroxy-3-(hydroxymethyl)-3,6-dimethylmorpholin-2-yl]ethyl}-4-fluoro-L-phenylalaninamide |
| 15025 |  A1CRR |
1 | C30 H34 Cl F N6 O2 | InChI=1S/C30H34ClFN6O2/c3 1-23-12-20(39)11-21(24(23 )17-3-4-17)26-25(32)27-22 (13-33-26)28(37-14-18-5-6 -19(15-37)34-18)36-29(35- 27)40-16-30-7-1-9-38(30)1 0-2-8-30/h11-13,17-19,34, 39H,1-10,14-16H2/t18-,19+; YNLFMMMEJQUMCY-KDURUIRLSA-N |
c1c(cc(c(c1c2c(c3c(cn2)c(nc(n3)OCC45CCCN 4CCC5)N6C[C@H]7CC[C@@H](C6)N7)F)C8CC8)Cl )O; c1c(cc(c(c1c2c(c3c(cn2)c(nc(n3)OCC45 CCCN4CCC5)N6CC7CCC(C6)N7)F)C8CC8)Cl)O; O c1cc(Cl)c(C2CC2)c(c1)c3ncc4c(nc(OCC56CCC N5CCC6)nc4c3F)N7C[CH]8CC[CH](C7)N8; Oc1c c(Cl)c(C2CC2)c(c1)c3ncc4c(nc(OCC56CCCN5C CC6)nc4c3F)N7C[C@H]8CC[C@@H](C7)N8; Oc1c c(c(C2CC2)c(Cl)c1)c1ncc2c(nc(nc2N2CC3CCC (N3)C2)OCC23CCCN3CCC2)c1F |
(5P)-3-chloro-4-cyclopropyl-5-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)phenol |
| 15026 |  A1CRT |
0 | C7 H13 N O5 S | InChI=1S/C7H13NO5S/c9-5(1 -2-6(10)11)8-4(3-14)7(12) 13/h4-5,8-9,14H,1-3H2,(H, 10,11)(H,12,13)/t4-,5-/m0 /s1; GAKVQEZYVVQDTG-WHFBIAKZSA-N |
C(CC(=O)O)C(NC(CS)C(=O)O)O; C(CC(=O)O)[C @@H](N[C@@H](CS)C(=O)O)O; O[C@@H](CCC(O) =O)N[C@@H](CS)C(O)=O; OC(=O)C(NC(O)CCC(= O)O)CS; O[CH](CCC(O)=O)N[CH](CS)C(O)=O |
(4S)-4-{[(1R)-1-carboxy-2-sulfanylethyl]amino}-4-hydroxybutanoic acid |
| 15027 |  A1CRV |
2 | C25 H25 Cl F4 N4 | InChI=1S/C25H25ClF4N4/c1- 10(2)22-19-16(18-14-7-32- 8-15(14)18)9-34(12-3-4-12 )24(19)21(27)23(33-22)13- 5-11(31)6-17(26)20(13)25( 28,29)30/h5-6,9-10,12,14- 15,18,32H,3-4,7-8,31H2,1- 2H3/t14-,15+,18+; CUGJNGMDBQQOIA-HWWDLCQESA-N |
CC(C)c1c2c(cn(c2c(c(n1)c3cc(cc(c3C(F)(F) F)Cl)N)F)C4CC4)C5C6C5CNC6; CC(C)c1nc(c(F )c2n(cc(C3[CH]4CNC[CH]34)c12)C5CC5)c6cc( N)cc(Cl)c6C(F)(F)F; FC(F)(F)c1c(Cl)cc(N) cc1c1nc(c2c(c1F)n(cc2C1C2CNCC21)C1CC1)C( C)C; CC(C)c1c2c(cn(c2c(c(n1)c3cc(cc(c3C( F)(F)F)Cl)N)F)C4CC4)C5[C@H]6[C@@H]5CNC6; CC(C)c1nc(c(F)c2n(cc(C3[C@@H]4CNC[C@H]3 4)c12)C5CC5)c6cc(N)cc(Cl)c6C(F)(F)F |
(3P)-3-{3-[(1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl}-5-chloro-4-(trifluoromethyl)aniline |
| 15028 |  A1CRW |
2 | C28 H28 Cl F4 N5 O | InChI=1S/C28H28ClF4N5O/c1 -11(39)36-10-19-21(20-16- 8-35-9-17(16)20)22-25(12- 2-3-12)37-26(24(30)27(22) 38(19)14-4-5-14)15-6-13(3 4)7-18(29)23(15)28(31,32) 33/h6-7,12,14,16-17,20,35 H,2-5,8-10,34H2,1H3,(H,36 ,39)/t16-,17+,20+; QIKNCPIXZRJKBY-YRWFTTLQSA-N |
CC(=O)NCc1c(c2c(n1C3CC3)c(c(nc2C4CC4)c5c c(cc(c5C(F)(F)F)Cl)N)F)C6[C@H]7[C@@H]6CN C7; CC(=O)NCc1n(C2CC2)c3c(F)c(nc(C4CC4)c 3c1C5[C@H]6CNC[C@@H]56)c7cc(N)cc(Cl)c7C( F)(F)F; FC(F)(F)c1c(Cl)cc(N)cc1c1nc(c2c( c1F)n(c(CNC(C)=O)c2C1C2CNCC21)C1CC1)C1CC 1; CC(=O)NCc1n(C2CC2)c3c(F)c(nc(C4CC4)c3 c1C5[CH]6CNC[CH]56)c7cc(N)cc(Cl)c7C(F)(F )F; CC(=O)NCc1c(c2c(n1C3CC3)c(c(nc2C4CC4 )c5cc(cc(c5C(F)(F)F)Cl)N)F)C6C7C6CNC7 |
N-({(6P)-6-[5-amino-3-chloro-2-(trifluoromethyl)phenyl]-3-[(1R,5S,6s)-3-azabicyclo[3.1.0]hexan-6-yl]-1,4-dicyclopropyl-7-fluoro-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)acetamide |
| 15029 |  A1CRY |
2 | C57 H66 Cl N13 O6 | InChI=1S/C57H66ClN13O6/c1 -4-50(74)70-28-27-69(34-4 1(70)15-19-59)53-42-18-22 -68(47-10-6-8-38-7-5-9-45 (58)51(38)47)35-46(42)61- 57(62-53)77-30-29-65-23-2 5-67(26-24-65)56(76)39-16 -20-66(21-17-39)33-37-11- 13-40(14-12-37)71-54(63-6 4-55(71)52(60)75)44-31-43 (36(2)3)48(72)32-49(44)73 /h5-14,31-32,36,39,41,72- 73H,4,15-18,20-30,33-35H2 ,1-3H3,(H2,60,75)/t41-/m0 /s1; NDQUNBVBLOTAMF-RWYGWLOXSA-N |
CCC(=O)N1CCN(C[C@@H]1CC#N)c2nc(OCCN3CCN( CC3)C(=O)C4CCN(CC4)Cc5ccc(cc5)n6c(nnc6c7 cc(C(C)C)c(O)cc7O)C(N)=O)nc8CN(CCc28)c9c ccc%10cccc(Cl)c9%10; CCC(=O)N1CCN(CC1CC# N)c2c3c(nc(n2)OCCN4CCN(CC4)C(=O)C5CCN(CC 5)Cc6ccc(cc6)n7c(nnc7C(=O)N)c8cc(c(cc8O) O)C(C)C)CN(CC3)c9cccc1c9c(ccc1)Cl; CCC(= O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OCCN4CC N(CC4)C(=O)C5CCN(CC5)Cc6ccc(cc6)n7c(nnc7 C(=O)N)c8cc(c(cc8O)O)C(C)C)CN(CC3)c9cccc 1c9c(ccc1)Cl; CCC(=O)N1CCN(C[CH]1CC#N)c2 nc(OCCN3CCN(CC3)C(=O)C4CCN(CC4)Cc5ccc(cc 5)n6c(nnc6c7cc(C(C)C)c(O)cc7O)C(N)=O)nc8 CN(CCc28)c9cccc%10cccc(Cl)c9%10; CC(C)c1 cc(c(O)cc1O)c1nnc(C(N)=O)n1c1ccc(cc1)CN1 CCC(CC1)C(=O)N1CCN(CCOc2nc3CN(CCc3c(n2)N 2CC(CC#N)N(CC2)C(=O)CC)c2cccc3cccc(Cl)c3 2)CC1 |
(5M)-4-{4-[(4-{4-[2-({7-(8-chloronaphthalen-1-yl)-4-[(3S)-3-(cyanomethyl)-4-propanoylpiperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl}oxy)ethyl]piperazine-1-carbonyl}piperidin-1-yl)methyl]phenyl}-5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-carboxamide; RNK07311 |
| 15030 |  A1CRZ |
1 | C19 H12 Cl N3 | InChI=1S/C19H12ClN3/c20-1 8-12-17(14-7-9-21-10-8-14 )19(23-22-18)16-6-5-13-3- 1-2-4-15(13)11-16/h1-12H; XWQSPVNHITVMSG-UHFFFAOYSA-N |
c1ccc2cc(ccc2c1)c3c(cc(nn3)Cl)c4ccncc4; Clc1cc(c2ccncc2)c(nn1)c3ccc4ccccc4c3; Cl c1cc(c(nn1)c1ccc2ccccc2c1)c1ccncc1 |
(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine |
| 15031 |  A1CS0 |
1 | C8 H9 Br O2 | InChI=1S/C8H9BrO2/c9-8-3- 6(4-10)1-2-7(8)5-11/h1-3, 10-11H,4-5H2; KYBPOEADFKOHSI-UHFFFAOYSA-N |
c1cc(c(cc1CO)Br)CO; OCc1ccc(cc1Br)CO; OC c1ccc(CO)c(Br)c1 |
(2-bromo-1,4-phenylene)dimethanol |
| 15032 |  A1CS1 |
1 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c13-8 -3-1-7(2-4-8)9-10(14)12-6 -5-11-9/h1-4,9,11,13H,5-6 H2,(H,12,14)/t9-/m0/s1; ADKIVUSTQMRGNM-VIFPVBQESA-N |
Oc1ccc(cc1)[C@@H]2NCCNC2=O; O=C1NCCNC1c1 ccc(O)cc1; c1cc(ccc1C2C(=O)NCCN2)O; Oc1c cc(cc1)[CH]2NCCNC2=O |
(3S)-3-(4-hydroxyphenyl)piperazin-2-one |
| 15033 |  A1CS2 |
1 | C12 H14 O2 S | InChI=1S/C12H14O2S/c1-12( 7-4-8-12)15-10-6-3-2-5-9( 10)11(13)14/h2-3,5-6H,4,7 -8H2,1H3,(H,13,14); TWOIOJXEZHRNEE-UHFFFAOYSA-N |
CC1(CCC1)Sc2ccccc2C(O)=O; O=C(O)c1ccccc1 SC1(C)CCC1; CC1(CCC1)Sc2ccccc2C(=O)O |
2-[(1-methylcyclobutyl)sulfanyl]benzoic acid |
| 15034 |  A1CS3 |
0 | C7 H10 O3 | InChI=1S/C7H10O3/c1-10-7( 9)5-3-2-4-6(5)8/h5H,2-4H2 ,1H3/t5-/m0/s1; PZBBESSUKAHBHD-YFKPBYRVSA-N |
O=C1CCCC1C(=O)OC; COC(=O)C1CCCC1=O; COC( =O)[CH]1CCCC1=O; COC(=O)[C@H]1CCCC1=O |
methyl (1S)-2-oxocyclopentane-1-carboxylate |
| 15035 |  A1CS4 |
0 | C5 H5 B Br O2 S | InChI=1S/C5H5BBrO2S/c1-3- 4(7)2-5(10-3)6(8)9/h2,8H, 1H3; LBOZEMFTUYESPV-UHFFFAOYSA-N |
B(=O)(c1cc(c(s1)C)Br)O; Cc1sc(cc1Br)[B]( O)=O |
(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron |
| 15036 |  A1CS5 CHEMBL1568338 |
1 | C9 H11 N3 O2 | InChI=1S/C9H11N3O2/c1-6(1 3)10-8-4-3-5-9(12-8)11-7( 2)14/h3-5H,1-2H3,(H2,10,1 1,12,13,14); DVKNWDFYHWHRML-UHFFFAOYSA-N |
CC(=O)Nc1cccc(NC(C)=O)n1; O=C(C)Nc1cccc( NC(C)=O)n1; CC(=O)Nc1cccc(n1)NC(=O)C |
N,N'-(pyridine-2,6-diyl)diacetamide |
| 15037 |  A1CSC |
1 | C8 H9 N O3 | InChI=1S/C8H9NO3/c1-12-8( 11)5-3-2-4-6(9)7(5)10/h2- 4,10H,9H2,1H3; OMWQHVRUXLRZRC-UHFFFAOYSA-N |
COC(=O)c1cccc(c1O)N; Nc1cccc(C(=O)OC)c1O ; COC(=O)c1cccc(N)c1O |
methyl 3-amino-2-hydroxybenzoate |
| 15038 |  A1CSD |
2 | C29 H26 F2 N4 O | InChI=1S/C29H26F2N4O/c1-4 -17-21(30)8-5-14-9-16(36) 10-18(22(14)17)27-25(31)2 9-24(26(33-27)13(2)3)28(3 4-35(29)15-6-7-15)23-19-1 1-32-12-20(19)23/h1,5,8-1 0,13,15,19-20,23,32,36H,6 -7,11-12H2,2-3H3/t19-,20+ ,23+; ZGMAEZGKDREUBS-NPHXMPSESA-N |
CC(C)c1c2c(c(c(n1)c3cc(cc4c3c(c(cc4)F)C# C)O)F)n(nc2C5C6C5CNC6)C7CC7; CC(C)c1c2c( c(c(n1)c3cc(cc4c3c(c(cc4)F)C#C)O)F)n(nc2 C5[C@H]6[C@@H]5CNC6)C7CC7; CC(C)c1nc(c(F )c2n(nc(C3[C@@H]4CNC[C@H]34)c12)C5CC5)c6 cc(O)cc7ccc(F)c(C#C)c67; CC(C)c1nc(c(F)c 2n(nc(C3[CH]4CNC[CH]34)c12)C5CC5)c6cc(O) cc7ccc(F)c(C#C)c67; C#Cc1c2c(ccc1F)cc(O) cc2c1nc(c2c(c1F)n(nc2C1C2CNCC21)C1CC1)C( C)C |
(4P)-4-{3-[(1R,5S,6r)-3-azabicyclo[3.1.0]hexan-6-yl]-1-cyclopropyl-7-fluoro-4-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl}-5-ethynyl-6-fluoronaphthalen-2-ol |
| 15039 |  A1CSV |
1 | C12 H17 N | InChI=1S/C12H17N/c1-13(2) 12-8-7-10-5-3-4-6-11(10)9 -12/h3-6,12H,7-9H2,1-2H3/ t12-/m0/s1; WGCDXGZYCIMFTN-LBPRGKRZSA-N |
CN(C)C1CCc2ccccc2C1; CN(C)[CH]1CCc2ccccc 2C1; CN(C)C1Cc2ccccc2CC1; CN(C)[C@H]1CCc 2ccccc2C1 |
(2S)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine |
| 15040 |  A1CSW |
1 | C13 H24 N | InChI=1S/C13H24N/c1-14(2, 3)13-7-10-4-11(8-13)6-12( 5-10)9-13/h10-12H,4-9H2,1 -3H3/q+1/t10-,11+,12-,13-; KKXBPUAYFJQMLN-WNGYAQOMSA-N |
C[N+](C)(C)C12CC3CC(CC(C3)C1)C2; C[N+](C )(C)C12CC3CC(CC(C1)C3)C2; C[N+](C)(C)C12 CC3CC(C1)CC(C3)C2 |
1-(trimethyl-$l^{4}-azanyl)adamantane |
| 15041 |  A1CSX |
2 | C29 H28 Cl2 F2 N6 O3 | InChI=1S/C29H28Cl2F2N6O3/ c30-19-2-3-20(24(33)12-19 )27-21(29(41)37-25(13-26( 34)40)17-1-4-23(32)22(31) 11-17)15-35-28(27)18-14-3 6-39(16-18)6-5-38-7-9-42- 10-8-38/h1-4,11-12,14-16, 25,35H,5-10,13H2,(H2,34,4 0)(H,37,41)/t25-/m0/s1; YZJAUYCZRMQXSE-VWLOTQADSA-N |
c1cc(c(cc1C(CC(=O)N)NC(=O)c2c[nH]c(c2c3c cc(cc3F)Cl)c4cnn(c4)CCN5CCOCC5)Cl)F; NC( =O)C[C@H](NC(=O)c1c[nH]c(c2cnn(CCN3CCOCC 3)c2)c1c4ccc(Cl)cc4F)c5ccc(F)c(Cl)c5; c1 cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c 3ccc(cc3F)Cl)c4cnn(c4)CCN5CCOCC5)Cl)F; F c1ccc(cc1Cl)C(CC(N)=O)NC(=O)c1c[NH]c(c1c 1ccc(Cl)cc1F)c1cn(CCN2CCOCC2)nc1; NC(=O) C[CH](NC(=O)c1c[nH]c(c2cnn(CCN3CCOCC3)c2 )c1c4ccc(Cl)cc4F)c5ccc(F)c(Cl)c5 |
(4P,5M)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-yl}-1H-pyrrole-3-carboxamide |
| 15042 |  A1CT0 |
0 | C7 H6 F N O | InChI=1S/C7H6FNO/c8-6-4-2 -1-3-5(6)7(9)10/h1-4H,(H2 ,9,10); KGGHWIKBOIQEAJ-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)N)F; NC(=O)c1ccccc1F; O= C(N)c1ccccc1F |
2-fluorobenzamide |
| 15043 |  A1CT1 |
1 | C13 H12 N2 S | InChI=1S/C13H12N2S/c16-13 (12-6-2-1-3-7-12)15-10-11 -5-4-8-14-9-11/h1-9H,10H2 ,(H,15,16); DLRDKFCFIJLYLT-UHFFFAOYSA-N |
c1ccc(cc1)C(=S)NCc2cccnc2; S=C(NCc1cccnc 1)c2ccccc2; S=C(NCc1cccnc1)c1ccccc1 |
N-[(pyridin-3-yl)methyl]benzenecarbothioamide |
| 15044 |  A1CT2 |
1 | C10 H14 N2 O | InChI=1S/C10H14N2O/c13-10 -3-1-9(2-4-10)12-7-5-11-6 -8-12/h1-4,11,13H,5-8H2; GPEOAEVZTOQXLG-UHFFFAOYSA-N |
Oc1ccc(cc1)N1CCNCC1; Oc1ccc(cc1)N2CCNCC2 ; c1cc(ccc1N2CCNCC2)O |
4-(piperazin-1-yl)phenol |
| 15045 |  A1CT4 |
11 | C15 H19 N3 O3 S | InChI=1S/C15H19N3O3S/c1-1 5(2,3)7-12(19)17-13(14(20 )18-21)9-4-5-11-10(6-9)16 -8-22-11/h4-6,8,13,21H,7H 2,1-3H3,(H,17,19)(H,18,20 )/t13-/m1/s1; BJEPPCMNJNEPNQ-CYBMUJFWSA-N |
CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2scnc2c 1; CC(C)(C)CC(=O)N[C@@H](C(=O)NO)c1ccc2s cnc2c1; CC(C)(C)CC(=O)N[C@H](c1ccc2c(c1) ncs2)C(=O)NO; CC(C)(C)CC(=O)NC(c1cc2ncsc 2cc1)C(=O)NO; CC(C)(C)CC(=O)NC(c1ccc2c(c 1)ncs2)C(=O)NO |
N-[(1R)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide |
| 15046 |  A1CT5 |
1 | C15 H19 N3 O3 S | InChI=1S/C15H19N3O3S/c1-1 5(2,3)7-12(19)17-13(14(20 )18-21)9-4-5-11-10(6-9)16 -8-22-11/h4-6,8,13,21H,7H 2,1-3H3,(H,17,19)(H,18,20 )/t13-/m0/s1; BJEPPCMNJNEPNQ-ZDUSSCGKSA-N |
CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2scnc2c 1; CC(C)(C)CC(=O)N[C@@H](c1ccc2c(c1)ncs2 )C(=O)NO; CC(C)(C)CC(=O)NC(c1cc2ncsc2cc1 )C(=O)NO; CC(C)(C)CC(=O)NC(c1ccc2c(c1)nc s2)C(=O)NO; CC(C)(C)CC(=O)N[C@H](C(=O)NO )c1ccc2scnc2c1 |
N-[(1S)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide |
| 15047 |  A1CTD |
1 | C25 H24 N4 | InChI=1S/C25H24N4/c1-29-1 4-10-20(11-15-29)24-17-23 (19-8-12-26-13-9-19)25(28 -27-24)22-7-6-18-4-2-3-5- 21(18)16-22/h2-9,12-13,16 -17,20H,10-11,14-15H2,1H3; MSCFDAJGRPMPRU-UHFFFAOYSA-N |
CN1CCC(CC1)c2cc(c3ccncc3)c(nn2)c4ccc5ccc cc5c4; CN1CCC(CC1)c2cc(c(nn2)c3ccc4ccccc 4c3)c5ccncc5; CN1CCC(CC1)c1nnc(c2cc3cccc c3cc2)c(c1)c1ccncc1 |
(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine |
| 15048 |  A1CTH |
2 | C17 H21 N3 O3 | InChI=1S/C17H21N3O3/c1-17 (2,3)10-14(21)19-15(16(22 )20-23)12-7-6-11-5-4-8-18 -13(11)9-12/h4-9,15,23H,1 0H2,1-3H3,(H,19,21)(H,20, 22)/t15-/m1/s1; SILKEJUPGUNUGQ-OAHLLOKOSA-N |
CC(C)(C)CC(=O)NC(c1ccc2cccnc2c1)C(=O)NO; CC(C)(C)CC(=O)N[C@H](c1ccc2cccnc2c1)C(= O)NO; CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2 cccnc2c1; CC(C)(C)CC(=O)NC(c1cc2ncccc2cc 1)C(=O)NO; CC(C)(C)CC(=O)N[C@@H](C(=O)NO )c1ccc2cccnc2c1 |
N-[(1R)-2-(hydroxyamino)-2-oxo-1-(quinolin-7-yl)ethyl]-3,3-dimethylbutanamide |
| 15049 |  A1CTT CHEMBL3085306 |
0 | C9 H11 N O2 | InChI=1S/C9H11NO2/c1-9(10 ,8(11)12)7-5-3-2-4-6-7/h2 -6H,10H2,1H3,(H,11,12)/t9 -/m0/s1; HTCSFFGLRQDZDE-VIFPVBQESA-N |
CC(N)(C(=O)O)c1ccccc1; CC(c1ccccc1)(C(=O )O)N; C[C@@](N)(C(O)=O)c1ccccc1; C[C@](c 1ccccc1)(C(=O)O)N; C[C](N)(C(O)=O)c1cccc c1 |
2-phenyl-D-alanine |
| 15050 |  A1CTU |
2 | C32 H34 Cl N9 O3 | InChI=1S/C32H34ClN9O3/c1- 17-16-42(32-34-15-23(33)3 0(38-32)36-19-5-8-25-18(1 2-19)13-28(44)40(25)2)11- 10-24(17)35-20-4-6-21-26( 14-20)41(3)39-29(21)22-7- 9-27(43)37-31(22)45/h4-6, 8,12,14-15,17,22,24,35H,7 ,9-11,13,16H2,1-3H3,(H,34 ,36,38)(H,37,43,45)/t17-, 22-,24-/m1/s1; JALIPZPFONOAJA-CUHUQNRHSA-N |
C[C@@H]1CN(CC[C@H]1Nc2ccc3c(c2)n(nc3[C@H ]4CCC(=O)NC4=O)C)c5ncc(c(n5)Nc6ccc7c(c6) CC(=O)N7C)Cl; O=C1Cc2cc(ccc2N1C)Nc1nc(nc c1Cl)N1CCC(Nc2ccc3c(c2)n(C)nc3C2CCC(=O)N C2=O)C(C)C1; CC1CN(CCC1Nc2ccc3c(c2)n(nc3 C4CCC(=O)NC4=O)C)c5ncc(c(n5)Nc6ccc7c(c6) CC(=O)N7C)Cl; C[C@@H]1CN(CC[C@H]1Nc2ccc3 c(c2)n(C)nc3[C@H]4CCC(=O)NC4=O)c5ncc(Cl) c(Nc6ccc7N(C)C(=O)Cc7c6)n5; C[CH]1CN(CC[ CH]1Nc2ccc3c(c2)n(C)nc3[CH]4CCC(=O)NC4=O )c5ncc(Cl)c(Nc6ccc7N(C)C(=O)Cc7c6)n5 |
(3R)-3-(6-{[(3R,4R)-1-{5-chloro-4-[(1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidin-2-yl}-3-methylpiperidin-4-yl]amino}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione |
| 15051 |  A1CTV |
1 | C20 H19 F6 N7 O2 | InChI=1S/C20H19F6N7O2/c21 -19(22,23)10-33-14-5-12(2 7-6-11(14)7-29-33)15-13(8 -28-31-15)30-16(34)32-4-3 -18(35,20(24,25)26)9-17(3 2)1-2-17/h5-8,35H,1-4,9-1 0H2,(H,28,31)(H,30,34)/t1 8-/m1/s1; HGQYUHFFAIXWDI-GOSISDBHSA-N |
O=C(Nc1cn[NH]c1c1cc2n(CC(F)(F)F)ncc2cn1) N1CCC(O)(CC21CC2)C(F)(F)F; O[C@@]1(CCN(C (=O)Nc2cn[nH]c2c3cc4n(CC(F)(F)F)ncc4cn3) C5(CC5)C1)C(F)(F)F; c1c2c(cnc1c3c(cn[nH] 3)NC(=O)N4CCC(CC45CC5)(C(F)(F)F)O)cnn2CC (F)(F)F; c1c2c(cnc1c3c(cn[nH]3)NC(=O)N4C C[C@@](CC45CC5)(C(F)(F)F)O)cnn2CC(F)(F)F ; O[C]1(CCN(C(=O)Nc2cn[nH]c2c3cc4n(CC(F) (F)F)ncc4cn3)C5(CC5)C1)C(F)(F)F |
(7R)-7-hydroxy-N-{(5P)-5-[1-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1H-pyrazol-4-yl}-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide |
| 15052 |  A1CTX |
1 | C16 H19 N5 O2 | InChI=1S/C16H19N5O2/c22-1 2-7-10-4-5-11(8-12)21(10) 16(23)19-14-9-18-20-15(14 )13-3-1-2-6-17-13/h1-3,6, 9-12,22H,4-5,7-8H2,(H,18, 20)(H,19,23)/t10-,11+,12+; IIMVWCQYCQRIGG-GDNZZTSVSA-N |
OC1CC2CCC(C1)N2C(=O)Nc1c[NH]nc1c1ncccc1; c1ccnc(c1)c2c(c[nH]n2)NC(=O)N3C4CCC3CC( C4)O; c1ccnc(c1)c2c(c[nH]n2)NC(=O)N3[C@@ H]4CC[C@H]3CC(C4)O; O[CH]1C[CH]2CC[CH](C 1)N2C(=O)Nc3c[nH]nc3c4ccccn4; O[C@H]1C[C @H]2CC[C@@H](C1)N2C(=O)Nc3c[nH]nc3c4cccc n4 |
(1R,3r,5S)-3-hydroxy-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-8-azabicyclo[3.2.1]octane-8-carboxamide |
| 15053 |  A1CU2 |
1 | C8 H10 N2 S | InChI=1S/C8H10N2S/c1-10(8 (9)11)7-5-3-2-4-6-7/h2-6H ,1H3,(H2,9,11); MCWZNJNWGQPUGL-UHFFFAOYSA-N |
CN(C(N)=S)c1ccccc1; CN(c1ccccc1)C(=S)N | N-methyl-N-phenylthiourea |
| 15054 |  A1CU3 |
2 | C13 H15 N3 O | InChI=1S/C13H15N3O/c1-10- 9-12(16-15-10)14-13(17)8- 7-11-5-3-2-4-6-11/h2-6,9H ,7-8H2,1H3,(H2,14,15,16,1 7); GFHPGCKEOBLEHY-UHFFFAOYSA-N |
Cc1cc([nH]n1)NC(=O)CCc2ccccc2; O=C(Nc1cc (C)n[NH]1)CCc1ccccc1 |
N-(3-methyl-1H-pyrazol-5-yl)-3-phenylpropanamide |
| 15055 |  A1CU4 |
1 | C15 H17 N3 S | InChI=1S/C15H17N3S/c1-11- 5-3-6-12(2)14(11)18-15(19 )17-10-13-7-4-8-16-9-13/h 3-9H,10H2,1-2H3,(H2,17,18 ,19); SNBGGOJNZMNJDZ-UHFFFAOYSA-N |
Cc1cccc(C)c1NC(=S)NCc2cccnc2; Cc1cccc(c1 NC(=S)NCc2cccnc2)C; Cc1cccc(C)c1NC(=S)NC c1cccnc1 |
N-(2,6-dimethylphenyl)-N'-[(pyridin-3-yl)methyl]thiourea |
| 15056 |  A1CU5 |
2 | C11 H12 N2 | InChI=1S/C11H12N2/c12-9-1 0-5-1-2-6-11(10)13-7-3-4- 8-13/h1-8H,9,12H2; BNDYBXDAGIQWOB-UHFFFAOYSA-N |
c1ccc(c(c1)CN)n2cccc2; NCc1ccccc1n1cccc1 ; NCc1ccccc1n2cccc2 |
1-[2-(1H-pyrrol-1-yl)phenyl]methanamine |
| 15057 |  A1CU6 |
1 | C9 H15 N O2 | InChI=1S/C9H15NO2/c1-7(11 )9-3-5-10(6-4-9)8(2)12/h9 H,3-6H2,1-2H3; VFZXZEJGLKOTBW-UHFFFAOYSA-N |
CC(=O)C1CCN(CC1)C(=O)C; CC(=O)C1CCN(CC1) C(C)=O; O=C(C)N1CCC(CC1)C(C)=O |
1,1'-(piperidine-1,4-diyl)di(ethan-1-one) |
| 15058 |  A1CU7 |
2 | C27 H24 Cl2 F2 N4 O4 | InChI=1S/C27H24Cl2F2N4O4/ c28-16-2-3-17(21(31)12-16 )26-18(14-33-22(26)5-6-25 (37)35-7-9-39-10-8-35)27( 38)34-23(13-24(32)36)15-1 -4-20(30)19(29)11-15/h1-6 ,11-12,14,23,33H,7-10,13H 2,(H2,32,36)(H,34,38)/b6- 5+/t23-/m0/s1; WBGMOBOOOCZHAR-NFOSPISASA-N |
c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c 2c3ccc(cc3F)Cl)/C=C/C(=O)N4CCOCC4)Cl)F; O=C(/C=C/c1[NH]cc(C(=O)NC(CC(N)=O)c2ccc( F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1CCOCC1; c1cc (c(cc1C(CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(c c3F)Cl)C=CC(=O)N4CCOCC4)Cl)F; NC(=O)C[CH ](NC(=O)c1c[nH]c(C=CC(=O)N2CCOCC2)c1c3cc c(Cl)cc3F)c4ccc(F)c(Cl)c4; NC(=O)C[C@H]( NC(=O)c1c[nH]c(/C=C/C(=O)N2CCOCC2)c1c3cc c(Cl)cc3F)c4ccc(F)c(Cl)c4 |
(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-[(1E)-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-1H-pyrrole-3-carboxamide |
| 15059 |  A1CU8 |
1 | C31 H35 N5 O4 | InChI=1S/C31H35N5O4/c1-4- 39-27(38)15-16-35-25-17-3 1(2,3)18-26(37)28(25)29(3 6-30(35)32-33-34-36)21-11 -13-23(14-12-21)40-19-22- 7-5-6-8-24(22)20-9-10-20/ h5-8,11-14,20,29H,4,9-10, 15-19H2,1-3H3/t29-/m1/s1; YAUUTZDTESJUSO-GDLZYMKVSA-N |
O=C(OCC)CCN1C=2CC(C)(C)CC(=O)C=2C(c2ccc( OCc3ccccc3C3CC3)cc2)n2nnnc12; CCOC(=O)CC N1c2nnnn2[C@@H](C3=C1CC(CC3=O)(C)C)c4ccc (cc4)OCc5ccccc5C6CC6; CCOC(=O)CCN1C2=C([ CH](n3nnnc13)c4ccc(OCc5ccccc5C6CC6)cc4)C (=O)CC(C)(C)C2; CCOC(=O)CCN1C2=C([C@H](n 3nnnc13)c4ccc(OCc5ccccc5C6CC6)cc4)C(=O)C C(C)(C)C2; CCOC(=O)CCN1c2nnnn2C(C3=C1CC( CC3=O)(C)C)c4ccc(cc4)OCc5ccccc5C6CC6 |
ethyl 3-[(8aS,9S,10S)-9-{4-[(2-cyclopropylphenyl)methoxy]phenyl}-6,6-dimethyl-8-oxo-7,8,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-4(6H)-yl]propanoate |
| 15060 |  A1CU9 |
2 | C13 H17 N3 | InChI=1S/C13H17N3/c1-15-7 -2-8-16(10-9-15)13-5-3-12 (11-14)4-6-13/h3-6H,2,7-1 0H2,1H3; LWRMQRYMWJWCLS-UHFFFAOYSA-N |
CN1CCCN(CC1)c2ccc(cc2)C#N; CN1CCCN(CC1)c 1ccc(C#N)cc1 |
4-(4-methyl-1,4-diazepan-1-yl)benzonitrile |
| 15061 |  A1CUB |
2 | C8 H9 N O3 S | InChI=1S/C8H9NO3S/c1-6(10 )7-2-4-8(5-3-7)13(9,11)12 /h2-5H,1H3,(H2,9,11,12); CSATVXJBGFVJES-UHFFFAOYSA-N |
CC(=O)c1ccc(cc1)[S](N)(=O)=O; CC(=O)c1cc c(cc1)S(=O)(=O)N; O=S(N)(=O)c1ccc(cc1)C( C)=O |
4-acetylbenzene-1-sulfonamide |
| 15062 |  A1CUC |
2 | C6 H6 Cl N O2 S | InChI=1S/C6H6ClNO2S/c7-5- 2-1-3-6(4-5)11(8,9)10/h1- 4H,(H2,8,9,10); WSYQJNPRQUFCGL-UHFFFAOYSA-N |
N[S](=O)(=O)c1cccc(Cl)c1; c1cc(cc(c1)Cl) S(=O)(=O)N; O=S(N)(=O)c1cc(Cl)ccc1 |
3-chlorobenzene-1-sulfonamide |
| 15063 |  A1CUD |
1 | C12 H9 F N2 O | InChI=1S/C12H9FN2O/c13-10 -5-1-2-6-11(10)15-12(16)9 -4-3-7-14-8-9/h1-8H,(H,15 ,16); NFDGKRRKIIFBAB-UHFFFAOYSA-N |
Fc1ccccc1NC(=O)c2cccnc2; O=C(Nc1ccccc1F) c1cccnc1; c1ccc(c(c1)NC(=O)c2cccnc2)F |
N-(2-fluorophenyl)pyridine-3-carboxamide |
| 15064 |  A1CUE |
1 | C8 H12 N2 O | InChI=1S/C8H12N2O/c9-5-4- 8(11)10-6-2-1-3-7-10/h1-4 ,6-7H2; ANLQHFYDQPMDJY-UHFFFAOYSA-N |
C1CCN(CC1)C(=O)CC#N; O=C(CC#N)N1CCCCC1 | 3-oxo-3-(piperidin-1-yl)propanenitrile |
| 15065 |  A1CUK |
1 | C8 H9 N O3 S | InChI=1S/C8H9NO3S/c9-13(1 0,11)8-2-1-6-4-12-5-7(6)3 -8/h1-3H,4-5H2,(H2,9,10,1 1); NCAGOQKFTHTONQ-UHFFFAOYSA-N |
c1cc2c(cc1S(=O)(=O)N)COC2; N[S](=O)(=O)c 1ccc2COCc2c1; NS(=O)(=O)c1ccc2COCc2c1 |
1,3-dihydro-2-benzofuran-5-sulfonamide |
| 15066 |  A1CUL |
1 | C11 H7 Cl N4 O2 | InChI=1S/C11H7ClN4O2/c12- 6-1-2-7(15-5-6)16-10(17)8 -9(11(16)18)14-4-3-13-8/h 1-5,10,17H/t10-/m0/s1; FUUXOEKDNNWZTR-JTQLQIEISA-N |
Clc1ccc(nc1)N1C(=O)c2nccnc2C1O; c1cc(ncc 1Cl)N2C(c3c(nccn3)C2=O)O; O[CH]1N(c2ccc( Cl)cn2)C(=O)c3nccnc13; O[C@@H]1N(c2ccc(C l)cn2)C(=O)c3nccnc13; c1cc(ncc1Cl)N2[C@H ](c3c(nccn3)C2=O)O |
(7S)-6-(5-chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-one |
| 15067 |  A1CUM |
0 | C12 H16 N2 O S | InChI=1S/C12H16N2OS/c1-10 -4-2-3-5-11(10)13-12(16)1 4-6-8-15-9-7-14/h2-5H,6-9 H2,1H3,(H,13,16); GYUXEKCEGBXHAJ-UHFFFAOYSA-N |
Cc1ccccc1NC(=S)N2CCOCC2; S=C(Nc1ccccc1C) N1CCOCC1 |
N-(2-methylphenyl)morpholine-4-carbothioamide |
| 15068 |  A1CUO |
1 | C10 H14 N2 O | InChI=1S/C10H14N2O/c1-10( 2,3)9(13)12-8-4-6-11-7-5- 8/h4-7H,1-3H3,(H,11,12,13 ); JCMMVFHXRDNILC-UHFFFAOYSA-N |
CC(C)(C)C(=O)Nc1ccncc1; O=C(Nc1ccncc1)C( C)(C)C |
2,2-dimethyl-N-(pyridin-4-yl)propanamide |
| 15069 |  A1CUP |
2 | C15 H17 N3 S | InChI=1S/C15H17N3S/c1-11- 3-4-14(12(2)9-11)18-15(19 )17-10-13-5-7-16-8-6-13/h 3-9H,10H2,1-2H3,(H2,17,18 ,19); AVMBVPJDQAVSAV-UHFFFAOYSA-N |
Cc1ccc(c(c1)C)NC(=S)NCc2ccncc2; Cc1ccc(N C(=S)NCc2ccncc2)c(C)c1 |
N-(2,4-dimethylphenyl)-N'-[(pyridin-4-yl)methyl]thiourea |
| 15070 |  A1CUQ |
1 | C11 H10 N2 S | InChI=1S/C11H10N2S/c12-11 (14)9-4-3-5-10(8-9)13-6-1 -2-7-13/h1-8H,(H2,12,14); LKZUYCBQOPNMNQ-UHFFFAOYSA-N |
c1ccn(c1)c2cccc(c2)C(=S)N; NC(=S)c1cccc( c1)n1cccc1; NC(=S)c1cccc(c1)n2cccc2 |
3-(1H-pyrrol-1-yl)benzene-1-carbothioamide |
| 15071 |  A1CUR |
1 | C14 H15 N O2 S | InChI=1S/C14H15NO2S/c16-1 4(12-5-2-1-3-6-12)15-8-10 -18-11-13-7-4-9-17-13/h1- 7,9H,8,10-11H2,(H,15,16); QLVJAPWKBRXUOG-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)NCCSCc2ccco2; O=C(NCCSCc1 occc1)c2ccccc2; O=C(NCCSCc1ccco1)c1ccccc 1 |
N-(2-{[(furan-2-yl)methyl]sulfanyl}ethyl)benzamide |
| 15072 |  A1CUS |
1 | C11 H12 N2 O | InChI=1S/C11H12N2O/c1-9-7 -8-11(14)13(12-9)10-5-3-2 -4-6-10/h2-6H,7-8H2,1H3; KQVXOJQOQRTUDA-UHFFFAOYSA-N |
CC1=NN(C(=O)CC1)c2ccccc2; O=C1CCC(C)=NN1 c1ccccc1 |
6-methyl-2-phenyl-4,5-dihydropyridazin-3(2H)-one |
| 15073 |  A1CUU |
1 | C7 H12 N2 O | InChI=1S/C7H12N2O/c1-7(2, 3)5-4-6(10)9-8-5/h4H2,1-3 H3,(H,9,10); VDNOHRWEOSDGQX-UHFFFAOYSA-N |
CC(C)(C)C=1CC(=O)NN=1; CC(C)(C)C1=NNC(=O )C1 |
5-tert-butyl-2,4-dihydro-3H-pyrazol-3-one |
| 15074 |  A1CUV |
1 | C9 H14 N2 O | InChI=1S/C9H14N2O/c1-3-5- 7-8(6-4-2)10-11-9(7)12/h3 ,7H,1,4-6H2,2H3,(H,11,12) /t7-/m0/s1; PWSMRCNUCWFXAH-ZETCQYMHSA-N |
CCCC1=NNC(=O)[CH]1CC=C; CCCC1=NNC(=O)[C@ H]1CC=C; CCCC1=NNC(=O)C1CC=C |
(4S)-4-(prop-2-en-1-yl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| 15075 |  A1CUW |
1 | C16 H21 F N2 O | InChI=1S/C16H21FN2O/c1-19 -13-6-7-14(19)10-12(9-13) 18-16(20)8-11-4-2-3-5-15( 11)17/h2-5,12-14H,6-10H2, 1H3,(H,18,20)/t12-,13-,14 +; WSKHBFGUDAWDLB-ZSOGYDGISA-N |
CN1[C@H]2CC[C@@H]1C[C@H](C2)NC(=O)Cc3ccc cc3F; CN1C2CCC1CC(C2)NC(=O)Cc1ccccc1F; C N1[CH]2CC[CH]1C[CH](C2)NC(=O)Cc3ccccc3F; CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)Cc3ccccc3 F; CN1C2CCC1CC(C2)NC(=O)Cc3ccccc3F |
2-(2-fluorophenyl)-N-[(1R,3s,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide |
| 15076 |  A1CUX |
1 | C13 H13 N O | InChI=1S/C13H13NO/c14-12- 6-4-5-11(9-12)10-15-13-7- 2-1-3-8-13/h1-9H,10,14H2; FSQPEMRQTZGIRF-UHFFFAOYSA-N |
Nc1cccc(COc2ccccc2)c1; c1ccc(cc1)OCc2ccc c(c2)N |
3-(phenoxymethyl)aniline |
| 15077 |  A1CUY |
1 | C14 H14 O2 | InChI=1S/C14H14O2/c15-10- 12-6-4-5-7-13(12)11-16-14 -8-2-1-3-9-14/h1-9,15H,10 -11H2; RMRTWBZKENSMCI-UHFFFAOYSA-N |
c1ccc(cc1)OCc2ccccc2CO; OCc1ccccc1COc2cc ccc2; OCc1ccccc1COc1ccccc1 |
[2-(phenoxymethyl)phenyl]methanol |
| 15078 |  A1CV0 |
1 | C11 H19 N O2 | InChI=1S/C11H19NO2/c13-11 (10-4-8-14-9-5-10)12-6-2- 1-3-7-12/h10H,1-9H2; FTIULBBVEBFNBK-UHFFFAOYSA-N |
O=C(C1CCOCC1)N2CCCCC2; C1CCN(CC1)C(=O)C2 CCOCC2; O=C(N1CCCCC1)C1CCOCC1 |
(oxan-4-yl)(piperidin-1-yl)methanone |
| 15079 |  A1CV1 |
1 | C12 H14 N2 O | InChI=1S/C12H14N2O/c1-2-1 2-10(3-4-13-12)9-11(1)14- 5-7-15-8-6-14/h1-4,9,13H, 5-8H2; RGNJKFHZEOSSBO-UHFFFAOYSA-N |
c1cc(cc2cc[NH]c12)N1CCOCC1; c1cc2c(cc[nH ]2)cc1N3CCOCC3; C1CN(CCO1)c2ccc3[nH]ccc3 c2 |
5-(morpholin-4-yl)-1H-indole |
| 15080 |  A1CV2 |
1 | C11 H15 N O2 | InChI=1S/C11H15NO2/c13-9- 10-1-3-11(4-2-10)12-5-7-1 4-8-6-12/h1-4,13H,5-9H2; KUAHZNZWSIDSTH-UHFFFAOYSA-N |
c1cc(ccc1CO)N2CCOCC2; OCc1ccc(cc1)N2CCOC C2; OCc1ccc(cc1)N1CCOCC1 |
[4-(morpholin-4-yl)phenyl]methanol |
| 15081 |  A1CV3 |
0 | C9 H15 N O2 | InChI=1S/C9H15NO2/c11-9(8 -2-1-3-8)10-4-6-12-7-5-10 /h8H,1-7H2; PNAUTTGUBWLOMQ-UHFFFAOYSA-N |
O=C(C1CCC1)N1CCOCC1; C1CC(C1)C(=O)N2CCOC C2; O=C(C1CCC1)N2CCOCC2 |
cyclobutyl(morpholin-4-yl)methanone |
| 15082 |  A1CV4 |
1 | C7 H7 F2 N3 S | InChI=1S/C7H7F2N3S/c8-4-1 -2-6(5(9)3-4)11-7(13)12-1 0/h1-3H,10H2,(H2,11,12,13 ); RNPFEUCQZZXGCF-UHFFFAOYSA-N |
S=C(Nc1ccc(F)cc1F)NN; NNC(=S)Nc1ccc(F)cc 1F; c1cc(c(cc1F)F)NC(=S)NN |
N-(2,4-difluorophenyl)hydrazinecarbothioamide |
| 15083 |  A1CV5 |
1 | C11 H11 N O | InChI=1S/C11H11NO/c13-9-1 0-4-3-5-11(8-10)12-6-1-2- 7-12/h1-8,13H,9H2; QQXDXYAGEXWXQU-UHFFFAOYSA-N |
c1ccn(c1)c2cccc(c2)CO; OCc1cccc(c1)n1ccc c1; OCc1cccc(c1)n2cccc2 |
[3-(1H-pyrrol-1-yl)phenyl]methanol |
| 15084 |  A1CV6 |
1 | C5 H10 N2 S | InChI=1S/C5H10N2S/c8-5-6- 3-1-2-4-7-5/h1-4H2,(H2,6, 7,8); ZLJLVKBAMJHNJH-UHFFFAOYSA-N |
S=C1NCCCCN1; C1CCNC(=S)NC1 | 1,3-diazepane-2-thione |
| 15085 |  A1CV7 |
2 | C11 H16 N2 O S | InChI=1S/C11H16N2OS/c1-9( 14)10-3-4-11(15-10)13-7-5 -12(2)6-8-13/h3-4H,5-8H2, 1-2H3; BLQHZDIATBOGFY-UHFFFAOYSA-N |
CN1CCN(CC1)c2sc(cc2)C(C)=O; CC(=O)c1ccc( s1)N1CCN(C)CC1; CC(=O)c1ccc(s1)N2CCN(CC2 )C |
1-[5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethan-1-one |
| 15086 |  A1CVA |
1 | C8 H8 F3 N3 S | InChI=1S/C8H8F3N3S/c9-8(1 0,11)5-2-1-3-6(4-5)13-7(1 5)14-12/h1-4H,12H2,(H2,13 ,14,15); KDDAUQBQXBHUPJ-UHFFFAOYSA-N |
S=C(Nc1cc(ccc1)C(F)(F)F)NN; c1cc(cc(c1)N C(=S)NN)C(F)(F)F; NNC(=S)Nc1cccc(c1)C(F) (F)F |
N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide |
| 15087 |  A1CVB |
1 | C11 H16 N2 O | InChI=1S/C11H16N2O/c12-9- 10-3-1-2-4-11(10)13-5-7-1 4-8-6-13/h1-4H,5-9,12H2; RNYURNUANACIKS-UHFFFAOYSA-N |
NCc1ccccc1N2CCOCC2; NCc1ccccc1N1CCOCC1; c1ccc(c(c1)CN)N2CCOCC2 |
1-[2-(morpholin-4-yl)phenyl]methanamine |
| 15088 |  A1CVC |
1 | C11 H10 N2 O | InChI=1S/C11H10N2O/c1-9(1 4)10-2-4-11(5-3-10)13-7-6 -12-8-13/h2-8H,1H3; GAIQQJIMVVUTQN-UHFFFAOYSA-N |
CC(=O)c1ccc(cc1)n2ccnc2; CC(=O)c1ccc(cc1 )n1ccnc1 |
1-[4-(1H-imidazol-1-yl)phenyl]ethan-1-one |
| 15089 |  A1CVD |
1 | C11 H9 F N2 O | InChI=1S/C11H9FN2O/c12-9- 3-1-2-4-10(9)15-11-6-5-8( 13)7-14-11/h1-7H,13H2; YAFQPQWPYSVBIY-UHFFFAOYSA-N |
c1ccc(c(c1)Oc2ccc(cn2)N)F; Fc1ccccc1Oc1c cc(N)cn1; Nc1ccc(Oc2ccccc2F)nc1 |
6-(2-fluorophenoxy)pyridin-3-amine |
| 15090 |  A1CVE |
1 | C9 H18 N2 O S | InChI=1S/C9H18N2OS/c12-7- 6-10-9(13)11-8-4-2-1-3-5- 8/h8,12H,1-7H2,(H2,10,11, 13); OSSNZOUVMDUFJA-UHFFFAOYSA-N |
OCCNC(=S)NC1CCCCC1; C1CCC(CC1)NC(=S)NCCO ; S=C(NC1CCCCC1)NCCO |
N-cyclohexyl-N'-(2-hydroxyethyl)thiourea |
| 15091 |  A1CVF |
1 | C14 H23 N3 | InChI=1S/C14H23N3/c1-15-1 2-13-4-6-14(7-5-13)17-9-3 -8-16(2)10-11-17/h4-7,15H ,3,8-12H2,1-2H3; NOEOYDRQGMQWID-UHFFFAOYSA-N |
CNCc1ccc(cc1)N2CCCN(CC2)C; CN1CCCN(CC1)c 1ccc(CNC)cc1; CNCc1ccc(cc1)N2CCCN(C)CC2 |
N-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]methanamine |
| 15092 |  A1CVG |
1 | C26 H27 N5 O2 | InChI=1S/C26H27N5O2/c1-26 (2)13-21-23(22(32)14-26)2 4(31-25(27-21)28-29-30-31 )17-9-11-19(12-10-17)33-1 5-18-5-3-4-6-20(18)16-7-8 -16/h3-6,9-12,16,24H,7-8, 13-15H2,1-2H3,(H,27,28,30 )/t24-/m1/s1; ARVXHSFXFQOSJX-XMMPIXPASA-N |
CC1(CC2=C([C@H](n3c(nnn3)N2)c4ccc(cc4)OC c5ccccc5C6CC6)C(=O)C1)C; CC1(C)CC(=O)C2= C(C1)Nc3nnnn3[C@@H]2c4ccc(OCc5ccccc5C6CC 6)cc4; O=C1CC(C)(C)CC=2Nc3nnnn3C(c3ccc(O Cc4ccccc4C4CC4)cc3)C=21; CC1(CC2=C(C(n3c (nnn3)N2)c4ccc(cc4)OCc5ccccc5C6CC6)C(=O) C1)C; CC1(C)CC(=O)C2=C(C1)Nc3nnnn3[CH]2c 4ccc(OCc5ccccc5C6CC6)cc4 |
(8aR,9S,10R)-9-{4-[(2-cyclopropylphenyl)methoxy]phenyl}-6,6-dimethyl-6,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(5H)-one |
| 15093 |  A1CVH |
1 | C13 H20 N2 | InChI=1S/C13H20N2/c1-14-1 1-12-6-5-7-13(10-12)15-8- 3-2-4-9-15/h5-7,10,14H,2- 4,8-9,11H2,1H3; WHELHMLNRPDTJU-UHFFFAOYSA-N |
CNCc1cc(ccc1)N1CCCCC1; CNCc1cccc(c1)N2CC CCC2 |
N-methyl-1-[3-(piperidin-1-yl)phenyl]methanamine |
| 15094 |  A1CVI |
2 | C5 H5 N O S | InChI=1S/C5H5NOS/c6-5(7)4 -2-1-3-8-4/h1-3H,(H2,6,7); DENPQNAWGQXKCU-UHFFFAOYSA-N |
NC(=O)c1sccc1; c1cc(sc1)C(=O)N; NC(=O)c1 cccs1 |
thiophene-2-carboxamide |
| 15095 |  A1CVJ |
1 | C12 H18 N2 O S | InChI=1S/C12H18N2OS/c1-8( 2)13-12(15)14-6-4-11-10(9 (14)3)5-7-16-11/h5,7-9H,4 ,6H2,1-3H3,(H,13,15)/t9-/ m0/s1; XPOMGKHWPJNPLH-VIFPVBQESA-N |
C[C@H]1c2ccsc2CCN1C(=O)NC(C)C; CC(C)NC(= O)N1CCc2sccc2C1C; CC(C)NC(=O)N1CCc2sccc2 [CH]1C; CC1c2ccsc2CCN1C(=O)NC(C)C; CC(C) NC(=O)N1CCc2sccc2[C@@H]1C |
(4S)-4-methyl-N-(propan-2-yl)-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide |
| 15096 |  A1CVK |
1 | C7 H5 Cl2 N O | InChI=1S/C7H5Cl2NO/c8-4-1 -2-5(7(10)11)6(9)3-4/h1-3 H,(H2,10,11); XXFUNTSOBHSMBU-UHFFFAOYSA-N |
c1cc(c(cc1Cl)Cl)C(=O)N; NC(=O)c1ccc(Cl)c c1Cl; O=C(N)c1ccc(Cl)cc1Cl |
2,4-dichlorobenzamide |
| 15097 |  A1CVL |
1 | C17 H24 N2 O | InChI=1S/C17H24N2O/c20-17 (15-7-4-8-15)18-16-9-11-1 9(12-10-16)13-14-5-2-1-3- 6-14/h1-3,5-6,15-16H,4,7- 13H2,(H,18,20); XUJMDQBYCUHWQE-UHFFFAOYSA-N |
O=C(NC1CCN(CC1)Cc2ccccc2)C3CCC3; c1ccc(c c1)CN2CCC(CC2)NC(=O)C3CCC3; O=C(NC1CCN(C c2ccccc2)CC1)C1CCC1 |
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide |
| 15098 |  A1CVM |
1 | C13 H11 Cl N2 O | InChI=1S/C13H11ClN2O/c14- 12-7-2-1-6-11(12)13(17)16 -9-10-5-3-4-8-15-10/h1-8H ,9H2,(H,16,17); XKXMLNIPBUIQLH-UHFFFAOYSA-N |
Clc1ccccc1C(=O)NCc2ccccn2; Clc1ccccc1C(= O)NCc1ccccn1; c1ccc(c(c1)C(=O)NCc2ccccn2 )Cl |
2-chloro-N-[(pyridin-2-yl)methyl]benzamide |
| 15099 |  A1CVN |
1 | C9 H10 Cl2 N2 O | InChI=1S/C9H10Cl2N2O/c1-1 3(2)9(14)12-7-5-3-4-6(10) 8(7)11/h3-5H,1-2H3,(H,12, 14); ZVPQMESWKIQHGS-UHFFFAOYSA-N |
CN(C)C(=O)Nc1cccc(c1Cl)Cl; CN(C)C(=O)Nc1 cccc(Cl)c1Cl; Clc1c(NC(=O)N(C)C)cccc1Cl |
N'-(2,3-dichlorophenyl)-N,N-dimethylurea |
| 15100 |  A1CVO |
1 | C15 H22 N2 O | InChI=1S/C15H22N2O/c1-11- 7-6-8-12(2)14(11)16-15(18 )13(3)17-9-4-5-10-17/h6-8 ,13H,4-5,9-10H2,1-3H3,(H, 16,18)/t13-/m0/s1; MGBIINXEYXQNSC-ZDUSSCGKSA-N |
C[C@H](N1CCCC1)C(=O)Nc2c(C)cccc2C; Cc1cc cc(c1NC(=O)C(C)N2CCCC2)C; O=C(Nc1c(C)ccc c1C)C(C)N1CCCC1; Cc1cccc(c1NC(=O)[C@H](C )N2CCCC2)C; C[CH](N1CCCC1)C(=O)Nc2c(C)cc cc2C |
(2S)-N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-yl)propanamide |
| 15101 |  A1CVP |
1 | C9 H6 F2 N2 O | InChI=1S/C9H6F2N2O/c1-5(1 4)13-9-6(4-12)2-7(10)3-8( 9)11/h2-3H,1H3,(H,13,14); BCORERVQXIHMTR-UHFFFAOYSA-N |
O=C(C)Nc1c(cc(F)cc1F)C#N; CC(=O)Nc1c(cc( cc1F)F)C#N; CC(=O)Nc1c(F)cc(F)cc1C#N |
N-(2-cyano-4,6-difluorophenyl)acetamide |
| 15102 |  A1CVQ |
2 | C28 H24 Cl2 F2 N4 O2 | InChI=1S/C28H24Cl2F2N4O2/ c29-18-5-6-19(23(32)15-18 )27-20(16-34-25(27)8-9-26 (37)36-12-2-1-3-13-36)28( 38)35-24(10-11-33)17-4-7- 22(31)21(30)14-17/h4-9,14 -16,24,34H,1-3,10,12-13H2 ,(H,35,38)/b9-8+/t24-/m0/ s1; JRFYWQJVRXXZON-KDLSMAQYSA-N |
Fc1ccc(cc1Cl)[CH](CC#N)NC(=O)c2c[nH]c(C= CC(=O)N3CCCCC3)c2c4ccc(Cl)cc4F; Fc1ccc(c c1Cl)[C@H](CC#N)NC(=O)c2c[nH]c(/C=C/C(=O )N3CCCCC3)c2c4ccc(Cl)cc4F; c1cc(c(cc1C(C C#N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)C=CC( =O)N4CCCCC4)Cl)F; c1cc(c(cc1[C@H](CC#N)N C(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)/C=C/C(=O) N4CCCCC4)Cl)F; O=C(/C=C/c1[NH]cc(C(=O)NC (CC#N)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)cc1F)N1 CCCCC1 |
(4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(piperidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide |
| 15103 |  A1CVS CHEMBL1198696 |
1 | C10 H16 N2 O10 P2 S | InChI=1S/C10H16N2O10P2S/c 13-6-1-2-12(10(25)11-6)9- 8(15)7(14)5(22-9)3-21-24( 19,20)4-23(16,17)18/h1-2, 5,7-9,14-15H,3-4H2,(H,19, 20)(H,11,13,25)(H2,16,17, 18)/t5-,7-,8-,9-/m1/s1; VAZIBAQQXATRMK-ZOQUXTDFSA-N |
C1=CN(C(=S)NC1=O)C2C(C(C(O2)COP(=O)(CP(= O)(O)O)O)O)O; C1=CN(C(=S)NC1=O)[C@H]2[C@ @H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)O)O )O)O; O=P(O)(O)CP(=O)(O)OCC1OC(N2C=CC(=O )NC2=S)C(O)C1O; O[CH]1[CH](O)[CH](O[CH]1 CO[P](O)(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=S ; O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O )(=O)C[P](O)(O)=O)N2C=CC(=O)NC2=S |
1-{5-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-beta-D-ribofuranosyl}-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| 15104 |  A1CVV |
1 | C11 H16 N2 O S | InChI=1S/C11H16N2OS/c1-8- 4-3-5-9(2)10(8)13-11(15)1 2-6-7-14/h3-5,14H,6-7H2,1 -2H3,(H2,12,13,15); JYWDCHNCNXURHP-UHFFFAOYSA-N |
Cc1cccc(C)c1NC(=S)NCCO; Cc1cccc(c1NC(=S) NCCO)C; S=C(Nc1c(C)cccc1C)NCCO |
N-(2,6-dimethylphenyl)-N'-(2-hydroxyethyl)thiourea |
| 15105 |  A1CVW |
1 | C9 H10 N2 O S | InChI=1S/C9H10N2OS/c1-6-5 -8(12)10-11-9(6)7-3-2-4-1 3-7/h2-4,6H,5H2,1H3,(H,10 ,12)/t6-/m1/s1; BOCCVGZLBZVNLV-ZCFIWIBFSA-N |
C[CH]1CC(=O)NN=C1c2sccc2; CC1CC(=O)NN=C1 c1cccs1; C[C@@H]1CC(=O)NN=C1c2cccs2; CC1 CC(=O)NN=C1c2cccs2; C[C@@H]1CC(=O)NN=C1c 2sccc2 |
(5R)-5-methyl-6-(thiophen-2-yl)-4,5-dihydropyridazin-3(2H)-one |
| 15106 |  A1CVX |
1 | C10 H14 N2 O | InChI=1S/C10H14N2O/c11-9- 2-1-3-10(8-9)12-4-6-13-7- 5-12/h1-3,8H,4-7,11H2; ZJWLMZURLIHVHE-UHFFFAOYSA-N |
Nc1cccc(c1)N2CCOCC2; Nc1cc(ccc1)N1CCOCC1 ; c1cc(cc(c1)N2CCOCC2)N |
3-(morpholin-4-yl)aniline |
| 15107 |  A1CVZ |
1 | C10 H10 N2 O | InChI=1S/C10H10N2O/c1-7(1 3)12-6-5-8-3-2-4-9(11)10( 8)12/h2-6H,11H2,1H3; NEMCRSAEDZCLQC-UHFFFAOYSA-N |
CC(=O)n1ccc2c1c(ccc2)N; CC(=O)n1ccc2cccc (N)c12; CC(=O)n1ccc2cccc(N)c21 |
1-(7-amino-1H-indol-1-yl)ethan-1-one |
| 15108 |  A1CW0 |
1 | C5 H3 Br Cl N O | InChI=1S/C5H3BrClNO/c6-5- 1-4(9)3(7)2-8-5/h1-2H,(H, 8,9); CSRAUIQMWHYTRV-UHFFFAOYSA-N |
ClC1=CNC(Br)=CC1=O; C1=C(NC=C(C1=O)Cl)Br ; ClC1=CNC(=CC1=O)Br |
2-bromo-5-chloropyridin-4(1H)-one |
| 15109 |  A1CW1 |
2 | C7 H3 Cl F3 N3 | InChI=1S/C7H3ClF3N3/c8-5- 1-4(7(9,10)11)2-14-3-12-1 3-6(5)14/h1-3H; XVQOKOYHCGZDND-UHFFFAOYSA-N |
c1c(cn2cnnc2c1Cl)C(F)(F)F; FC(F)(F)c1cn2 cnnc2c(Cl)c1 |
(4R)-8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine |
| 15110 |  A1CW2 |
1 | C10 H15 Cl N2 S | InChI=1S/C10H15ClN2S/c1-8 -3-2-4-13(6-8)7-9-5-12-10 (11)14-9/h5,8H,2-4,6-7H2, 1H3/t8-/m1/s1; XWHGDDRUUWBESD-MRVPVSSYSA-N |
C[C@@H]1CCCN(C1)Cc2sc(Cl)nc2; CC1CCCN(C1 )Cc2cnc(s2)Cl; C[C@@H]1CCCN(C1)Cc2cnc(s2 )Cl; C[CH]1CCCN(C1)Cc2sc(Cl)nc2; Clc1ncc (CN2CC(C)CCC2)s1 |
(3R)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylpiperidine |
| 15111 |  A1CW3 |
1 | C9 H6 F3 N3 | InChI=1S/C9H6F3N3/c10-9(1 1,12)7-1-2-8(14-5-7)15-4- 3-13-6-15/h1-6H; BEHWGLUHEGUQRD-UHFFFAOYSA-N |
FC(F)(F)c1ccc(nc1)n2ccnc2; FC(F)(F)c1cnc (cc1)n1ccnc1; c1cc(ncc1C(F)(F)F)n2ccnc2 |
(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine |
| 15112 |  A1CW5 |
2 | C11 H13 Cl N2 O | InChI=1S/C11H13ClN2O/c12- 10-5-4-9(7-13-10)8-14-6-2 -1-3-11(14)15/h4-5,7H,1-3 ,6,8H2; PTRUQENBDHGVDI-UHFFFAOYSA-N |
c1cc(ncc1CN2CCCCC2=O)Cl; Clc1ccc(CN2CCCC C2=O)cn1; Clc1ccc(cn1)CN1CCCCC1=O |
1-[(6-chloropyridin-3-yl)methyl]piperidin-2-one |
| 15113 |  A1CW6 |
1 | C13 H10 N2 O | InChI=1S/C13H10N2O/c1-10( 16)11-4-5-12(9-14)13(8-11 )15-6-2-3-7-15/h2-8H,1H3; RBOYSPLQMRWUAS-UHFFFAOYSA-N |
CC(=O)c1ccc(C#N)c(c1)n1cccc1; CC(=O)c1cc c(c(c1)n2cccc2)C#N; CC(=O)c1ccc(C#N)c(c1 )n2cccc2 |
4-acetyl-2-(1H-pyrrol-1-yl)benzonitrile |
| 15114 |  A1CW7 |
1 | C8 H9 N O2 | InChI=1S/C8H9NO2/c10-8-6- 3-5-11-7(6)2-1-4-9-8/h3,5 H,1-2,4H2,(H,9,10); FZCXAFBKFNEFCQ-UHFFFAOYSA-N |
O=C1NCCCc2occc12; c1coc2c1C(=O)NCCC2 | 5,6,7,8-tetrahydro-4H-furo[3,2-c]azepin-4-one |
| 15115 |  A1CW8 |
1 | C9 H10 N2 S | InChI=1S/C9H10N2S/c1-6-3- 4-7-8(5-6)12-9(10)11(7)2/ h3-5,10H,1-2H3/b10-9+; PMACKGVXHRBIPC-MDZDMXLPSA-N |
Cc1ccc2c(c1)SC(=N)N2C; [H]/N=C/1\N(c2ccc (cc2S1)C)C; CN1C(=N)Sc2cc(C)ccc12 |
(2E)-3,6-dimethyl-1,3-benzothiazol-2(3H)-imine |
| 15116 |  A1CW9 |
1 | C10 H14 N2 O2 | InChI=1S/C10H14N2O2/c13-1 0(9-4-1-5-11-9)12-7-8-3-2 -6-14-8/h1,4-5,8,11H,2-3, 6-7H2,(H,12,13)/t8-/m1/s1; LKMLGZWPERYNLQ-MRVPVSSYSA-N |
c1cc([nH]c1)C(=O)NC[C@H]2CCCO2; c1cc([nH ]c1)C(=O)NCC2CCCO2; O=C(NC[CH]1CCCO1)c2[ nH]ccc2; O=C(NC[C@H]1CCCO1)c2[nH]ccc2; O =C(NCC1CCCO1)c1ccc[NH]1 |
N-{[(2R)-oxolan-2-yl]methyl}-1H-pyrrole-2-carboxamide |
| 15117 |  A1CWA |
0 | C13 H17 N8 O6 P | InChI=1S/C13H17N8O6P/c14- 12-18-10-9(11(23)19-12)17 -5-20(10)8-3-6(22)7(27-8) 4-26-28(24,25)21-2-1-16-1 3(21)15/h1-2,5-8,22H,3-4H 2,(H2,15,16)(H,24,25)(H3, 14,18,19,23)/t6-,7+,8+/m0 /s1; UDDIXTSYRLRNQW-XLPZGREQSA-N |
Nc1nccn1P(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C( N)NC2=O; c1cn(c(n1)N)P(=O)(O)OCC2C(CC(O2 )n3cnc4c3N=C(NC4=O)N)O; c1cn(c(n1)N)P(=O )(O)OC[C@@H]2[C@H](C[C@@H](O2)n3cnc4c3N= C(NC4=O)N)O; NC1=Nc2n(cnc2C(=O)N1)[C@H]3 C[C@H](O)[C@@H](CO[P](O)(=O)n4ccnc4N)O3; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH]( CO[P](O)(=O)n4ccnc4N)O3 |
(2-azanylimidazol-1-yl)-[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]phosphinic acid; 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine |
| 15118 |  A1CWB |
1 | C18 H17 Cl F2 N6 O2 S | InChI=1S/C18H17ClF2N6O2S/ c1-9-15(30(28,29)27-18-25 -10(2)17(19)11(3)26-18)4- 5-16(24-9)23-6-12-13(20)7 -22-8-14(12)21/h4-5,7-8H, 6H2,1-3H3,(H,23,24)(H,25, 26,27); DGHNRLUPLTVNCV-UHFFFAOYSA-N |
O=S(=O)(Nc1nc(C)c(Cl)c(C)n1)c1ccc(NCc2c( F)cncc2F)nc1C; Cc1c(ccc(n1)NCc2c(cncc2F) F)S(=O)(=O)Nc3nc(c(c(n3)C)Cl)C; Cc1nc(N[ S](=O)(=O)c2ccc(NCc3c(F)cncc3F)nc2C)nc(C )c1Cl |
N-(5-chloro-4,6-dimethylpyrimidin-2-yl)-6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-2-methylpyridine-3-sulfonamide |
| 15119 |  A1CWC |
1 | C14 H14 O2 | InChI=1S/C14H14O2/c15-10- 12-5-4-6-13(9-12)11-16-14 -7-2-1-3-8-14/h1-9,15H,10 -11H2; ZKZSJQJXKWKOJY-UHFFFAOYSA-N |
OCc1cccc(COc2ccccc2)c1; c1ccc(cc1)OCc2cc cc(c2)CO |
[3-(phenoxymethyl)phenyl]methanol |
| 15120 |  A1CWD |
1 | C15 H17 N3 S | InChI=1S/C15H17N3S/c1-12- 6-2-3-8-14(12)18-15(19)17 -11-9-13-7-4-5-10-16-13/h 2-8,10H,9,11H2,1H3,(H2,17 ,18,19); JVGVRAXBIGSPJW-UHFFFAOYSA-N |
Cc1ccccc1NC(=S)NCCc2ccccn2; Cc1ccccc1NC( =S)NCCc1ccccn1 |
N-(2-methylphenyl)-N'-[2-(pyridin-2-yl)ethyl]thiourea |
| 15121 |  A1CWE |
1 | C9 H10 F2 N2 S | InChI=1S/C9H10F2N2S/c1-13 (2)9(14)12-8-4-3-6(10)5-7 (8)11/h3-5H,1-2H3,(H,12,1 4); PSWHKZXMZXDARK-UHFFFAOYSA-N |
CN(C)C(=S)Nc1ccc(cc1F)F; S=C(Nc1ccc(F)cc 1F)N(C)C; CN(C)C(=S)Nc1ccc(F)cc1F |
N'-(2,4-difluorophenyl)-N,N-dimethylthiourea |
| 15122 |  A1CWF |
1 | C7 H8 N2 O | InChI=1S/C7H8N2O/c8-6-3-1 -5(2-4-6)7(9)10/h1-4H,8H2 ,(H2,9,10); QIKYZXDTTPVVAC-UHFFFAOYSA-N |
O=C(N)c1ccc(N)cc1; NC(=O)c1ccc(N)cc1; c1 cc(ccc1C(=O)N)N |
4-aminobenzamide |
| 15123 |  A1CWG |
2 | C11 H15 N O2 | InChI=1S/C11H15NO2/c13-9- 10-2-1-3-11(8-10)12-4-6-1 4-7-5-12/h1-3,8,13H,4-7,9 H2; MXBVALXTJZMIJB-UHFFFAOYSA-N |
c1cc(cc(c1)N2CCOCC2)CO; OCc1cccc(c1)N2CC OCC2; OCc1cc(ccc1)N1CCOCC1 |
[3-(morpholin-4-yl)phenyl]methanol |
| 15124 |  A1CWH |
1 | C10 H11 N3 | InChI=1S/C10H11N3/c1-8-12 -6-7-13(8)10-4-2-9(11)3-5 -10/h2-7H,11H2,1H3; IEZCMVRWKNEHJB-UHFFFAOYSA-N |
Cc1nccn1c2ccc(cc2)N; Nc1ccc(cc1)n1ccnc1C ; Cc1nccn1c2ccc(N)cc2 |
4-(2-methyl-1H-imidazol-1-yl)aniline |
| 15125 |  A1CWI |
1 | C12 H13 N3 | InChI=1S/C12H13N3/c1-10-4 -6-14-12(7-10)15-9-11-3-2 -5-13-8-11/h2-8H,9H2,1H3, (H,14,15); HSSNXQNQTXKAPY-UHFFFAOYSA-N |
Cc1ccnc(c1)NCc2cccnc2; Cc1ccnc(NCc2cccnc 2)c1 |
4-methyl-N-[(pyridin-3-yl)methyl]pyridin-2-amine |
| 15126 |  A1CWJ |
1 | C10 H11 N O2 | InChI=1S/C10H11NO2/c1-7-6 -10(12)11-8-4-2-3-5-9(8)1 3-7/h2-5,7H,6H2,1H3,(H,11 ,12)/t7-/m0/s1; ZPCZQESAHAVOLW-ZETCQYMHSA-N |
CC1CC(=O)Nc2ccccc2O1; C[C@H]1CC(=O)Nc2cc ccc2O1; C[CH]1CC(=O)Nc2ccccc2O1; O=C1Nc2 ccccc2OC(C)C1 |
(2S)-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one |
| 15127 |  A1CWK |
1 | C13 H15 Cl N2 | InChI=1S/C13H15ClN2/c1-9- 8-16(11-4-5-15-7-11)13-3- 2-10(14)6-12(9)13/h2-3,6, 8,11,15H,4-5,7H2,1H3/t11- /m1/s1; RHUVUFHZPQAPAH-LLVKDONJSA-N |
Cc1cn(c2c1cc(cc2)Cl)C3CCNC3; Cc1cn(c2c1c c(cc2)Cl)[C@@H]3CCNC3; Clc1cc2c(cc1)n(cc 2C)C1CCNC1; Cc1cn([CH]2CCNC2)c3ccc(Cl)cc 13; Cc1cn([C@@H]2CCNC2)c3ccc(Cl)cc13 |
5-chloro-3-methyl-1-[(3R)-pyrrolidin-3-yl]-1H-indole |
| 15128 |  A1CWL |
1 | C9 H8 N2 O | InChI=1S/C9H8N2O/c12-9-6- 10-11(7-9)8-4-2-1-3-5-8/h 1-7,12H; PAIIFXHEHLRVNC-UHFFFAOYSA-N |
c1ccc(cc1)n2cc(cn2)O; Oc1cnn(c1)c2ccccc2 ; Oc1cn(nc1)c1ccccc1 |
1-phenyl-1H-pyrazol-4-ol |
| 15129 |  A1CWM |
4 | C17 H18 N2 O | InChI=1S/C17H18N2O/c18-15 -12-19(16-9-5-4-8-14(15)1 6)17(20)11-10-13-6-2-1-3- 7-13/h1-9,15H,10-12,18H2/ t15-/m1/s1; WGPNFVQWZHRMGQ-OAHLLOKOSA-N |
NC1CN(c2ccccc21)C(=O)CCc1ccccc1; c1ccc(c c1)CCC(=O)N2C[C@H](c3c2cccc3)N; c1ccc(cc 1)CCC(=O)N2CC(c3c2cccc3)N; N[CH]1CN(C(=O )CCc2ccccc2)c3ccccc13; N[C@@H]1CN(C(=O)C Cc2ccccc2)c3ccccc13 |
1-[(3S)-3-amino-2,3-dihydro-1H-indol-1-yl]-3-phenylpropan-1-one |
| 15130 |  A1CWN |
1 | C6 H9 N3 S2 | InChI=1S/C6H9N3S2/c7-9-6( 10)8-4-5-2-1-3-11-5/h1-3H ,4,7H2,(H2,8,9,10); NBBHGLQLAPFLFP-UHFFFAOYSA-N |
S=C(NCc1cccs1)NN; c1cc(sc1)CNC(=S)NN; NN C(=S)NCc1sccc1 |
N-[(thiophen-2-yl)methyl]hydrazinecarbothioamide |
| 15131 |  A1CWO |
1 | C9 H11 N3 | InChI=1S/C9H11N3/c1-2-10- 9-11-7-5-3-4-6-8(7)12-9/h 3-6H,2H2,1H3,(H2,10,11,12 ); OWKRGCMCKQWDHJ-UHFFFAOYSA-N |
CCNc1[nH]c2ccccc2n1; CCNc1nc2ccccc2[NH]1 | N-ethyl-1H-1,3-benzimidazol-2-amine |
| 15132 |  A1CWP |
1 | C7 H7 Br N2 O | InChI=1S/C7H7BrN2O/c1-9-7 (11)6-3-2-5(8)4-10-6/h2-4 H,1H3,(H,9,11); OHYCXPXWHPWYFX-UHFFFAOYSA-N |
CNC(=O)c1ccc(Br)cn1; CNC(=O)c1ccc(cn1)Br ; Brc1cnc(cc1)C(=O)NC |
5-bromo-N-methylpyridine-2-carboxamide |
| 15133 |  A1CWR |
2 | C9 H16 O8 | InChI=1S/C9H16O8/c1-16-9( 8(14)15)2-4(11)6(13)7(17- 9)5(12)3-10/h4-7,10-13H,2 -3H2,1H3,(H,14,15)/t4-,5- ,6-,7-,9+/m1/s1; GDKRIKNQNVVRDO-BTPGUECKSA-N |
COC1(CC(O)C(O)C(O1)C(O)CO)C(=O)O; COC1(C C(C(C(O1)C(CO)O)O)O)C(=O)O; CO[C@]1(C[C@ @H](O)[C@@H](O)[C@H](O1)[C@H](O)CO)C(O)= O; CO[C]1(C[CH](O)[CH](O)[CH](O1)[CH](O) CO)C(O)=O; CO[C@]1(C[C@H]([C@H]([C@H](O1 )[C@@H](CO)O)O)O)C(=O)O |
methyl 3-deoxy-beta-D-manno-oct-2-ulopyranosidonic acid |
| 15134 |  A1CWT |
1 | C10 H11 N O2 | InChI=1S/C10H11NO2/c12-10 -8-13-7-6-11(10)9-4-2-1-3 -5-9/h1-5H,6-8H2; SIWXCJHUZAEIAE-UHFFFAOYSA-N |
c1ccc(cc1)N2CCOCC2=O; O=C1COCCN1c2ccccc2 ; O=C1COCCN1c1ccccc1 |
4-phenylmorpholin-3-one |
| 15135 |  A1CWU |
2 | C11 H13 N3 | InChI=1S/C11H13N3/c12-9-1 0-1-3-11(4-2-10)14-7-5-13 -6-8-14/h1-4,13H,5-8H2; DJJNYEXRPRQXPD-UHFFFAOYSA-N |
N#Cc1ccc(cc1)N2CCNCC2; c1cc(ccc1C#N)N2CC NCC2; N#Cc1ccc(cc1)N1CCNCC1 |
4-(piperazin-1-yl)benzonitrile |
| 15136 |  A1CWV |
1 | C8 H12 N2 O2 | InChI=1S/C8H12N2O2/c11-6- 8(10-7(12)9-6)4-2-1-3-5-8 /h1-5H2,(H2,9,10,11,12); NERNEXMEYQFFHU-UHFFFAOYSA-N |
C1CCC2(CC1)C(=O)NC(=O)N2; O=C1NC(=O)NC21 CCCCC2; O=C1NC(=O)C2(CCCCC2)N1 |
1,3-diazaspiro[4.5]decane-2,4-dione |
| 15137 |  A1CWW |
2 | C10 H11 N3 O | InChI=1S/C10H11N3O/c14-10 -8-4-2-6-13(8)9-7(12-10)3 -1-5-11-9/h1,3,5,8H,2,4,6 H2,(H,12,14)/t8-/m0/s1; PGPPFIDIJMNDBJ-QMMMGPOBSA-N |
O=C1Nc2cccnc2N3CCC[C@@H]13; c1cc2c(nc1)N 3CCCC3C(=O)N2; c1cc2c(nc1)N3CCC[C@H]3C(= O)N2; O=C1Nc2cccnc2N3CCC[CH]13; O=C1Nc2c ccnc2N2CCCC12 |
(6aS,10R)-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-one |
| 15138 |  A1CWZ |
1 | C10 H11 N O2 S | InChI=1S/C10H11NO2S/c1-13 -9-4-2-8(3-5-9)11-7-14-6- 10(11)12/h2-5H,6-7H2,1H3; YYEZZYULWDLVFZ-UHFFFAOYSA-N |
COc1ccc(cc1)N2CSCC2=O; COc1ccc(cc1)N1CSC C1=O |
3-(4-methoxyphenyl)-1,3-thiazolidin-4-one |
| 15139 |  A1CX0 |
1 | C17 H19 F N4 O | InChI=1S/C17H19FN4O/c1-10 (2)15(8-23)22-17-12-7-14( 21-16(12)19-9-20-17)11-5- 3-4-6-13(11)18/h3-7,9-10, 15,23H,8H2,1-2H3,(H2,19,2 0,21,22)/t15-/m0/s1; LNTMWHXTLBBVJU-HNNXBMFYSA-N |
CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3ccccc3 F; CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3ccccc3 F; CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cc ccc3F; CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1cc ccc1F; CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc12) c3ccccc3F |
(2R)-2-{[(6P)-6-(2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-3-methylbutan-1-ol |
| 15140 |  A1CX1 |
1 | C16 H19 N7 O | InChI=1S/C16H19N7O/c1-9(2 )14(7-24)21-16-10-4-12(20 -15(10)18-8-19-16)11-6-23 (3)22-13(11)5-17/h4,6,8-9 ,14,24H,7H2,1-3H3,(H2,18, 19,20,21)/t14-/m0/s1; LHSBHWQHACEBNN-AWEZNQCLSA-N |
N#Cc1nn(C)cc1c1cc2c(NC(CO)C(C)C)ncnc2[NH ]1; CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3c n(nc3C#N)C; CC(C)[CH](CO)Nc1ncnc2[nH]c(c c12)c3cn(C)nc3C#N; CC(C)C(CO)Nc1c2cc([nH ]c2ncn1)c3cn(nc3C#N)C; CC(C)[C@H](CO)Nc1 ncnc2[nH]c(cc12)c3cn(C)nc3C#N |
(4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-3-carbonitrile |
| 15141 |  A1CX2 |
1 | C17 H16 F2 N6 O3 | InChI=1S/C17H16F2N6O3/c1- 17(2)6-28-16(27)25(17)24- 14-10-8-4-3-5-9(22-15(26) 12(18)19)11(8)23-13(10)20 -7-21-14/h3-5,7,12H,6H2,1 -2H3,(H,22,26)(H2,20,21,2 3,24); PTHRQERZTZIPHI-UHFFFAOYSA-N |
CC1(C)COC(=O)N1Nc1ncnc2[NH]c3c(cccc3NC(= O)C(F)F)c12; CC1(COC(=O)N1Nc2c3c4cccc(c4 [nH]c3ncn2)NC(=O)C(F)F)C; CC1(C)COC(=O)N 1Nc2ncnc3[nH]c4c(NC(=O)C(F)F)cccc4c23 |
N-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}-2,2-difluoroacetamide |
| 15142 |  A1CX3 |
1 | C16 H16 N8 O2 | InChI=1S/C16H16N8O2/c1-16 (2)7-26-15(25)24(16)22-14 -9-4-11(21-13(9)18-8-19-1 4)10-6-20-23(3)12(10)5-17 /h4,6,8H,7H2,1-3H3,(H2,18 ,19,21,22); QOWUTZHTGJXGLX-UHFFFAOYSA-N |
Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC4(C)C)c3c 2)c1C#N; CC1(COC(=O)N1Nc2c3cc([nH]c3ncn2 )c4cnn(c4C#N)C)C; CC1(C)COC(=O)N1Nc1ncnc 2[NH]c(cc12)c1cnn(C)c1C#N |
(4M)-4-{4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile |
| 15143 |  A1CX4 |
1 | C18 H18 N8 O3 | InChI=1S/C18H18N8O3/c1-25 -14(7-19)12(8-22-25)13-6- 11-15(23-13)20-10-21-16(1 1)24-26-17(27)29-9-18(26) 2-4-28-5-3-18/h6,8,10H,2- 5,9H2,1H3,(H2,20,21,23,24 ); KDKJKFKDWOVGNE-UHFFFAOYSA-N |
Cn1c(c(cn1)c2cc3c([nH]2)ncnc3NN4C(=O)OCC 45CCOCC5)C#N; Cn1ncc(c2[nH]c3ncnc(NN4C(= O)OCC45CCOCC5)c3c2)c1C#N; N#Cc1n(C)ncc1c 1cc2c([NH]1)ncnc2NN1C(=O)OCC21CCOCC2 |
(4M)-1-methyl-4-{4-[(2-oxo-3,8-dioxa-1-azaspiro[4.5]decan-1-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1H-pyrazole-5-carbonitrile |
| 15144 |  A1CX5 |
1 | C19 H21 N5 O | InChI=1S/C19H21N5O/c1-19( 2)9-8-14(25)24(19)23-18-1 5-13-5-3-4-12(11-6-7-11)1 6(13)22-17(15)20-10-21-18 /h3-5,10-11H,6-9H2,1-2H3, (H2,20,21,22,23); WHFVEMQFBWROQI-UHFFFAOYSA-N |
CC1(C)CCC(=O)N1Nc2ncnc3[nH]c4c(cccc4c23) C5CC5; O=C1CCC(C)(C)N1Nc1ncnc2[NH]c3c(cc cc3C3CC3)c12; CC1(CCC(=O)N1Nc2c3c4cccc(c 4[nH]c3ncn2)C5CC5)C |
1-[(8-cyclopropyl-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one |
| 15145 |  A1CX6 |
1 | C19 H21 N9 O4 S | InChI=1S/C19H21N9O4S/c1-2 6-15(8-20)13(9-23-26)14-7 -12-16(24-14)21-11-22-17( 12)25-28-18(29)32-10-19(2 8)3-5-27(6-4-19)33(2,30)3 1/h7,9,11H,3-6,10H2,1-2H3 ,(H2,21,22,24,25); HLVQNOZEPMHQPC-UHFFFAOYSA-N |
Cn1ncc(c2[nH]c3ncnc(NN4C(=O)OCC45CCN(CC5 )[S](C)(=O)=O)c3c2)c1C#N; N#Cc1n(C)ncc1c 1cc2c([NH]1)ncnc2NN1C(=O)OCC21CCN(CC2)S( C)(=O)=O; Cn1c(c(cn1)c2cc3c([nH]2)ncnc3N N4C(=O)OCC45CCN(CC5)S(=O)(=O)C)C#N |
(4M)-4-(4-{[8-(methanesulfonyl)-2-oxo-3-oxa-1,8-diazaspiro[4.5]decan-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile |
| 15146 |  A1CX7 |
1 | C16 H14 F3 N5 O2 | InChI=1S/C16H14F3N5O2/c1- 15(2)6-26-14(25)24(15)23- 13-10-8-4-3-5-9(16(17,18) 19)11(8)22-12(10)20-7-21- 13/h3-5,7H,6H2,1-2H3,(H2, 20,21,22,23); UNLFVZOIQHHCET-UHFFFAOYSA-N |
CC1(COC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)C( F)(F)F)C; CC1(C)COC(=O)N1Nc2ncnc3[nH]c4c (cccc4C(F)(F)F)c23; CC1(C)COC(=O)N1Nc1nc nc2[NH]c3c(cccc3C(F)(F)F)c12 |
4,4-dimethyl-3-{[8-(trifluoromethyl)-9H-pyrimido[4,5-b]indol-4-yl]amino}-1,3-oxazolidin-2-one |
| 15147 |  A1CX8 |
3 | C8 H17 N O | InChI=1S/C8H17NO/c1-7-3-2 -4-8(7)9-5-6-10/h7-10H,2- 6H2,1H3/t7-,8-/m1/s1; VZZLRLOGBIIRNV-HTQZYQBOSA-N |
C[CH]1CCC[CH]1NCCO; C[C@@H]1CCC[C@H]1NCC O; CC1CCCC1NCCO; OCCNC1CCCC1C |
2-{[(1R,2R)-2-methylcyclopentyl]amino}ethan-1-ol |
| 15148 |  A1CX9 CHEMBL4645737 |
1 | C17 H16 N4 | InChI=1S/C17H16N4/c1-21(2 )16-12-15(13-8-10-18-11-9 -13)17(20-19-16)14-6-4-3- 5-7-14/h3-12H,1-2H3; JZNLARIEJUCAJO-UHFFFAOYSA-N |
CN(C)c1cc(c(nn1)c2ccccc2)c3ccncc3; CN(C) c1cc(c2ccncc2)c(nn1)c3ccccc3; CN(C)c1cc( c(nn1)c1ccccc1)c1ccncc1 |
N,N-dimethyl-6-phenyl-5-(pyridin-4-yl)pyridazin-3-amine |
| 15149 |  A1CXA |
1 | C10 H19 N O2 S | InChI=1S/C10H19NO2S/c12-1 4(13)7-5-11(6-8-14)9-10-3 -1-2-4-10/h10H,1-9H2; HRAPZHPUUXWUTA-UHFFFAOYSA-N |
O=[S]1(=O)CCN(CC1)CC2CCCC2; C1CCC(C1)CN2 CCS(=O)(=O)CC2; O=S1(=O)CCN(CC2CCCC2)CC1 |
4-(cyclopentylmethyl)-1lambda~6~-thiomorpholine-1,1-dione |
| 15150 |  A1CXB |
1 | C10 H10 N2 O | InChI=1S/C10H10N2O/c1-13- 9-4-2-8(3-5-9)10-6-11-7-1 2-10/h2-7H,1H3,(H,11,12); WQROVAMZYXDXAB-UHFFFAOYSA-N |
COc1ccc(cc1)c2c[nH]cn2; COc1ccc(cc1)c1c[ NH]cn1 |
4-(4-methoxyphenyl)-1H-imidazole |
| 15151 |  A1CXC |
1 | C11 H11 N O3 | InChI=1S/C11H11NO3/c1-15- 10(13)6-9-7-4-2-3-5-8(7)1 1(14)12-9/h2-5,9H,6H2,1H3 ,(H,12,14)/t9-/m0/s1; VQDYXVYRKPNTGL-VIFPVBQESA-N |
COC(=O)C[C@@H]1NC(=O)c2ccccc12; COC(=O)C C1c2ccccc2C(=O)N1; O=C(OC)CC1NC(=O)c2ccc cc21; COC(=O)C[CH]1NC(=O)c2ccccc12; COC( =O)C[C@H]1c2ccccc2C(=O)N1 |
methyl [(1S)-3-oxo-2,3-dihydro-1H-isoindol-1-yl]acetate |
| 15152 |  A1CXD |
1 | C12 H16 N2 O2 | InChI=1S/C12H16N2O2/c1-10 (15)13-11-4-2-3-5-12(11)1 4-6-8-16-9-7-14/h2-5H,6-9 H2,1H3,(H,13,15); SDWSFRAJHDWPOA-UHFFFAOYSA-N |
CC(=O)Nc1ccccc1N1CCOCC1; CC(=O)Nc1ccccc1 N2CCOCC2 |
N-[2-(morpholin-4-yl)phenyl]acetamide |
| 15153 |  A1CXE |
1 | C9 H7 Cl2 N O2 S | InChI=1S/C9H7Cl2NO2S/c10- 7-2-1-6(3-8(7)11)12-5-15( 14)4-9(12)13/h1-3H,4-5H2/ t15-/m1/s1; DEPGXMLIHZXPHL-OAHLLOKOSA-N |
c1cc(c(cc1N2C[S@](=O)CC2=O)Cl)Cl; c1cc(c (cc1N2CS(=O)CC2=O)Cl)Cl; Clc1ccc(cc1Cl)N 2C[S](=O)CC2=O; Clc1ccc(cc1Cl)N2C[S@](=O )CC2=O; O=S1CC(=O)N(C1)c1cc(Cl)c(Cl)cc1 |
(1R)-3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolidine-1,4-dione |
| 15154 |  A1CXF |
4 | C29 H38 N4 O3 S | InChI=1S/C29H38N4O3S/c1-2 9(2)25(30-16-17-37-29)28( 36)31-19-20-10-9-13-22(18 -20)26(34)33-24(21-11-5-3 -6-12-21)27(35)32-23-14-7 -4-8-15-23/h4,7-10,13-15, 18,21,24-25,30H,3,5-6,11- 12,16-17,19H2,1-2H3,(H,31 ,36)(H,32,35)(H,33,34)/t2 4-,25-/m0/s1; FFWQWZAOWMZJCB-DQEYMECFSA-N |
CC1([C@@H](NCCS1)C(=O)NCc2cccc(c2)C(=O)N [C@@H](C3CCCCC3)C(=O)Nc4ccccc4)C; CC1(C) SCCN[C@H]1C(=O)NCc2cccc(c2)C(=O)N[C@@H]( C3CCCCC3)C(=O)Nc4ccccc4; CC1(C)SCCNC1C(= O)NCc1cccc(c1)C(=O)NC(C(=O)Nc1ccccc1)C1C CCCC1; CC1(C(NCCS1)C(=O)NCc2cccc(c2)C(=O )NC(C3CCCCC3)C(=O)Nc4ccccc4)C; CC1(C)SCC N[CH]1C(=O)NCc2cccc(c2)C(=O)N[CH](C3CCCC C3)C(=O)Nc4ccccc4 |
(3S)-N-[(3-{[(1S)-2-anilino-1-cyclohexyl-2-oxoethyl]carbamoyl}phenyl)methyl]-2,2-dimethylthiomorpholine-3-carboxamide |
| 15155 |  A1CXG |
2 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)9-6-12(7-11-9)8-4-2-1 -3-5-8/h1-7H,(H,13,14); DBYLAWFMMVZTRR-UHFFFAOYSA-N |
c1ccc(cc1)n2cc(nc2)C(=O)O; OC(=O)c1cn(cn 1)c2ccccc2; O=C(O)c1cn(cn1)c1ccccc1 |
1-phenyl-1H-imidazole-4-carboxylic acid |
| 15156 |  A1CXH |
2 | C23 H35 N O4 | InChI=1S/C23H35NO4/c1-4-7 -16-14(2)12-15-8-5-10-23( 3,19(15)17(16)13-26)20-21 (27)18(9-6-11-25)24-22(20 )28/h12-13,15-20,25H,4-11 H2,1-3H3,(H,24,28)/t15-,1 6+,17-,18-,19-,20+,23-/m1 /s1; TXBIWUNNTHOXGR-MOYIJAONSA-N |
CCC[C@@H]1[C@@H](C=O)[C@H]2[C@H](CCC[C@@ ]2(C)[C@@H]3C(=O)N[C@H](CCCO)C3=O)C=C1C; CCC[C@@H]1[C@H]([C@H]2[C@H](CCC[C@@]2(C )[C@H]3C(=O)[C@H](NC3=O)CCCO)C=C1C)C=O; CCCC1C(C2C(CCCC2(C)C3C(=O)C(NC3=O)CCCO)C =C1C)C=O; CCC[CH]1[CH](C=O)[CH]2[CH](CCC [C]2(C)[CH]3C(=O)N[CH](CCCO)C3=O)C=C1C; OCCCC1NC(=O)C(C1=O)C1(C)CCCC2C=C(C)C(CCC )C(C=O)C21 |
(1R,2R,4aR,8R,8aR)-8-[(3S,5R)-5-(3-hydroxypropyl)-2,4-dioxopyrrolidin-3-yl]-3,8-dimethyl-2-propyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde |
| 15157 |  A1CXJ |
1 | C18 H16 F3 N3 O3 S | InChI=1S/C18H16F3N3O3S/c1 -22-28(25,26)15-7-8-17(16 (9-15)12-10-23-24(2)11-12 )27-14-5-3-13(4-6-14)18(1 9,20)21/h3-11,22H,1-2H3; OVXUIMGGHDTEDI-UHFFFAOYSA-N |
CNS(=O)(=O)c1ccc(c(c1)c2cnn(c2)C)Oc3ccc( cc3)C(F)(F)F; CN[S](=O)(=O)c1ccc(Oc2ccc( cc2)C(F)(F)F)c(c1)c3cnn(C)c3; Cn1cc(cn1) c1cc(ccc1Oc1ccc(cc1)C(F)(F)F)S(=O)(=O)NC |
(3P)-N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-4-[4-(trifluoromethyl)phenoxy]benzene-1-sulfonamide |
| 15158 |  A1CXP |
1 | C16 H13 N O6 S | InChI=1S/C16H13NO6S/c1-22 -12-4-8-14(6-11(12)20)24- 16(17-8)15(21)7-3-10(19)1 3(23-2)5-9(7)18/h3-6,18-2 0H,1-2H3; GRVVGHXFALPCPB-UHFFFAOYSA-N |
COc1cc2c(cc1O)sc(n2)C(=O)c3cc(c(cc3O)OC) O; COc1cc(O)c(cc1O)C(=O)c2sc3cc(O)c(OC)c c3n2; Oc1cc(c(O)cc1OC)C(=O)c1nc2cc(OC)c( O)cc2s1 |
(2,5-dihydroxy-4-methoxyphenyl)(6-hydroxy-5-methoxy-1,3-benzothiazol-2-yl)methanone |
| 15159 |  A1CXR |
1 | C15 H18 N4 O S | InChI=1S/C15H18N4OS/c1-9( 2)12(7-20)19-15-10-6-11(1 3-4-3-5-21-13)18-14(10)16 -8-17-15/h3-6,8-9,12,20H, 7H2,1-2H3,(H2,16,17,18,19 )/t12-/m0/s1; CIWCMSZNZAATFB-LBPRGKRZSA-N |
CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cccs3; CC (C)C(CO)Nc1ncnc2[NH]c(cc21)c1cccs1; CC(C )[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccs3; CC (C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3sccc3; CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3sccc3 |
(2R)-3-methyl-2-{[(6P)-6-(thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15160 |  A1CXS |
1 | C15 H19 N5 O | InChI=1S/C15H19N5O/c1-9(2 )13(7-21)20-15-10-6-12(11 -4-3-5-16-11)19-14(10)17- 8-18-15/h3-6,8-9,13,16,21 H,7H2,1-2H3,(H2,17,18,19, 20)/t13-/m0/s1; PAEVIRXBHNFVGK-ZDUSSCGKSA-N |
CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3ccc[nH]3; CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccc[ nH]3; CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3 [nH]ccc3; CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c 1ccc[NH]1; CC(C)[C@H](CO)Nc1ncnc2[nH]c(c c12)c3[nH]ccc3 |
(2R)-3-methyl-2-{[(6M)-6-(1H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15161 |  A1CXT |
1 | C17 H18 N8 O | InChI=1S/C17H18N8O/c1-17( 2)5-4-14(26)25(17)23-16-1 0-6-12(22-15(10)19-9-20-1 6)11-8-21-24(3)13(11)7-18 /h6,8-9H,4-5H2,1-3H3,(H2, 19,20,22,23); HLTQWVQKXBCSKK-UHFFFAOYSA-N |
Cn1ncc(c2[nH]c3ncnc(NN4C(=O)CCC4(C)C)c3c 2)c1C#N; N#Cc1n(C)ncc1c1cc2c(ncnc2[NH]1) NN1C(=O)CCC1(C)C; CC1(CCC(=O)N1Nc2c3cc([ nH]c3ncn2)c4cnn(c4C#N)C)C |
(4M)-4-{4-[(2,2-dimethyl-5-oxopyrrolidin-1-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-1-methyl-1H-pyrazole-5-carbonitrile |
| 15162 |  A1CXU |
1 | C16 H19 N7 O | InChI=1S/C16H19N7O/c1-9(2 )13(7-24)22-16-10-4-12(21 -15(10)18-8-19-16)11-6-20 -23(3)14(11)5-17/h4,6,8-9 ,13,24H,7H2,1-3H3,(H2,18, 19,21,22)/t13-/m0/s1; VIGHDURPCXYDGM-ZDUSSCGKSA-N |
Cn1ncc(c2[NH]c3ncnc(NC(CO)C(C)C)c3c2)c1C #N; CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3c nn(C)c3C#N; CC(C)C(CO)Nc1c2cc([nH]c2ncn1 )c3cnn(c3C#N)C; CC(C)[C@H](CO)Nc1c2cc([n H]c2ncn1)c3cnn(c3C#N)C; CC(C)[CH](CO)Nc1 ncnc2[nH]c(cc12)c3cnn(C)c3C#N |
(4P)-4-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile |
| 15163 |  A1CXV |
1 | C14 H17 N5 O S | InChI=1S/C14H17N5OS/c1-8( 2)11(6-20)19-14-9-5-10(12 -3-4-17-21-12)18-13(9)15- 7-16-14/h3-5,7-8,11,20H,6 H2,1-2H3,(H2,15,16,18,19) /t11-/m0/s1; NTKSDHKEQWTMSF-NSHDSACASA-N |
CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1ccns1; CC (C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3sncc3; C C(C)C(CO)Nc1c2cc([nH]c2ncn1)c3ccns3; CC( C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3sncc3; C C(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccns3 |
(2R)-3-methyl-2-{[(6P)-6-(1,2-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15164 |  A1CXW |
1 | C15 H20 N6 O | InChI=1S/C15H20N6O/c1-9(2 )13(7-22)20-15-11-4-12(10 -5-18-21(3)6-10)19-14(11) 16-8-17-15/h4-6,8-9,13,22 H,7H2,1-3H3,(H2,16,17,19, 20)/t13-/m0/s1; UOFWLGNVGBZESA-ZDUSSCGKSA-N |
CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3cnn(C) c3; Cn1cc(cn1)c1[NH]c2ncnc(NC(CO)C(C)C)c 2c1; CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cnn( c3)C; CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c 3cnn(c3)C; CC(C)[C@H](CO)Nc1ncnc2[nH]c(c c12)c3cnn(C)c3 |
(2R)-3-methyl-2-{[(6P)-6-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15165 |  A1CXX |
1 | C14 H18 N6 O | InChI=1S/C14H18N6O/c1-8(2 )12(6-21)20-14-10-3-11(9- 4-17-18-5-9)19-13(10)15-7 -16-14/h3-5,7-8,12,21H,6H 2,1-2H3,(H,17,18)(H2,15,1 6,19,20)/t12-/m0/s1; RCGRHPHIFCKTRO-LBPRGKRZSA-N |
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3c[nH] nc3; CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3 c[nH]nc3; CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c 3c[nH]nc3; CC(C)[CH](CO)Nc1ncnc2[nH]c(cc 12)c3c[nH]nc3; CC(C)C(CO)Nc1ncnc2[NH]c(c c21)c1c[NH]nc1 |
(2R)-3-methyl-2-{[(6P)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15166 |  A1CXY |
1 | C15 H18 N6 O | InChI=1S/C15H18N6O/c1-9(2 )13(6-22)21-15-11-3-12(10 -4-16-7-17-5-10)20-14(11) 18-8-19-15/h3-5,7-9,13,22 H,6H2,1-2H3,(H2,18,19,20, 21)/t13-/m0/s1; WEZNGUUEIDNLQF-ZDUSSCGKSA-N |
CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc12)c3cncnc 3; CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1cncnc1 ; CC(C)C(CO)Nc1c2cc([nH]c2ncn1)c3cncnc3; CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cncn c3; CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3cn cnc3 |
(2R)-3-methyl-2-{[6-(pyrimidin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}butan-1-ol |
| 15167 |  A1CXZ |
1 | C16 H17 N5 O S | InChI=1S/C16H17N5OS/c1-9( 2)13(7-22)21-16-11-5-12(2 0-15(11)18-8-19-16)10-3-4 -23-14(10)6-17/h3-5,8-9,1 3,22H,7H2,1-2H3,(H2,18,19 ,20,21)/t13-/m0/s1; DRKVDXJPFFUETJ-ZDUSSCGKSA-N |
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccsc3 C#N; CC(C)[CH](CO)Nc1ncnc2[nH]c(cc12)c3c csc3C#N; CC(C)C(CO)Nc1ncnc2[NH]c(cc21)c1 ccsc1C#N; CC(C)[C@H](CO)Nc1ncnc2[nH]c(cc 12)c3ccsc3C#N; CC(C)C(CO)Nc1c2cc([nH]c2n cn1)c3ccsc3C#N |
(3P)-3-(4-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)thiophene-2-carbonitrile |
| 15168 |  A1CY9 |
2 | C27 H22 Cl2 F2 N4 O2 | InChI=1S/C27H22Cl2F2N4O2/ c28-17-4-5-18(22(31)14-17 )26-19(15-33-24(26)7-8-25 (36)35-11-1-2-12-35)27(37 )34-23(9-10-32)16-3-6-21( 30)20(29)13-16/h3-8,13-15 ,23,33H,1-2,9,11-12H2,(H, 34,37)/b8-7+/t23-/m0/s1; UEAYIXMYXYOLSD-MNQSQUENSA-N |
Fc1ccc(cc1Cl)[C@H](CC#N)NC(=O)c2c[nH]c(\ C=C\C(=O)N3CCCC3)c2c4ccc(Cl)cc4F; c1cc(c (cc1[C@H](CC#N)NC(=O)c2c[nH]c(c2c3ccc(cc 3F)Cl)/C=C/C(=O)N4CCCC4)Cl)F; Fc1ccc(cc1 Cl)[CH](CC#N)NC(=O)c2c[nH]c(C=CC(=O)N3CC CC3)c2c4ccc(Cl)cc4F; O=C(/C=C/c1[NH]cc(C (=O)NC(CC#N)c2ccc(F)c(Cl)c2)c1c1ccc(Cl)c c1F)N1CCCC1; c1cc(c(cc1C(CC#N)NC(=O)c2c[ nH]c(c2c3ccc(cc3F)Cl)C=CC(=O)N4CCCC4)Cl) F |
(4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide |
| 15169 |  A1CYA |
1 | C9 H10 N2 O2 | InChI=1S/C9H10N2O2/c1-7(1 2)9(13)11-6-8-4-2-3-5-10- 8/h2-7,12H,1H3/b11-6-/t7- /m1/s1; JCEANOGUMUZUGE-KLDHPSGWSA-N |
C[C@@H](O)C(=O)N=Cc1ccccn1; CC(O)C(=O)/N =C\c1ccccn1; C[C@H](C(=O)/N=C\c1ccccn1)O ; CC(C(=O)N=Cc1ccccn1)O; C[CH](O)C(=O)N= Cc1ccccn1 |
(2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide |
| 15170 |  A1CYB |
2 | C11 H15 N3 O | InChI=1S/C11H15N3O/c1-4-1 1-10(9(3)15-13-11)7-14-6- 5-8(2)12-14/h5-6H,4,7H2,1 -3H3; ONVCGJKKLHRQQB-UHFFFAOYSA-N |
CCc1c(c(on1)C)Cn2ccc(n2)C; CCc1noc(C)c1C n1ccc(C)n1; CCc1noc(C)c1Cn2ccc(C)n2 |
3-ethyl-5-methyl-4-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,2-oxazole |
| 15171 |  A1CYC |
2 | C11 H14 F3 N3 O2 | InChI=1S/C11H14F3N3O2/c1- 8-7-19-5-4-17(8)10(18)6-1 6-3-2-9(15-16)11(12,13)14 /h2-3,8H,4-7H2,1H3/t8-/m0 /s1; IHWVDPUKPLKKMT-QMMMGPOBSA-N |
C[CH]1COCCN1C(=O)Cn2ccc(n2)C(F)(F)F; CC1 COCCN1C(=O)Cn1ccc(n1)C(F)(F)F; CC1COCCN1 C(=O)Cn2ccc(n2)C(F)(F)F; C[C@H]1COCCN1C( =O)Cn2ccc(n2)C(F)(F)F |
1-[(3S)-3-methylmorpholin-4-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one |
| 15172 |  A1CYD |
4 | C9 H14 N2 O S | InChI=1S/C9H14N2OS/c1-7-6 -13-9(11-7)10-5-8-3-2-4-1 2-8/h6,8H,2-5H2,1H3,(H,10 ,11)/t8-/m0/s1; VWLMRMKWLYRBMA-QMMMGPOBSA-N |
Cc1csc(NC[C@@H]2CCCO2)n1; Cc1csc(NCC2OCC C2)n1; Cc1csc(NC[CH]2CCCO2)n1; Cc1csc(n1 )NCC2CCCO2; Cc1csc(n1)NC[C@@H]2CCCO2 |
4-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine |
| 15173 |  A1CYE |
1 | C14 H18 O4 | InChI=1S/C14H18O4/c1-16-1 1-5-3-4-10(8-11)12-6-7-18 -9-13(12)14(15)17-2/h3-5, 8,12-13H,6-7,9H2,1-2H3/t1 2-,13-/m0/s1; NCVNWGHLUJPPQR-STQMWFEESA-N |
COc1cccc(c1)C2CCOCC2C(=O)OC; COc1cccc(c1 )[C@@H]2CCOC[C@@H]2C(=O)OC; COC(=O)C1COC CC1c1cccc(OC)c1; COC(=O)[CH]1COCC[CH]1c2 cccc(OC)c2; COC(=O)[C@H]1COCC[C@H]1c2ccc c(OC)c2 |
methyl (3R,4R)-4-(3-methoxyphenyl)oxane-3-carboxylate |
| 15174 |  A1CYF |
4 | C9 H9 N3 O | InChI=1S/C9H9N3O/c1-6-11- 9(12-13-6)7-3-2-4-8(10)5- 7/h2-5H,10H2,1H3; CTRGRIHPFAVSOF-UHFFFAOYSA-N |
Cc1nc(no1)c2cccc(c2)N; Cc1onc(n1)c2cccc( N)c2; Nc1cccc(c1)c1nc(C)on1 |
3-(5-methyl-1,2,4-oxadiazol-3-yl)aniline |
| 15175 |  A1CYJ |
3 | C22 H21 F3 N8 | InChI=1S/C22H21F3N8/c1-31 -9-11-32(12-10-31)20-5-4- 15(13-17(20)22(23,24)25)2 9-21-26-8-6-18(30-21)16-1 4-28-33-19(16)3-2-7-27-33 /h2-8,13-14H,9-12H2,1H3,( H,26,29,30); ZOTNSCLLJKXGSD-UHFFFAOYSA-N |
FC(F)(F)c1cc(ccc1N1CCN(C)CC1)Nc1nccc(n1) c1cnn2ncccc12; CN1CCN(CC1)c2ccc(cc2C(F)( F)F)Nc3nccc(n3)c4cnn5c4cccn5; CN1CCN(CC1 )c2ccc(Nc3nccc(n3)c4cnn5ncccc45)cc2C(F)( F)F |
(4M)-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-[(8R)-pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine |
| 15176 |  A1CYL |
18 | C18 H18 N6 O3 S | InChI=1S/C18H18N6O3S/c1-4 -17(25)21-14-7-5-6-13(8-1 4)20-16-9-15(12-10-19-24( 2)11-12)22-18(23-16)28(3, 26)27/h4-11H,1H2,2-3H3,(H ,21,25)(H,20,22,23); OHIRQZURQMXAMZ-UHFFFAOYSA-N |
Cn1cc(cn1)c2cc(Nc3cccc(NC(=O)C=C)c3)nc(n 2)[S](C)(=O)=O; Cn1cc(cn1)c1nc(nc(Nc2ccc c(NC(=O)C=C)c2)c1)S(C)(=O)=O; Cn1cc(cn1) c2cc(nc(n2)S(=O)(=O)C)Nc3cccc(c3)NC(=O)C =C |
N-(3-{[(6P)-2-(methanesulfonyl)-6-(1-methyl-1H-pyrazol-4-yl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide |
| 15177 |  A1CYM |
1 | C17 H17 N5 O3 S2 | InChI=1S/C17H17N5O3S2/c18 -16-15-13(20-9-21-16)8-14 (26-15)10-3-1-4-11(7-10)2 7(24,25)22-17(23)12-5-2-6 -19-12/h1,3-4,7-9,12,19H, 2,5-6H2,(H,22,23)(H2,18,2 0,21)/t12-/m0/s1; CYQWGKZIYYOYCD-LBPRGKRZSA-N |
Nc1ncnc2cc(sc12)c3cccc(c3)[S](=O)(=O)NC( =O)[CH]4CCCN4; Nc1ncnc2cc(sc12)c3cccc(c3 )[S](=O)(=O)NC(=O)[C@@H]4CCCN4; c1cc(cc( c1)S(=O)(=O)NC(=O)[C@@H]2CCCN2)c3cc4c(s3 )c(ncn4)N; c1cc(cc(c1)S(=O)(=O)NC(=O)C2C CCN2)c3cc4c(s3)c(ncn4)N; O=C(NS(=O)(=O)c 1cccc(c1)c1cc2ncnc(N)c2s1)C1CCCN1 |
N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide |
| 15178 |  A1CYY |
2 | C18 H17 F2 N3 | InChI=1S/C18H17F2N3/c1-23 -17-8-12(6-7-13(17)11-22- 23)10-21-16-5-3-2-4-14(16 )15-9-18(15,19)20/h2-8,11 ,15,21H,9-10H2,1H3/t15-/m 1/s1; XFVSAPGKSJEWES-OAHLLOKOSA-N |
Cn1c2cc(ccc2cn1)CNc3ccccc3C4CC4(F)F; Cn1 ncc2ccc(CNc3ccccc3[C@H]4CC4(F)F)cc12; FC 1(F)CC1c1ccccc1NCc1ccc2cnn(C)c2c1; Cn1nc c2ccc(CNc3ccccc3[CH]4CC4(F)F)cc12; Cn1c2 cc(ccc2cn1)CNc3ccccc3[C@H]4CC4(F)F |
2-[(1R)-2,2-difluorocyclopropyl]-N-[(1-methyl-1H-indazol-6-yl)methyl]aniline |
| 15179 |  A1CYZ |
2 | C13 H19 N6 O8 P S | InChI=1S/C13H19N6O8PS/c14 -5(2-29)13(22)27-28(23,24 )25-1-6-8(20)9(21)12(26-6 )19-4-18-7-10(15)16-3-17- 11(7)19/h3-6,8-9,12,20-21 ,29H,1-2,14H2,(H,23,24)(H 2,15,16,17)/t5-,6+,8+,9+, 12+/m0/s1; CHQCHJWWSCSGOJ-MACXSXHHSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COP(=O)(O)OC(=O)[C@H](CS)N)O)O)N; N[C@@H](CS)C(=O)O[P](O)(=O)OC[C@H]1O[C@ H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; SC C(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc3 2)C(O)C1O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3) COP(=O)(O)OC(=O)C(CS)N)O)O)N; N[CH](CS)C (=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1 O)n2cnc3c(N)ncnc23 |
5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine; Cysteinyl-AMP |
| 15180 |  A1CZ3 |
1 | C17 H23 N7 O | InChI=1S/C17H23N7O/c1-9(2 )21-12-6-14(20-8-11(12)17 (25)19-3)23-15-7-13(18)22 -16(24-15)10-4-5-10/h6-10 H,4-5H2,1-3H3,(H,19,25)(H 4,18,20,21,22,23,24); JZWHUUDQWPHFDT-UHFFFAOYSA-N |
CC(C)Nc1cc(ncc1C(=O)NC)Nc2cc(nc(n2)C3CC3 )N; CC(C)Nc1cc(ncc1C(=O)NC)Nc1cc(N)nc(n1 )C1CC1; CNC(=O)c1cnc(Nc2cc(N)nc(n2)C3CC3 )cc1NC(C)C |
6-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methyl-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| 15181 |  A1CZD |
8 | C41 H68 N7 O17 P3 S | InChI=1S/C41H68N7O17P3S/c 1-4-5-6-7-8-9-10-11-12-13 -14-15-16-17-18-19-20-21- 32(50)69-25-24-43-31(49)2 2-23-44-39(53)36(52)41(2, 3)27-62-68(59,60)65-67(57 ,58)61-26-30-35(64-66(54, 55)56)34(51)40(63-30)48-2 9-47-33-37(42)45-28-46-38 (33)48/h6-9,11-12,28-30,3 4-36,40,51-52H,4-5,10,13- 27H2,1-3H3,(H,43,49)(H,44 ,53)(H,57,58)(H,59,60)(H2 ,42,45,46)(H2,54,55,56)/b 7-6+,9-8+,12-11+/t30-,34- ,35-,36+,40-/m1/s1; VXJQAOBDWILAOY-WVXUJWCUSA-N |
CCCC=CC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC (=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O )OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n 2cnc3c(N)ncnc23; CCCC=CC=CCC=CCCCCCCCCCC (=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O) OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O P(=O)(O)O)O; CCC/C=C/C=C/C/C=C/CCCCCCCCC C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP( =O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@ H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC \C=C\C=C\C\C=C\CCCCCCCCCC(=O)SCCNC(=O)CC NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1 OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O; CC C/C=C/C=C/C/C=C/CCCCCCCCCC(=O)SCCNC(=O)C CNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O )(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]( O)(O)=O)n2cnc3c(N)ncnc23 |
S-{(3S,5S,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (11E,14E,16E)-icosa-11,14,16-trienethioate (non-preferred name) |
| 15182 |  A1CZQ |
32 | C21 H26 N6 O | InChI=1S/C21H26N6O/c1-12- 9-13(2)18-16(10-12)15(4)1 9(25-18)20(28)27-7-5-26(6 -8-27)17-11-14(3)23-21(22 )24-17/h9-11,25H,5-8H2,1- 4H3,(H2,22,23,24); ZAZHUFUDTYOTRD-UHFFFAOYSA-N |
Cc1cc(C)c2[nH]c(c(C)c2c1)C(=O)N3CCN(CC3) c4cc(C)nc(N)n4; Cc1cc(c2c(c1)c(c([nH]2)C (=O)N3CCN(CC3)c4cc(nc(n4)N)C)C)C; O=C(c1 [NH]c2c(C)cc(C)cc2c1C)N1CCN(CC1)c1cc(C)n c(N)n1 |
[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl](3,5,7-trimethyl-1H-indol-2-yl)methanone |
| 15183 |  A1CZS |
4 | C60 H91 N9 O14 | InChI=1S/C60H91N9O14/c1-1 5-36(6)52(45(81-13)32-49( 73)68-30-19-22-44(68)54(8 2-14)37(7)55(75)62-38(8)5 3(74)42-20-17-16-18-21-42 )66(11)59(79)50(34(2)3)65 -58(78)51(35(4)5)67(12)60 (80)83-33-41-23-25-43(26- 24-41)64-57(77)40(10)63-5 6(76)39(9)61-46(70)29-31- 69-47(71)27-28-48(69)72/h 16-18,20-21,23-26,34-40,4 4-45,50-54,74H,15,19,22,2 7-33H2,1-14H3,(H,61,70)(H ,62,75)(H,63,76)(H,64,77) (H,65,78)/t36-,37+,38+,39 -,40-,44-,45+,50-,51-,52- ,53+,54+/m0/s1; FQLMLVWEYZJWED-KUVRQIMGSA-N |
CC[CH](C)[CH]([CH](CC(=O)N1CCC[CH]1[CH]( OC)[CH](C)C(=O)N[CH](C)[CH](O)c2ccccc2)O C)N(C)C(=O)[CH](NC(=O)[CH](C(C)C)N(C)C(= O)OCc3ccc(NC(=O)[CH](C)NC(=O)[CH](C)NC(= O)CCN4C(=O)CCC4=O)cc3)C(C)C; CC[C@H](C)[ C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@ @H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC) OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C) C)N(C)C(=O)OCc3ccc(cc3)NC(=O)[C@H](C)NC( =O)[C@H](C)NC(=O)CCN4C(=O)CCC4=O; O=C1CC C(=O)N1CCC(=O)NC(C)C(=O)NC(C)C(=O)Nc1ccc (cc1)COC(=O)N(C)C(C(C)C)C(=O)NC(C(C)C)C( =O)N(C)C(C(C)CC)C(OC)CC(=O)N1CCCC1C(OC)C (C)C(=O)NC(C)C(O)c1ccccc1; CC[C@H](C)[C@ @H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@ @H](C)C(=O)N[C@H](C)[C@@H](O)c2ccccc2)OC )N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C (=O)OCc3ccc(NC(=O)[C@H](C)NC(=O)[C@H](C) NC(=O)CCN4C(=O)CCC4=O)cc3)C(C)C; CCC(C)C (C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(c2cccc c2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C) C)N(C)C(=O)OCc3ccc(cc3)NC(=O)C(C)NC(=O)C (C)NC(=O)CCN4C(=O)CCC4=O; CC[C@H](C)[C@@ H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@ H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC) N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C( =O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)N C(=O)CCN2C(=O)CCC2=O)cc1)C(C)C; CC[CH](C )[CH]([CH](CC(=O)N1CCC[CH]1[CH](OC)[CH]( C)C(=O)N[CH](C)[CH](O)c1ccccc1)OC)N(C)C( =O)[CH](NC(=O)[CH](C(C)C)N(C)C(=O)OCc1cc c(NC(=O)[CH](C)NC(=O)[CH](C)NC(=O)CCN2C( =O)CCC2=O)cc1)C(C)C |
N-({[4-({N-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-L-alanyl-L-alanyl}amino)phenyl]methoxy}carbonyl)-N-methyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide |
| 15184 |  A1CZV |
1 | C21 H24 N2 O2 | InChI=1S/C21H24N2O2/c1-14 -12-16(6-9-22-14)17-4-5-1 8-19(24)13-21(25-20(18)15 (17)2)7-10-23(3)11-8-21/h 4-6,9,12H,7-8,10-11,13H2, 1-3H3; FNDUJJMYQXJLFX-UHFFFAOYSA-N |
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)C)CC3 =O; CN1CCC2(CC1)CC(=O)c3ccc(c(C)c3O2)c4c cnc(C)c4; Cc1nccc(c1)c1ccc2c(OC3(CCN(C)C C3)CC2=O)c1C |
(7M)-1',8-dimethyl-7-(2-methylpyridin-4-yl)spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| 15185 |  A1CZW |
4 | C38 H46 N6 O5 | InChI=1S/C38H46N6O5/c1-26 -20-30(12-17-39-26)31-7-5 -29-11-13-38(49-36(29)27( 31)2)14-18-43(19-15-38)21 -32-28(4-3-16-40-32)6-8-3 3(45)41-42-34(46)9-10-35( 47)44-22-37(23-44)24-48-2 5-37/h3-5,7,12,16-17,20H, 6,8-11,13-15,18-19,21-25H 2,1-2H3,(H,41,45)(H,42,46 ); FOXKCTVUOUVVFM-UHFFFAOYSA-N |
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)C c5c(cccn5)CCC(=O)NNC(=O)CCC(=O)N6CC7(C6) COC7; O=C(CCC(=O)NNC(=O)CCc1cccnc1CN1CCC 2(CC1)CCc1ccc(c3ccnc(C)c3)c(C)c1O2)N1CC2 (COC2)C1; Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4) Cc5ncccc5CCC(=O)NNC(=O)CCC(=O)N6CC7(COC7 )C6)Oc3c2C |
N'-[3-(2-{[(7M)-8-methyl-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-1'-yl]methyl}pyridin-3-yl)propanoyl]-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxobutanehydrazide |
| 15186 |  A1CZZ |
1 | C17 H21 N7 O | InChI=1S/C17H21N7O/c1-11( 2)25-14-7-16(22-15-5-6-19 -17(18-3)23-15)20-9-13(14 )12-8-21-24(4)10-12/h5-11 H,1-4H3,(H2,18,19,20,22,2 3); WFXKRZUINNMXEP-UHFFFAOYSA-N |
CNc1nccc(Nc2cc(OC(C)C)c(cn2)c3cnn(C)c3)n 1; Cn1cc(cn1)c1cnc(Nc2ccnc(NC)n2)cc1OC(C )C; CC(C)Oc1cc(ncc1c2cnn(c2)C)Nc3ccnc(n3 )NC |
N~2~-methyl-N~4~-{(5P)-5-(1-methyl-1H-pyrazol-4-yl)-4-[(propan-2-yl)oxy]pyridin-2-yl}pyrimidine-2,4-diamine |
| 15187 |  A1D46 CHEMBL5568345 |
11 | C21 H20 N4 O2 | InChI=1S/C21H20N4O2/c26-2 1-15(10-13-4-5-16-18(11-1 3)24-12-23-16)20-17(25-21 )2-1-3-19(20)27-14-6-8-22 -9-7-14/h1-5,10-12,14,22H ,6-9H2,(H,23,24)(H,25,26); GEWYCLDNMSKZLN-UHFFFAOYSA-N |
O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cn c5c4; O=C\1Nc2cccc(OC3CCNCC3)c2C\1=C/c4c cc5[nH]cnc5c4; c1cc2c(c(c1)OC3CCNCC3)C(= Cc4ccc5c(c4)nc[nH]5)C(=O)N2 |
3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one; (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one |
| 15188 |  A1D47 CHEMBL5556470 |
11 | C21 H19 N3 O3 | InChI=1S/C21H19N3O3/c25-2 1-15(10-13-4-5-16-18(11-1 3)23-12-22-16)20-17(24-21 )2-1-3-19(20)27-14-6-8-26 -9-7-14/h1-5,10-12,14H,6- 9H2,(H,22,23)(H,24,25)/b1 5-10-; MLNIWJTYHTVNRA-GDNBJRDFSA-N |
c1cc2c(c(c1)OC3CCOCC3)C(=Cc4ccc5c(c4)nc[ nH]5)C(=O)N2; O=C\1Nc2cccc(OC3CCOCC3)c2C \1=C/c4ccc5[nH]cnc5c4; c1cc2c(c(c1)OC3CC OCC3)/C(=C/c4ccc5c(c4)nc[nH]5)/C(=O)N2; O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cn c5c4 |
(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one; (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one |
| 15189 |  A1D48 CHEMBL5564421 |
13 | C16 H11 N3 O2 | InChI=1S/C16H11N3O2/c20-1 4-3-1-2-12-15(14)10(16(21 )19-12)6-9-4-5-11-13(7-9) 18-8-17-11/h1-8,20H,(H,17 ,18)(H,19,21)/b10-6-; SDUHFKYEVPUWDL-POHAHGRESA-N |
c1cc2c(c(c1)O)/C(=C/c3ccc4c(c3)nc[nH]4)/ C(=O)N2; Oc1cccc2NC(=O)C(=Cc3ccc4[nH]cnc 4c3)c12; c1cc2c(c(c1)O)C(=Cc3ccc4c(c3)nc [nH]4)C(=O)N2; Oc1cccc2NC(=O)\C(=C/c3ccc 4[nH]cnc4c3)c12 |
(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-oxidanyl-1~{H}-indol-2-one; (Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-hydroxyindolin-2-one |
| 15190 |  A1D49 CHEMBL3659477 DB18785 |
1 | C19 H20 N4 O2 | InChI=1S/C19H20N4O2/c1-2- 9-25-15-6-3-13(4-7-15)18- 11-20-19(24)23(18)14-5-8- 16-17(10-14)22-12-21-16/h 3-8,10,12,18H,2,9,11H2,1H 3,(H,20,24)(H,21,22)/t18- /m1/s1; XHIKZWOEFZENIX-GOSISDBHSA-N |
CCCOc1ccc(cc1)C2CNC(=O)N2c3ccc4c(c3)[nH] cn4; CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4n c[nH]c4c3; CCCOc1ccc(cc1)[C@H]2CNC(=O)N2 c3ccc4nc[nH]c4c3; CCCOc1ccc(cc1)[C@H]2CN C(=O)N2c3ccc4c(c3)[nH]cn4 |
(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one; PQ912 |
| 15191 |  A1D50 CHEMBL5568138 |
2 | C27 H28 Br N5 O6 | InChI=1S/C27H28BrN5O6/c28 -16-13-19(27(36)32-9-11-3 9-12-10-32)25(23(14-16)33 (37)38)30-21-7-3-4-8-22(2 1)31-26(35)18-15-24(34)29 -20-6-2-1-5-17(18)20/h1-2 ,5-6,13-15,21-22,30H,3-4, 7-12H2,(H,29,34)(H,31,35) /t21-,22+/m1/s1; KFFVXVXATZDEKJ-YADHBBJMSA-N |
c1ccc2c(c1)C(=CC(=O)N2)C(=O)N[C@H]3CCCC[ C@H]3Nc4c(cc(cc4[N+](=O)[O-])Br)C(=O)N5C COCC5; c1ccc2c(c1)C(=CC(=O)N2)C(=O)NC3CC CCC3Nc4c(cc(cc4[N+](=O)[O-])Br)C(=O)N5CC OCC5; [O-][N+](=O)c1cc(Br)cc(C(=O)N2CCOC C2)c1N[C@@H]3CCCC[C@@H]3NC(=O)C4=CC(=O)N c5ccccc45; [O-][N+](=O)c1cc(Br)cc(C(=O)N 2CCOCC2)c1N[CH]3CCCC[CH]3NC(=O)C4=CC(=O) Nc5ccccc45 |
~{N}-[(1~{S},2~{R})-2-[(4-bromanyl-2-morpholin-4-ylcarbonyl-6-nitro-phenyl)amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide |
| 15192 |  A1D51 CHEMBL5558007 |
4 | C27 H29 N5 O5 | InChI=1S/C27H29N5O5/c1-28 -26(34)19-12-16(15-10-11- 15)13-23(32(36)37)25(19)3 0-21-8-4-5-9-22(21)31-27( 35)18-14-24(33)29-20-7-3- 2-6-17(18)20/h2-3,6-7,12- 15,21-22,30H,4-5,8-11H2,1 H3,(H,28,34)(H,29,33)(H,3 1,35)/t21-,22+/m1/s1; MVXGEYVENMHUPC-YADHBBJMSA-N |
CNC(=O)c1cc(cc(c1N[C@@H]2CCCC[C@@H]2NC(= O)C3=CC(=O)Nc4c3cccc4)[N+](=O)[O-])C5CC5 ; CNC(=O)c1cc(cc(c1N[CH]2CCCC[CH]2NC(=O) C3=CC(=O)Nc4ccccc34)[N+]([O-])=O)C5CC5; CNC(=O)c1cc(cc(c1N[C@@H]2CCCC[C@@H]2NC(= O)C3=CC(=O)Nc4ccccc34)[N+]([O-])=O)C5CC5 ; CNC(=O)c1cc(cc(c1NC2CCCCC2NC(=O)C3=CC( =O)Nc4c3cccc4)[N+](=O)[O-])C5CC5 |
~{N}-[(1~{S},2~{R})-2-[[4-cyclopropyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]-2-oxidanylidene-1~{H}-quinoline-4-carboxamide |
| 15193 |  A1D52 CHEMBL1836657 |
2 | C22 H23 N O3 | InChI=1S/C22H23NO3/c1-25- 21-10-18-17-9-14(24)5-6-1 5(17)16-8-13-4-3-7-23(13) 12-20(16)19(18)11-22(21)2 6-2/h5-6,9-11,13,24H,3-4, 7-8,12H2,1-2H3/t13-/m0/s1; DSYIHAGYTDJTNX-ZDUSSCGKSA-N |
COc1cc2c3CN4CCC[C@H]4Cc3c5ccc(O)cc5c2cc1 OC; COc1cc2c3cc(ccc3c4c(c2cc1OC)CN5CCCC5 C4)O; COc1cc2c3cc(ccc3c4c(c2cc1OC)CN5CCC [C@H]5C4)O; COc1cc2c3CN4CCC[CH]4Cc3c5ccc (O)cc5c2cc1OC |
(13~{a}~{S})-6,7-dimethoxy-9,11,12,13,13~{a},14-hexahydrophenanthro[9,10-f]indolizin-3-ol |
| 15194 |  A1D54 CHEMBL1672354 |
1 | C20 H18 F6 N4 O | InChI=1S/C20H18F6N4O/c21- 19(22,23)17(6-7-17)10-14- 12-27-16(29-14)11-18(31,2 0(24,25)26)13-2-4-15(5-3- 13)30-9-1-8-28-30/h1-5,8- 9,12,31H,6-7,10-11H2,(H,2 7,29)/t18-/m0/s1; UJINBEQCDMOAHM-SFHVURJKSA-N |
c1cnn(c1)c2ccc(cc2)[C@@](Cc3[nH]c(cn3)CC 4(CC4)C(F)(F)F)(C(F)(F)F)O; O[C](Cc1[nH] c(CC2(CC2)C(F)(F)F)cn1)(c3ccc(cc3)n4cccn 4)C(F)(F)F; O[C@@](Cc1[nH]c(CC2(CC2)C(F) (F)F)cn1)(c3ccc(cc3)n4cccn4)C(F)(F)F; c1 cnn(c1)c2ccc(cc2)C(Cc3[nH]c(cn3)CC4(CC4) C(F)(F)F)(C(F)(F)F)O |
(2~{S})-1,1,1-tris(fluoranyl)-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1~{H}-imidazol-2-yl]propan-2-ol; MK-5046 |
| 15195 |  A1D55 CHEMBL4444318 |
2 | C31 H28 N2 O7 | InChI=1S/C31H28N2O7/c1-35 -25-10-17(11-26(36-2)30(2 5)37-3)27-19-12-23-24(40- 15-39-23)13-20(19)29(21-1 4-38-31(34)28(21)27)33-18 -6-7-22-16(9-18)5-4-8-32- 22/h4-13,21,27-29,33H,14- 15H2,1-3H3/t21-,27+,28-,2 9+/m0/s1; CKAQZFBCKGLIQY-MHTDFPPDSA-N |
COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O) [CH](Nc4ccc5ncccc5c4)c6cc7OCOc7cc26; COc 1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O )[C@H](Nc4ccc5ncccc5c4)c6cc7OCOc7cc26; C Oc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O) OC5)Nc6ccc7c(c6)cccn7)OCO4; COc1cc(cc(c1 OC)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@ H]2C(=O)OC5)Nc6ccc7c(c6)cccn7)OCO4 |
(5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one |
| 15196 |  A1D59 |
1 | C24 H24 N4 O2 | InChI=1S/C24H24N4O2/c29-2 1-10-14-28(15-11-21)23-17 -20(9-13-26-23)19-8-12-25 -22(16-19)27-24(30)7-6-18 -4-2-1-3-5-18/h1-9,12-13, 16-17,21,29H,10-11,14-15H 2,(H,25,27,30); LLCXZJGKTNDVLE-UHFFFAOYSA-N |
c1ccc(cc1)C=CC(=O)Nc2cc(ccn2)c3ccnc(c3)N 4CCC(CC4)O; c1ccc(cc1)/C=C/C(=O)Nc2cc(cc n2)c3ccnc(c3)N4CCC(CC4)O; OC1CCN(CC1)c2c c(ccn2)c3ccnc(NC(=O)C=Cc4ccccc4)c3; OC1C CN(CC1)c2cc(ccn2)c3ccnc(NC(=O)/C=C/c4ccc cc4)c3 |
(~{E})-~{N}-[4-[2-(4-oxidanylpiperidin-1-yl)pyridin-4-yl]pyridin-2-yl]-3-phenyl-prop-2-enamide |
| 15197 |  A1D5A DB11507 |
2 | C22 H29 Cl O6 | InChI=1S/C22H29ClO6/c23-1 5-6-5-7-17(12-15)29-14-16 (24)10-11-19-18(20(25)13- 21(19)26)8-3-1-2-4-9-22(2 7)28/h1,3,5-7,10-12,16,18 -21,24-26H,2,4,8-9,13-14H 2,(H,27,28)/b3-1-,11-10+/ t16-,18-,19-,20+,21-/m1/s 1; VJGGHXVGBSZVMZ-QIZQQNKQSA-N |
O[C@@H](COc1cccc(Cl)c1)\C=C\[C@H]2[C@H]( O)C[C@H](O)[C@@H]2C\C=C/CCCC(O)=O; O[CH] (COc1cccc(Cl)c1)C=C[CH]2[CH](O)C[CH](O)[ CH]2CC=CCCCC(O)=O; c1cc(cc(c1)Cl)OCC(C=C C2C(CC(C2CC=CCCCC(=O)O)O)O)O; c1cc(cc(c1 )Cl)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([ C@@H]2C/C=C\CCCC(=O)O)O)O)O |
Cloprostenol |
| 15198 |  A1D5B CHEMBL1229067 |
0 | C7 H16 N2 O2 | InChI=1S/C7H16N2O2/c1-11- 7(10)6(9)4-2-3-5-8/h6H,2- 5,8-9H2,1H3/t6-/m0/s1; KPNBUPJZFJCCIQ-LURJTMIESA-N |
COC(=O)[CH](N)CCCCN; COC(=O)C(CCCCN)N; C OC(=O)[C@H](CCCCN)N; COC(=O)[C@@H](N)CCC CN |
methyl (2~{S})-2,6-bis(azanyl)hexanoate; Methyl lysinate |
| 15199 |  A1D5C |
20 | C22 H20 N4 O3 | InChI=1S/C22H20N4O3/c1-13 (27)26-8-7-15(11-26)29-20 -4-2-3-18-21(20)16(22(28) 25-18)9-14-5-6-17-19(10-1 4)24-12-23-17/h2-6,9-10,1 2,15H,7-8,11H2,1H3,(H,23, 24)(H,25,28)/b16-9-/t15-/ m1/s1; VSPYYDBQSOJOEX-AVIKPIRVSA-N |
CC(=O)N1CC[C@H](C1)Oc2cccc3c2/C(=C/c4ccc 5c(c4)nc[nH]5)/C(=O)N3; CC(=O)N1CCC(C1)O c2cccc3c2C(=Cc4ccc5c(c4)nc[nH]5)C(=O)N3; CC(=O)N1CC[CH](C1)Oc2cccc3NC(=O)C(=Cc4c cc5[nH]cnc5c4)c23; CC(=O)N1CC[C@H](C1)Oc 2cccc3NC(=O)C(=C/c4ccc5[nH]cnc5c4)\c23 |
(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-[(3~{R})-1-ethanoylpyrrolidin-3-yl]oxy-1~{H}-indol-2-one |
| 15200 |  A1D5D |
1 | C38 H49 N5 O2 | InChI=1S/C38H49N5O2/c1-29 (19-22-39)27-38(2,3)28-41 -36(44)35(26-32-16-11-15- 31-14-7-8-18-34(31)32)42- 37(45)43(24-20-30-12-5-4- 6-13-30)25-21-33-17-9-10- 23-40-33/h4-18,23,29,35H, 19-22,24-28,39H2,1-3H3,(H ,41,44)(H,42,45)/t29-,35+ /m1/s1; MZKKCMXXGCRPGX-UYHPJTEGSA-N |
CC(CCN)CC(C)(C)CNC(=O)C(Cc1cccc2c1cccc2) NC(=O)N(CCc3ccccc3)CCc4ccccn4; C[C@H](CC N)CC(C)(C)CNC(=O)[C@H](Cc1cccc2c1cccc2)N C(=O)N(CCc3ccccc3)CCc4ccccn4; C[C@H](CCN )CC(C)(C)CNC(=O)[C@H](Cc1cccc2ccccc12)NC (=O)N(CCc3ccccc3)CCc4ccccn4; C[CH](CCN)C C(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O )N(CCc3ccccc3)CCc4ccccn4 |
(2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide; L797591 |