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Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 14401 |  A1BSG |
1 | C15 H18 N2 O3 | InChI=1S/C15H18N2O3/c16-1 5(19)12-4-5-13(18)17(9-12 )8-11-3-1-2-10-6-7-20-14( 10)11/h1-3,12H,4-9H2,(H2, 16,19)/t12-/m0/s1; AFDMLMKWXCGILH-LBPRGKRZSA-N |
NC(=O)[CH]1CCC(=O)N(C1)Cc2cccc3CCOc23; N C(=O)[C@H]1CCC(=O)N(C1)Cc2cccc3CCOc23; N C(=O)C1CCC(=O)N(C1)Cc1cccc2CCOc12; c1cc2 c(c(c1)CN3C[C@H](CCC3=O)C(=O)N)OCC2; c1c c2c(c(c1)CN3CC(CCC3=O)C(=O)N)OCC2 |
(3S)-1-[(2,3-dihydro-1-benzofuran-7-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 14402 |  A1BSH |
2 | C16 H19 Br N2 O2 | InChI=1S/C16H19BrN2O2/c17 -13-5-1-3-10-6-7-12(14(10 )13)16(21)19-8-2-4-11(9-1 9)15(18)20/h1,3,5,11-12H, 2,4,6-9H2,(H2,18,20)/t11- ,12?/m0/s1; AXUVEMNCADPROP-PXYINDEMSA-N |
c1cc2c(c(c1)Br)C(CC2)C(=O)N3CCCC(C3)C(=O )N; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2CCc3ccc c(Br)c23; NC(=O)[C@H]1CCCN(C1)C(=O)[C@H] 2CCc3cccc(Br)c23; c1cc2c(c(c1)Br)[C@H](C C2)C(=O)N3CCC[C@@H](C3)C(=O)N; O=C(C1CCc 2cccc(Br)c21)N1CCCC(C1)C(N)=O |
(3S)-1-[(1R)-7-bromo-2,3-dihydro-1H-indene-1-carbonyl]piperidine-3-carboxamide |
| 14403 |  A1BSI |
1 | C16 H19 F3 N2 O3 | InChI=1S/C16H19F3N2O3/c1- 24-13-5-4-12(16(17,18)19) 7-11(13)8-14(22)21-6-2-3- 10(9-21)15(20)23/h4-5,7,1 0H,2-3,6,8-9H2,1H3,(H2,20 ,23)/t10-/m0/s1; PQPPRBLQDZEENG-JTQLQIEISA-N |
COc1ccc(cc1CC(=O)N2CCC[C@@H](C2)C(N)=O)C (F)(F)F; COc1ccc(cc1CC(=O)N2CCC[CH](C2)C (N)=O)C(F)(F)F; COc1ccc(cc1CC(=O)N2CCC[C @@H](C2)C(=O)N)C(F)(F)F; COc1ccc(cc1CC(= O)N2CCCC(C2)C(=O)N)C(F)(F)F; O=C(Cc1cc(c cc1OC)C(F)(F)F)N1CCCC(C1)C(N)=O |
(3S)-1-{[2-methoxy-5-(trifluoromethyl)phenyl]acetyl}piperidine-3-carboxamide |
| 14404 |  A1BSJ |
2 | C16 H22 N2 O3 | InChI=1S/C16H22N2O3/c1-21 -14-7-3-2-5-13(14)11-15(1 9)18-9-4-6-12(8-10-18)16( 17)20/h2-3,5,7,12H,4,6,8- 11H2,1H3,(H2,17,20)/t12-/ m0/s1; KYIQVLMLIAPQNM-LBPRGKRZSA-N |
O=C(Cc1ccccc1OC)N1CCCC(CC1)C(N)=O; COc1c cccc1CC(=O)N2CCC[C@@H](CC2)C(=O)N; COc1c cccc1CC(=O)N2CCC[C@@H](CC2)C(N)=O; COc1c cccc1CC(=O)N2CCCC(CC2)C(=O)N; COc1ccccc1 CC(=O)N2CCC[CH](CC2)C(N)=O |
(4S)-1-[(2-methoxyphenyl)acetyl]azepane-4-carboxamide |
| 14405 |  A1BSK |
2 | C19 H24 Cl N3 O4 | InChI=1S/C19H24ClN3O4/c1- 27-16-4-2-3-15(20)14(16)8 -17(24)23-9-11(18(21)25)7 -12(10-23)19(26)22-13-5-6 -13/h2-4,11-13H,5-10H2,1H 3,(H2,21,25)(H,22,26); GPQKHKQSBRCPLG-UHFFFAOYSA-N |
COc1cccc(Cl)c1CC(=O)N2C[CH](C[CH](C2)C(= O)NC3CC3)C(N)=O; COc1cccc(c1CC(=O)N2C[C@ @H](C[C@@H](C2)C(=O)NC3CC3)C(=O)N)Cl; CO c1cccc(c1CC(=O)N2CC(CC(C2)C(=O)NC3CC3)C( =O)N)Cl; COc1cccc(Cl)c1CC(=O)N2C[C@@H](C [C@@H](C2)C(=O)NC3CC3)C(N)=O; O=C(Cc1c(O C)cccc1Cl)N1CC(CC(C1)C(=O)NC1CC1)C(N)=O |
(3R,5S)-1-[(2-chloro-6-methoxyphenyl)acetyl]-N~3~-cyclopropylpiperidine-3,5-dicarboxamide |
| 14406 |  A1BSL |
2 | C13 H16 Cl N3 O3 | InChI=1S/C13H16ClN3O3/c1- 20-10-4-2-3-9(14)11(10)16 -13(19)17-6-5-8(7-17)12(1 5)18/h2-4,8H,5-7H2,1H3,(H 2,15,18)(H,16,19)/t8-/m0/ s1; MROSVTPISGFMGH-QMMMGPOBSA-N |
COc1cccc(c1NC(=O)N2CCC(C2)C(=O)N)Cl; COc 1cccc(Cl)c1NC(=O)N2CC[C@@H](C2)C(N)=O; C Oc1cccc(c1NC(=O)N2CC[C@@H](C2)C(=O)N)Cl; COc1cccc(Cl)c1NC(=O)N2CC[CH](C2)C(N)=O; O=C(N)C1CCN(C1)C(=O)Nc1c(OC)cccc1Cl |
(3S)-N~1~-(2-chloro-6-methoxyphenyl)pyrrolidine-1,3-dicarboxamide |
| 14407 |  A1BSN |
1 | C14 H19 N3 O2 | InChI=1S/C14H19N3O2/c1-10 -7-11(4-5-16-10)8-13(18)1 7-6-2-3-12(9-17)14(15)19/ h4-5,7,12H,2-3,6,8-9H2,1H 3,(H2,15,19)/t12-/m0/s1; MJQJNTRPVVBPCI-LBPRGKRZSA-N |
O=C(Cc1ccnc(C)c1)N1CCCC(C1)C(N)=O; Cc1cc (ccn1)CC(=O)N2CCCC(C2)C(=O)N; Cc1cc(CC(= O)N2CCC[CH](C2)C(N)=O)ccn1; Cc1cc(ccn1)C C(=O)N2CCC[C@@H](C2)C(=O)N; Cc1cc(CC(=O) N2CCC[C@@H](C2)C(N)=O)ccn1 |
(3S)-1-[(2-methylpyridin-4-yl)acetyl]piperidine-3-carboxamide |
| 14408 |  A1BSP |
2 | C13 H14 N6 O | InChI=1S/C13H14N6O/c1-18- 11-5-3-2-4-10(11)12(17-18 )13(20)15-6-7-19-9-14-8-1 6-19/h2-5,8-9H,6-7H2,1H3, (H,15,20); UIOOLKZMABSWFR-UHFFFAOYSA-N |
Cn1nc(C(=O)NCCn2cncn2)c2ccccc21; Cn1c2cc ccc2c(n1)C(=O)NCCn3cncn3; Cn1nc(C(=O)NCC n2cncn2)c3ccccc13 |
1-methyl-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-indazole-3-carboxamide |
| 14409 |  A1BSQ |
1 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c1-16 -11-5-3-2-4-10(11)12(15-1 6)13(17)14-9-6-7-18-8-9/h 2-5,9H,6-8H2,1H3,(H,14,17 )/t9-/m1/s1; OUXJTKZWAHXWFL-SECBINFHSA-N |
Cn1c2ccccc2c(n1)C(=O)N[C@H]3CCOC3; Cn1nc (C(=O)N[CH]2CCOC2)c3ccccc13; Cn1nc(C(=O) N[C@H]2CCOC2)c3ccccc13; Cn1c2ccccc2c(n1) C(=O)NC3CCOC3; O=C(NC1CCOC1)c1nn(C)c2ccc cc12 |
1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide |
| 14410 |  A1BSR |
1 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c1-16 -11-5-3-2-4-9(11)12(15-16 )13(18)14-10-6-8(10)7-17/ h2-5,8,10,17H,6-7H2,1H3,( H,14,18)/t8-,10-/m1/s1; KPYFSQUXIWVGBB-PSASIEDQSA-N |
Cn1nc(C(=O)N[CH]2C[CH]2CO)c3ccccc13; Cn1 c2ccccc2c(n1)C(=O)NC3CC3CO; OCC1CC1NC(=O )c1nn(C)c2ccccc21; Cn1nc(C(=O)N[C@H]2C[C @H]2CO)c3ccccc13; Cn1c2ccccc2c(n1)C(=O)N [C@H]3C[C@H]3CO |
N-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]-1-methyl-1H-indazole-3-carboxamide |
| 14411 |  A1BSS |
1 | C13 H19 N5 O2 | InChI=1S/C13H19N5O2/c14-1 1(19)8-2-1-5-18(7-8)13(20 )9-3-4-15-12-10(9)6-16-17 -12/h6,8-9H,1-5,7H2,(H2,1 4,19)(H2,15,16,17)/t8-,9- /m0/s1; DUAFBFAQMMCFPO-IUCAKERBSA-N |
c1c2c([nH]n1)NCC[C@H]2C(=O)N3CCC[C@@H](C 3)C(=O)N; NC(=O)[CH]1CCCN(C1)C(=O)[CH]2C CNc3[nH]ncc23; NC(=O)[C@H]1CCCN(C1)C(=O) [C@@H]2CCNc3[nH]ncc23; c1c2c([nH]n1)NCCC 2C(=O)N3CCCC(C3)C(=O)N; NC(=O)C1CCCN(C1) C(=O)C1CCNc2[NH]ncc21 |
(3S)-1-[(4S)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-3-carboxamide |
| 14412 |  A1BST |
1 | C13 H18 N4 O2 | InChI=1S/C13H18N4O2/c14-1 1-6-9(3-4-16-11)7-12(18)1 7-5-1-2-10(8-17)13(15)19/ h3-4,6,10H,1-2,5,7-8H2,(H 2,14,16)(H2,15,19)/t10-/m 0/s1; MKGWZERGGHSXDY-JTQLQIEISA-N |
c1cnc(cc1CC(=O)N2CCCC(C2)C(=O)N)N; O=C(C c1ccnc(N)c1)N1CCCC(C1)C(N)=O; c1cnc(cc1C C(=O)N2CCC[C@@H](C2)C(=O)N)N; NC(=O)[CH] 1CCCN(C1)C(=O)Cc2ccnc(N)c2; NC(=O)[C@H]1 CCCN(C1)C(=O)Cc2ccnc(N)c2 |
(3S)-1-[(2-aminopyridin-4-yl)acetyl]piperidine-3-carboxamide |
| 14413 |  A1BSU |
1 | C15 H21 N3 O3 S | InChI=1S/C15H21N3O3S/c1-2 1-11-6-3-7-12(22-2)13(11) 17-15(20)18-8-4-5-10(9-18 )14(16)19/h3,6-7,10H,4-5, 8-9H2,1-2H3,(H2,16,19)(H, 17,20)/t10-/m0/s1; UWEZCQKXPKGRPJ-JTQLQIEISA-N |
COc1cccc(SC)c1NC(=O)N2CCC[CH](C2)C(N)=O; O=C(Nc1c(OC)cccc1SC)N1CCCC(C1)C(N)=O; C Oc1cccc(c1NC(=O)N2CCCC(C2)C(=O)N)SC; COc 1cccc(c1NC(=O)N2CCC[C@@H](C2)C(=O)N)SC; COc1cccc(SC)c1NC(=O)N2CCC[C@@H](C2)C(N)= O |
(3S)-N~1~-[2-methoxy-6-(methylsulfanyl)phenyl]piperidine-1,3-dicarboxamide |
| 14414 |  A1BSW |
1 | C16 H20 N2 O3 | InChI=1S/C16H20N2O3/c1-21 -13-5-3-2-4-11(13)8-14(19 )18-10-16(15(17)20)7-6-12 (18)9-16/h2-5,12H,6-10H2, 1H3,(H2,17,20)/t12-,16+/m 1/s1; SHHPINGYNRIYNK-WBMJQRKESA-N |
O=C(Cc1ccccc1OC)N1CC2(CCC1C2)C(N)=O; COc 1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C(=O)N ; COc1ccccc1CC(=O)N2C[C@@]3(CC[C@H]2C3)C (N)=O; COc1ccccc1CC(=O)N2CC3(CCC2C3)C(=O )N; COc1ccccc1CC(=O)N2C[C]3(CC[CH]2C3)C( N)=O |
(1R,4S)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptane-4-carboxamide |
| 14415 |  A1BSX |
1 | C14 H15 Cl N4 O2 | InChI=1S/C14H15ClN4O2/c15 -11-3-8(4-12-10(11)5-17-1 8-12)6-19-7-9(14(16)21)1- 2-13(19)20/h3-5,9H,1-2,6- 7H2,(H2,16,21)(H,17,18)/t 9-/m0/s1; BDECSFSJDRQDHY-VIFPVBQESA-N |
c1c(cc(c2c1n[nH]c2)Cl)CN3C[C@H](CCC3=O)C (=O)N; NC(=O)[CH]1CCC(=O)N(C1)Cc2cc(Cl)c 3c[nH]nc3c2; NC(=O)[C@H]1CCC(=O)N(C1)Cc2 cc(Cl)c3c[nH]nc3c2; c1c(cc(c2c1n[nH]c2)C l)CN3CC(CCC3=O)C(=O)N; NC(=O)C1CCC(=O)N( C1)Cc1cc(Cl)c2c[NH]nc2c1 |
(3S)-1-[(4-chloro-2H-indazol-6-yl)methyl]-6-oxopiperidine-3-carboxamide |
| 14416 |  A1BSY |
1 | C15 H18 N4 O3 | InChI=1S/C15H18N4O3/c1-22 -13-5-4-10(8-16)7-12(13)1 8-15(21)19-6-2-3-11(9-19) 14(17)20/h4-5,7,11H,2-3,6 ,9H2,1H3,(H2,17,20)(H,18, 21)/t11-/m0/s1; TYTJRRUJUZJIIU-NSHDSACASA-N |
COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(N)=O)C #N; COc1ccc(cc1NC(=O)N2CCC[C@@H](C2)C(=O )N)C#N; COc1ccc(cc1NC(=O)N2CCCC(C2)C(=O) N)C#N; O=C(Nc1cc(C#N)ccc1OC)N1CCCC(C1)C( N)=O; COc1ccc(cc1NC(=O)N2CCC[CH](C2)C(N) =O)C#N |
(3S)-N~1~-(5-cyano-2-methoxyphenyl)piperidine-1,3-dicarboxamide |
| 14417 |  A1BSZ |
1 | C14 H18 Br N3 O3 | InChI=1S/C14H18BrN3O3/c1- 21-14-10(5-11(15)7-17-14) 6-12(19)18-4-2-3-9(8-18)1 3(16)20/h5,7,9H,2-4,6,8H2 ,1H3,(H2,16,20)/t9-/m0/s1; ZJPNDTHCVMYTGE-VIFPVBQESA-N |
COc1ncc(Br)cc1CC(=O)N2CCC[C@@H](C2)C(N)= O; O=C(Cc1cc(Br)cnc1OC)N1CCCC(C1)C(N)=O; COc1ncc(Br)cc1CC(=O)N2CCC[CH](C2)C(N)=O ; COc1c(cc(cn1)Br)CC(=O)N2CCCC(C2)C(=O)N ; COc1c(cc(cn1)Br)CC(=O)N2CCC[C@@H](C2)C (=O)N |
(3S)-1-[(5-bromo-2-methoxypyridin-3-yl)acetyl]piperidine-3-carboxamide |
| 14418 |  A1BT0 |
5 | C23 H23 N7 O2 | InChI=1S/C23H23N7O2/c24-2 2(20-9-12-31-29-20)27-18- 6-4-16(5-7-18)8-11-26-15- 17-2-1-3-19(14-17)28-23(2 5)21-10-13-32-30-21/h1-7, 9-10,12-14,26H,8,11,15H2, (H2,24,27)(H2,25,28); MPOMAHQBFHGXEU-UHFFFAOYSA-N |
N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1cco n1)c1ccon1; c1cc(cc(c1)NC(=N)c2ccon2)CNC Cc3ccc(cc3)NC(=N)c4ccon4; N=C(Nc1ccc(CCN Cc2cccc(NC(=N)c3ccon3)c2)cc1)c4ccon4; [H ]/N=C(\c1ccon1)/Nc2ccc(cc2)CCNCc3cccc(c3 )N/C(=N/[H])/c4ccon4 |
N-[3-({[2-(4-{[(E)-imino(1,2-oxazol-3-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,2-oxazole-3-carboximidamide |
| 14419 |  A1BT1 |
2 | C25 H25 N5 O2 | InChI=1S/C25H25N5O2/c26-2 4(20-9-12-31-16-20)29-22- 6-4-18(5-7-22)8-11-28-15- 19-2-1-3-23(14-19)30-25(2 7)21-10-13-32-17-21/h1-7, 9-10,12-14,16-17,28H,8,11 ,15H2,(H2,26,29)(H2,27,30 ); CEQWSSYRTMNHBN-UHFFFAOYSA-N |
[H]/N=C(\c1ccoc1)/Nc2ccc(cc2)CCNCc3cccc( c3)N/C(=N\[H])/c4ccoc4; c1cc(cc(c1)NC(=N )c2ccoc2)CNCCc3ccc(cc3)NC(=N)c4ccoc4; N= C(Nc1ccc(CCNCc2cccc(NC(=N)c3cocc3)c2)cc1 )c4cocc4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N C(=N)c1ccoc1)c1ccoc1 |
N-[3-({[2-(4-{[(E)-(furan-3-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-3-carboximidamide |
| 14420 |  A1BT2 |
7 | C27 H28 N4 O | InChI=1S/C27H28N4O/c28-18 -24-17-23(21-7-2-1-3-8-21 )12-11-22(24)13-14-30-19- 20-6-4-9-25(16-20)31-27(2 9)26-10-5-15-32-26/h1-12, 15-17,30H,13-14,18-19,28H 2,(H2,29,31); MTGGJCCMEJXQKQ-UHFFFAOYSA-N |
NCc1cc(ccc1CCNCc2cccc(NC(=N)c3occc3)c2)c 4ccccc4; [H]/N=C(\c1ccco1)/Nc2cccc(c2)CN CCc3ccc(cc3CN)c4ccccc4; NCc1cc(ccc1CCNCc 1cc(ccc1)NC(=N)c1ccco1)c1ccccc1; c1ccc(c c1)c2ccc(c(c2)CN)CCNCc3cccc(c3)NC(=N)c4c cco4 |
N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}furan-2-carboximidamide |
| 14421 |  A1BT3 |
1 | C25 H25 N5 O2 | InChI=1S/C25H25N5O2/c26-2 4(20-9-12-31-16-20)29-22- 6-4-18(5-7-22)8-11-28-15- 19-2-1-3-23(14-19)30-25(2 7)21-10-13-32-17-21/h1-7, 9-10,12-14,16-17,28H,8,11 ,15H2,(H2,26,29)(H2,27,30 ); CEQWSSYRTMNHBN-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=N)c2ccoc2)CNCCc3ccc(cc3)N C(=N)c4ccoc4; [H]/N=C(\c1ccoc1)/Nc2ccc(c c2)CCNCc3cccc(c3)N/C(=N/[H])/c4ccoc4; N= C(Nc1ccc(CCNCc2cccc(NC(=N)c3cocc3)c2)cc1 )c4cocc4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N C(=N)c1ccoc1)c1ccoc1 |
N-[3-({[2-(4-{[(E)-(furan-3-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-3-carboximidamide |
| 14422 |  A1BT4 |
2 | C6 H5 F2 N O2 | InChI=1S/C6H5F2NO2/c7-6(8 )11-4-1-2-5(10)9-3-4/h1-3 ,6H,(H,9,10); VRWFXRMPZMWPKH-UHFFFAOYSA-N |
C1=CC(=O)NC=C1OC(F)F; FC(F)OC1=CNC(=O)C= C1; O=C1C=CC(OC(F)F)=CN1 |
5-(difluoromethoxy)pyridin-2(1H)-one |
| 14423 |  A1BT5 |
5 | C23 H23 N7 S2 | InChI=1S/C23H23N7S2/c24-2 2(20-12-27-14-31-20)29-18 -6-4-16(5-7-18)8-9-26-11- 17-2-1-3-19(10-17)30-23(2 5)21-13-28-15-32-21/h1-7, 10,12-15,26H,8-9,11H2,(H2 ,24,29)(H2,25,30); OSSYPEGNXRITFY-UHFFFAOYSA-N |
[H]/N=C(/c1cncs1)\Nc2ccc(cc2)CCNCc3cccc( c3)N/C(=N/[H])/c4cncs4; N=C(Nc1ccc(cc1)C CNCc1cc(ccc1)NC(=N)c1cncs1)c1cncs1; c1cc (cc(c1)NC(=N)c2cncs2)CNCCc3ccc(cc3)NC(=N )c4cncs4; N=C(Nc1ccc(CCNCc2cccc(NC(=N)c3 scnc3)c2)cc1)c4scnc4 |
N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide |
| 14424 |  A1BT6 |
5 | C25 H25 N5 O2 | InChI=1S/C25H25N5O2/c26-2 4(22-9-3-13-31-22)29-20-7 -1-5-18(15-20)11-12-28-17 -19-6-2-8-21(16-19)30-25( 27)23-10-4-14-32-23/h1-10 ,13-16,28H,11-12,17H2,(H2 ,26,29)(H2,27,30); SNNHAIQQGAXYLV-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=N)c2ccco2)CCNCc3cccc(c3)N C(=N)c4ccco4; N=C(Nc1cccc(CCNCc2cccc(NC( =N)c3occc3)c2)c1)c4occc4; N=C(Nc1cccc(c1 )CCNCc1cc(ccc1)NC(=N)c1ccco1)c1ccco1; [H ]/N=C(/c1ccco1)\Nc2cccc(c2)CCNCc3cccc(c3 )N/C(=N/[H])/c4ccco4 |
N-[3-({[2-(3-{[(Z)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide |
| 14425 |  A1BT7 |
0 | C10 H17 F N3 O7 P | InChI=1S/C10H17FN3O7P/c1- 10(11)4-14(9(16)13-8(10)1 2)7-2-5(15)6(21-7)3-20-22 (17,18)19/h5-7,15H,2-4H2, 1H3,(H2,12,13,16)(H2,17,1 8,19)/t5-,6+,7+,10-/m0/s1; TYRMCTVFDIPPHW-DHCFDGJBSA-N |
CC1(CN(C(=O)N=C1N)C2CC(C(O2)COP(=O)(O)O) O)F; C[C@@]1(CN(C(=O)N=C1N)[C@H]2C[C@@H] ([C@H](O2)COP(=O)(O)O)O)F; C[C]1(F)CN([C H]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N= C1N; O=P(O)(O)OCC1OC(CC1O)N1CC(C)(F)C(N) =NC1=O; C[C@]1(F)CN([C@H]2C[C@H](O)[C@@H ](CO[P](O)(O)=O)O2)C(=O)N=C1N |
2'-deoxy-5-fluoro-5-methyl-5,6-dihydrocytidine 5'-(dihydrogen phosphate) |
| 14426 |  A1BT9 |
5 | C27 H28 N4 S | InChI=1S/C27H28N4S/c28-18 -24-17-23(21-7-2-1-3-8-21 )12-11-22(24)13-14-30-19- 20-6-4-9-25(16-20)31-27(2 9)26-10-5-15-32-26/h1-12, 15-17,30H,13-14,18-19,28H 2,(H2,29,31); KUDFPQMUHWPRNK-UHFFFAOYSA-N |
NCc1cc(ccc1CCNCc2cccc(NC(=N)c3sccc3)c2)c 4ccccc4; NCc1cc(ccc1CCNCc1cc(ccc1)NC(=N) c1cccs1)c1ccccc1; c1ccc(cc1)c2ccc(c(c2)C N)CCNCc3cccc(c3)NC(=N)c4cccs4; [H]/N=C(\ c1cccs1)/Nc2cccc(c2)CNCCc3ccc(cc3CN)c4cc ccc4 |
N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}thiophene-2-carboximidamide |
| 14427 |  A1BTB |
1 | C21 H30 N4 O3 | InChI=1S/C21H30N4O3/c1-16 -7-5-9-18(13-16)25(15-19( 26)23-10-3-2-4-11-23)21(2 8)24-12-6-8-17(14-24)20(2 2)27/h5,7,9,13,17H,2-4,6, 8,10-12,14-15H2,1H3,(H2,2 2,27)/t17-/m0/s1; WURIVKYKRXTGMF-KRWDZBQOSA-N |
Cc1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCC[C @@H](C3)C(N)=O; Cc1cccc(c1)N(CC(=O)N2CCC CC2)C(=O)N3CCCC(C3)C(=O)N; O=C(N(CC(=O)N 1CCCCC1)c1cc(C)ccc1)N1CCCC(C1)C(N)=O; Cc 1cccc(c1)N(CC(=O)N2CCCCC2)C(=O)N3CCC[CH] (C3)C(N)=O; Cc1cccc(c1)N(CC(=O)N2CCCCC2) C(=O)N3CCC[C@@H](C3)C(=O)N |
(3S)-N~1~-(3-methylphenyl)-N~1~-[2-oxo-2-(piperidin-1-yl)ethyl]piperidine-1,3-dicarboxamide |
| 14428 |  A1BTC |
1 | C14 H19 N3 O3 | InChI=1S/C14H19N3O3/c1-20 -12-5-3-2-4-10(12)8-13(18 )17-7-6-16-11(9-17)14(15) 19/h2-5,11,16H,6-9H2,1H3, (H2,15,19)/t11-/m0/s1; DRNIUJKTSBJJIK-NSHDSACASA-N |
COc1ccccc1CC(=O)N2CCNC(C2)C(=O)N; O=C(Cc 1ccccc1OC)N1CC(NCC1)C(N)=O; COc1ccccc1CC (=O)N2CCN[C@@H](C2)C(N)=O; COc1ccccc1CC( =O)N2CCN[C@@H](C2)C(=O)N; COc1ccccc1CC(= O)N2CCN[CH](C2)C(N)=O |
(2S)-4-[(2-methoxyphenyl)acetyl]piperazine-2-carboxamide |
| 14429 |  A1BTD |
1 | C13 H16 N2 O3 | InChI=1S/C13H16N2O3/c1-18 -11-5-3-2-4-9(11)7-15-8-1 0(13(14)17)6-12(15)16/h2- 5,10H,6-8H2,1H3,(H2,14,17 )/t10-/m0/s1; OROYSOLBVZCRAY-JTQLQIEISA-N |
COc1ccccc1CN2C[C@H](CC2=O)C(=O)N; COc1cc ccc1CN2C[CH](CC2=O)C(N)=O; NC(=O)C1CC(=O )N(Cc2ccccc2OC)C1; COc1ccccc1CN2C[C@H](C C2=O)C(N)=O; COc1ccccc1CN2CC(CC2=O)C(=O) N |
(3S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| 14430 |  A1BTF |
1 | C16 H16 N2 O2 | InChI=1S/C16H16N2O2/c1-10 -7-8-12(9-13(10)15(17)19) 16(20)18-14-6-4-3-5-11(14 )2/h3-9H,1-2H3,(H2,17,19) (H,18,20); MQPWOZBWSFDFOW-UHFFFAOYSA-N |
Cc1ccccc1NC(=O)c2ccc(c(c2)C(=O)N)C; Cc1c cccc1NC(=O)c2ccc(C)c(c2)C(N)=O; O=C(Nc1c cccc1C)c1ccc(C)c(c1)C(N)=O |
4-methyl-N~1~-(2-methylphenyl)benzene-1,3-dicarboxamide |
| 14431 |  A1BTG |
2 | C16 H22 N2 O4 | InChI=1S/C16H22N2O4/c1-21 -13-8-4-3-7-12(13)14(22-2 )16(20)18-9-5-6-11(10-18) 15(17)19/h3-4,7-8,11,14H, 5-6,9-10H2,1-2H3,(H2,17,1 9)/t11-,14-/m0/s1; SGKREISFYQPEPI-FZMZJTMJSA-N |
O=C(C(OC)c1ccccc1OC)N1CCCC(C1)C(N)=O; CO [C@@H](C(=O)N1CCC[C@@H](C1)C(N)=O)c2cccc c2OC; COc1ccccc1C(C(=O)N2CCCC(C2)C(=O)N) OC; COc1ccccc1[C@H](C(=O)N2CCC[C@@H](C2) C(=O)N)OC; CO[CH](C(=O)N1CCC[CH](C1)C(N) =O)c2ccccc2OC |
(3S)-1-[(2S)-2-methoxy-2-(2-methoxyphenyl)acetyl]piperidine-3-carboxamide |
| 14432 |  A1BTH |
1 | C13 H16 F N3 O2 | InChI=1S/C13H16FN3O2/c14- 10-5-1-2-6-11(10)16-13(19 )17-7-3-4-9(8-17)12(15)18 /h1-2,5-6,9H,3-4,7-8H2,(H 2,15,18)(H,16,19)/t9-/m0/ s1; SIJSHILCUHKBHW-VIFPVBQESA-N |
O=C(Nc1ccccc1F)N1CCCC(C1)C(N)=O; NC(=O)[ CH]1CCCN(C1)C(=O)Nc2ccccc2F; c1ccc(c(c1) NC(=O)N2CCC[C@@H](C2)C(=O)N)F; c1ccc(c(c 1)NC(=O)N2CCCC(C2)C(=O)N)F; NC(=O)[C@H]1 CCCN(C1)C(=O)Nc2ccccc2F |
(3S)-N~1~-(2-fluorophenyl)piperidine-1,3-dicarboxamide |
| 14433 |  A1BTI |
2 | C16 H22 N2 O3 | InChI=1S/C16H22N2O3/c1-21 -14-8-3-2-6-12(14)10-15(1 9)18-9-5-4-7-13(11-18)16( 17)20/h2-3,6,8,13H,4-5,7, 9-11H2,1H3,(H2,17,20)/t13 -/m0/s1; WNIBIMVZSUHHEM-ZDUSSCGKSA-N |
COc1ccccc1CC(=O)N2CCCCC(C2)C(=O)N; COc1c cccc1CC(=O)N2CCCC[CH](C2)C(N)=O; COc1ccc cc1CC(=O)N2CCCC[C@@H](C2)C(=O)N; O=C(Cc1 ccccc1OC)N1CCCCC(C1)C(N)=O; COc1ccccc1CC (=O)N2CCCC[C@@H](C2)C(N)=O |
(3S)-1-[(2-methoxyphenyl)acetyl]azepane-3-carboxamide |
| 14434 |  A1BTJ |
1 | C15 H17 N5 O | InChI=1S/C15H17N5O/c1-19- 9-11(17-10-19)7-8-16-15(2 1)14-12-5-3-4-6-13(12)20( 2)18-14/h3-6,9-10H,7-8H2, 1-2H3,(H,16,21); NQHLIPQTOQIZAL-UHFFFAOYSA-N |
Cn1cnc(CCNC(=O)c2nn(C)c3ccccc23)c1; Cn1c c(nc1)CCNC(=O)c1nn(C)c2ccccc21; Cn1cc(nc 1)CCNC(=O)c2c3ccccc3n(n2)C |
1-methyl-N-[2-(1-methyl-1H-imidazol-4-yl)ethyl]-1H-indazole-3-carboxamide |
| 14435 |  A1BTK |
1 | C16 H18 N6 O | InChI=1S/C16H18N6O/c1-10- 3-4-12-11(9-18-21(12)2)15 (10)19-14-6-8-22(20-14)13 -5-7-17-16(13)23/h3-4,6,8 -9,13H,5,7H2,1-2H3,(H,17, 23)(H,19,20); IQCXYYIXAUMMTK-UHFFFAOYSA-N |
Cn1ncc2c(Nc3ccn(n3)[CH]4CCNC4=O)c(C)ccc1 2; Cc1ccc2c(c1Nc3ccn(n3)[C@H]4CCNC4=O)cn n2C; Cn1ncc2c(Nc3ccn(n3)[C@H]4CCNC4=O)c( C)ccc12; Cc1ccc2c(c1Nc3ccn(n3)C4CCNC4=O) cnn2C; Cc1ccc2n(C)ncc2c1Nc1ccn(n1)C1CCNC 1=O |
(3R)-3-{3-[(1,5-dimethyl-1H-indazol-4-yl)amino]-1H-pyrazol-1-yl}pyrrolidin-2-one |
| 14436 |  A1BTM |
1 | C15 H14 Cl N3 O3 S | InChI=1S/C15H14ClN3O3S/c1 6-11-6-12(23-9-11)8-18-5- 3-13(20)19(15(18)22)7-10- 2-1-4-17-14(10)21/h1-2,4, 6,9H,3,5,7-8H2,(H,17,21); CFFQNGKRYYJCIS-UHFFFAOYSA-N |
Clc1cc(CN2CCC(=O)N(CC3=CC=CNC3=O)C2=O)sc 1; c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3= O)Cl; Clc1csc(CN2CCC(=O)N(CC3=CC=CNC3=O) C2=O)c1 |
1-[(4-chlorothiophen-2-yl)methyl]-3-[(2-oxo-1,2-dihydropyridin-3-yl)methyl]-1,3-diazinane-2,4-dione |
| 14437 |  A1BTN |
2 | C25 H15 Cl N6 O2 | InChI=1S/C25H15ClN6O2/c26 -17-8-5-7-15(12-17)22-23( 32-20-11-4-3-10-19(20)29- 30-32)24(33)31(25(34)28-2 2)21-14-27-13-16-6-1-2-9- 18(16)21/h1-14H,(H,28,34); ATYIYODGVCBLNF-UHFFFAOYSA-N |
Clc1cccc(c1)C=1NC(=O)N(c2cncc3ccccc32)C( =O)C=1n1nnc2ccccc21; Clc1cccc(c1)C2=C(n3 nnc4ccccc34)C(=O)N(C(=O)N2)c5cncc6ccccc5 6; c1ccc2c(c1)cncc2N3C(=O)C(=C(NC3=O)c4c ccc(c4)Cl)n5c6ccccc6nn5 |
(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)pyrimidine-2,4(1H,3H)-dione |
| 14438 |  A1BTO |
1 | C28 H17 Cl N6 O2 | InChI=1S/C28H17ClN6O2/c1- 2-14-33-25(18-9-7-10-20(2 9)15-18)26(35-23-13-6-5-1 2-22(23)31-32-35)27(36)34 (28(33)37)24-17-30-16-19- 8-3-4-11-21(19)24/h1,3-13 ,15-17H,14H2; ZAWYJTRWMXCCSD-UHFFFAOYSA-N |
C#CCN1C(=C(C(=O)N(C1=O)c2cncc3c2cccc3)n4 c5ccccc5nn4)c6cccc(c6)Cl; Clc1cccc(c1)C2 =C(n3nnc4ccccc34)C(=O)N(C(=O)N2CC#C)c5cn cc6ccccc56; Clc1cccc(c1)C=1N(CC#C)C(=O)N (c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21 |
(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione |
| 14439 |  A1BTP |
1 | C23 H18 N6 O2 | InChI=1S/C23H18N6O2/c1-3- 12-27-15(2)21(29-19-11-7- 6-10-18(19)25-26-29)22(30 )28(23(27)31)20-14-24-13- 16-8-4-5-9-17(16)20/h3-11 ,13-14H,1,12H2,2H3; XABRTHMDLNMZPM-UHFFFAOYSA-N |
CC=1N(CC=C)C(=O)N(c2cncc3ccccc32)C(=O)C= 1n1nnc2ccccc21; CC1=C(C(=O)N(C(=O)N1CC=C )c2cncc3c2cccc3)n4c5ccccc5nn4; CC1=C(n2n nc3ccccc23)C(=O)N(C(=O)N1CC=C)c4cncc5ccc cc45 |
(3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione; (3M,5P)-5-(1H-1,2,3-benzotriazol-1-yl)-3-(isoquinolin-4-yl)-6-methyl-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione, bound form |
| 14440 |  A1BTR |
2 | C36 H40 F N8 O14 P2 | InChI=1S/C36H39FN8O14P2/c 37-22-3-1-19(2-4-22)21-9- 12-44(27(46)13-21)23-5-6- 24(39-14-23)20-7-10-43(11 -8-20)35-31(49)29(47)25(5 7-35)15-55-60(51,52)59-61 (53,54)56-16-26-30(48)32( 50)36(58-26)45-18-42-28-3 3(38)40-17-41-34(28)45/h1 -8,10-11,14,17-18,21,25-2 6,29-32,35-36,47-50H,9,12 -13,15-16H2,(H3-,38,40,41 ,51,52,53,54)/p+1/t21-,25 +,26+,29+,30+,31+,32+,35+ ,36+/m0/s1; YXMWUEIFXJCCGP-GWXVEVFSSA-O |
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(= O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@ H]4O)[n+]5ccc(cc5)c6ccc(cn6)N7CC[C@@H](C C7=O)c8ccc(F)cc8)[C@@H](O)[C@H]3O; c1cc( ccc1[C@H]2CCN(C(=O)C2)c3ccc(nc3)c4cc[n+] (cc4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O )(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H] (O6)n7cnc8c7ncnc8N)O)O)O)O)F; c1cc(ccc1C 2CCN(C(=O)C2)c3ccc(nc3)c4cc[n+](cc4)C5C( C(C(O5)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n 7cnc8c7ncnc8N)O)O)O)O)F; Nc1ncnc2n(cnc12 )[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH ]4O[CH]([CH](O)[CH]4O)[n+]5ccc(cc5)c6ccc (cn6)N7CC[CH](CC7=O)c8ccc(F)cc8)[CH](O)[ CH]3O; Fc1ccc(cc1)C1CC(=O)N(CC1)c1ccc(nc 1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)O CC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(4~{S})-4-(4-fluorophenyl)-2-oxidanylidene-piperidin-1-yl]pyridin-2-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 14441 |  A1BTS |
2 | C23 H25 Cl F N4 O12 P2 | InChI=1S/C23H24ClFN4O12P2 /c24-14-2-1-13(9-15(14)25 )17-5-8-29(23(32)40-17)19 -10-16(26-27-19)12-3-6-28 (7-4-12)22-21(31)20(30)18 (39-22)11-38-43(36,37)41- 42(33,34)35/h1-4,6-7,9-10 ,17-18,20-22,30-31H,5,8,1 1H2,(H3,33,34,35,36,37)/p +1/t17-,18-,20-,21-,22-/m 1/s1; IMLHYMVLERKGPF-ISMARYCFSA-O |
c1cc(c(cc1C2CCN(C(=O)O2)c3cc(n[nH]3)c4cc [n+](cc4)C5C(C(C(O5)COP(=O)(O)OP(=O)(O)O )O)O)F)Cl; Clc1ccc(cc1F)C1OC(=O)N(CC1)c1 cc(n[NH]1)c1cc[n+](cc1)C1OC(COP(=O)(O)OP (=O)(O)O)C(O)C1O; O[C@H]1[C@@H](O)[C@@H] (O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)[n+]2c cc(cc2)c3cc([nH]n3)N4CC[C@@H](OC4=O)c5cc c(Cl)c(F)c5; c1cc(c(cc1[C@H]2CCN(C(=O)O2 )c3cc(n[nH]3)c4cc[n+](cc4)[C@H]5[C@@H]([ C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)O)O)O) F)Cl; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(= O)O[P](O)(O)=O)[n+]2ccc(cc2)c3cc([nH]n3) N4CC[CH](OC4=O)c5ccc(Cl)c(F)c5 |
[(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(6~{R})-6-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-1,3-oxazinan-3-yl]-1~{H}-pyrazol-3-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate |
| 14442 |  A1BTU |
6 | C23 H17 N3 O3 S | InChI=1S/C23H17N3O3S/c24- 15-16-8-9-18-17(14-16)4-3 -7-19(18)29-21-6-2-1-5-20 (21)28-13-12-26-11-10-22( 30)25-23(26)27/h1-11,14H, 12-13H2,(H,25,27,30); MADLNJACUUKLRV-UHFFFAOYSA-N |
N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1C=CC(=S )NC1=O; O=C1NC(=S)C=CN1CCOc2ccccc2Oc3ccc c4cc(ccc34)C#N; c1ccc(c(c1)OCCN2C=CC(=S) NC2=O)Oc3cccc4c3ccc(c4)C#N |
5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile |
| 14443 |  A1BTV |
5 | C23 H23 N7 S2 | InChI=1S/C23H23N7S2/c24-2 0(22-27-10-12-31-22)29-18 -6-4-16(5-7-18)8-9-26-15- 17-2-1-3-19(14-17)30-21(2 5)23-28-11-13-32-23/h1-7, 10-14,26H,8-9,15H2,(H2,24 ,29)(H2,25,30); PUUAGBWXELPIEB-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=N)c2nccs2)CNCCc3ccc(cc3)N C(=N)c4nccs4; N=C(Nc1ccc(CCNCc2cccc(NC(= N)c3sccn3)c2)cc1)c4sccn4; [H]/N=C(\c1ncc s1)/Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N\[H]) /c4nccs4; N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)N C(=N)c1nccs1)c1nccs1 |
N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide |
| 14444 |  A1BTW |
5 | C26 H27 N5 S | InChI=1S/C26H27N5S/c27-15 -23-14-22(20-6-2-1-3-7-20 )10-9-21(23)11-12-29-16-1 9-5-4-8-24(13-19)31-26(28 )25-17-30-18-32-25/h1-10, 13-14,17-18,29H,11-12,15- 16,27H2,(H2,28,31); PNPNXQZLXLOQCO-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(c(c2)CN)CCNCc3cccc(c3)NC (=N)c4cncs4; [H]/N=C(\c1cncs1)/Nc2cccc(c 2)CNCCc3ccc(cc3CN)c4ccccc4; NCc1cc(ccc1C CNCc1cc(ccc1)NC(=N)c1cncs1)c1ccccc1; NCc 1cc(ccc1CCNCc2cccc(NC(=N)c3scnc3)c2)c4cc ccc4 |
N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}-1,3-thiazole-5-carboximidamide |
| 14445 |  A1BTX |
5 | C23 H23 N7 S2 | InChI=1S/C23H23N7S2/c24-2 2(20-12-27-14-31-20)29-18 -5-1-3-16(9-18)7-8-26-11- 17-4-2-6-19(10-17)30-23(2 5)21-13-28-15-32-21/h1-6, 9-10,12-15,26H,7-8,11H2,( H2,24,29)(H2,25,30); SZSIFQHTAHJELX-UHFFFAOYSA-N |
N=C(Nc1cccc(CCNCc2cccc(NC(=N)c3scnc3)c2) c1)c4scnc4; N=C(Nc1cccc(c1)CCNCc1cc(ccc1 )NC(=N)c1cncs1)c1cncs1; c1cc(cc(c1)NC(=N )c2cncs2)CCNCc3cccc(c3)NC(=N)c4cncs4; [H ]/N=C(/c1cncs1)\Nc2cccc(c2)CCNCc3cccc(c3 )N/C(=N/[H])/c4cncs4 |
N-[3-({[2-(3-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide |
| 14446 |  A1BTY |
11 | C25 H25 N5 O2 | InChI=1S/C25H25N5O2/c26-2 4(22-6-2-14-31-22)29-20-1 0-8-18(9-11-20)12-13-28-1 7-19-4-1-5-21(16-19)30-25 (27)23-7-3-15-32-23/h1-11 ,14-16,28H,12-13,17H2,(H2 ,26,29)(H2,27,30); GNFGEHHGBYVPGG-UHFFFAOYSA-N |
N=C(Nc1ccc(cc1)CCNCc1cc(ccc1)NC(=N)c1ccc o1)c1ccco1; N=C(Nc1ccc(CCNCc2cccc(NC(=N) c3occc3)c2)cc1)c4occc4; c1cc(cc(c1)NC(=N )c2ccco2)CNCCc3ccc(cc3)NC(=N)c4ccco4; [H ]/N=C(\c1ccco1)/Nc2ccc(cc2)CCNCc3cccc(c3 )N/C(=N/[H])/c4ccco4 |
N-[3-({[2-(4-{[(E)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide |
| 14447 |  A1BTZ |
0 | C4 H10 N O5 P | InChI=1S/C4H10NO5P/c5-4(1 -6)2-9-11(7,8)10-3-4/h6H, 1-3,5H2,(H,7,8); GYRKLTGURDVUJC-UHFFFAOYSA-N |
NC1(CO)CO[P](O)(=O)OC1; C1C(COP(=O)(O1)O )(CO)N; NC1(COP(=O)(O)OC1)CO |
(2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one |
| 14448 |  A1BU0 |
3 | C18 H13 F N2 O3 | InChI=1S/C18H13FN2O3/c19- 13-7-5-12(6-8-13)17(22)15 -3-1-2-4-16(15)18(23)20-9 -14-10-24-11-21-14/h1-8,1 0-11H,9H2,(H,20,23); QTDCKWIZIKSRCI-UHFFFAOYSA-N |
Fc1ccc(cc1)C(=O)c2ccccc2C(=O)NCc3cocn3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCc3coc n3; O=C(NCc1cocn1)c1ccccc1C(=O)c1ccc(F)c c1 |
2-(4-fluorobenzoyl)-N-[(1,3-oxazol-4-yl)methyl]benzamide |
| 14449 |  A1BU1 |
1 | C20 H19 F O5 | InChI=1S/C20H19FO5/c21-15 -7-5-14(6-8-15)19(23)17-3 -1-2-4-18(17)20(24)26-12- 16-9-13(10-22)11-25-16/h1 -8,13,16,22H,9-12H2/t13-, 16+/m1/s1; QZNGZKSNLLXUDP-CJNGLKHVSA-N |
c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[C@@H ]3C[C@@H](CO3)CO; OCC1CC(COC(=O)c2ccccc2 C(=O)c2ccc(F)cc2)OC1; OC[C@@H]1CO[C@H](C OC(=O)c2ccccc2C(=O)c3ccc(F)cc3)C1; c1ccc (c(c1)C(=O)c2ccc(cc2)F)C(=O)OCC3CC(CO3)C O; OC[CH]1CO[CH](COC(=O)c2ccccc2C(=O)c3c cc(F)cc3)C1 |
1,4-anhydro-2,3-dideoxy-5-O-[2-(4-fluorobenzoyl)benzoyl]-2-(hydroxymethyl)-D-threo-pentitol |
| 14450 |  A1BU2 |
2 | C19 H21 F N2 O2 | InChI=1S/C19H21FN2O2/c1-2 -21-12-5-13-22-19(24)17-7 -4-3-6-16(17)18(23)14-8-1 0-15(20)11-9-14/h3-4,6-11 ,21H,2,5,12-13H2,1H3,(H,2 2,24); NSKBJHORKWYVKJ-UHFFFAOYSA-N |
CCNCCCNC(=O)c1ccccc1C(=O)c2ccc(F)cc2; O= C(c1ccc(F)cc1)c1ccccc1C(=O)NCCCNCC; CCNC CCNC(=O)c1ccccc1C(=O)c2ccc(cc2)F |
N-[3-(ethylamino)propyl]-2-(4-fluorobenzoyl)benzamide |
| 14451 |  A1BU3 |
5 | C21 H22 F N3 O | InChI=1S/C21H22FN3O/c1-12 -6-21(24)25-19-9-17(18(22 )8-16(12)19)14-4-5-20(15( 7-14)10-23)26-11-13-2-3-1 3/h4-9,13H,2-3,10-11,23H2 ,1H3,(H2,24,25); RZKMSTBKXJRLJH-UHFFFAOYSA-N |
Cc1cc(nc2c1cc(c(c2)c3ccc(c(c3)CN)OCC4CC4 )F)N; Cc1cc(N)nc2cc(c(F)cc12)c3ccc(OCC4C C4)c(CN)c3; NCc1cc(ccc1OCC1CC1)c1cc2nc(N )cc(C)c2cc1F |
(7P)-7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-6-fluoro-4-methylquinolin-2-amine |
| 14452 |  A1BU4 |
2 | C15 H19 N O2 | InChI=1S/C15H19NO2/c1-15( 2,3)14(17)16-9-10-8-12(16 )11-6-4-5-7-13(11)18-10/h 4-7,10,12H,8-9H2,1-3H3/t1 0-,12-/m0/s1; LZCKPUWPOIYQKP-JQWIXIFHSA-N |
CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1c3ccccc3O2 ; CC(C)(C)C(=O)N1CC2CC1c3ccccc3O2; CC(C) (C)C(=O)N1CC2CC1c1ccccc1O2; CC(C)(C)C(=O )N1C[CH]2C[CH]1c3ccccc3O2 |
1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-2,2-dimethylpropan-1-one |
| 14453 |  A1BU5 |
2 | C15 H15 F2 N3 O2 | InChI=1S/C15H15F2N3O2/c1- 15(2,13(16)17)14(21)20-7- 9-3-11(20)10-6-19-5-8(4-1 8)12(10)22-9/h5-6,9,11,13 H,3,7H2,1-2H3/t9-,11-/m0/ s1; SZIVRWFIJWGRAP-ONGXEEELSA-N |
CC(C)(C(F)F)C(=O)N1C[C@@H]2C[C@H]1c3cncc (c3O2)C#N; CC(C)(C(F)F)C(=O)N1C[C@@H]2C[ C@H]1c3cncc(C#N)c3O2; FC(F)C(C)(C)C(=O)N 1CC2CC1c1cncc(C#N)c1O2; CC(C)(C(F)F)C(=O )N1CC2CC1c3cncc(c3O2)C#N; CC(C)(C(F)F)C( =O)N1C[CH]2C[CH]1c3cncc(C#N)c3O2 |
(2S,5S)-4-(3,3-difluoro-2,2-dimethylpropanoyl)-2,3,4,5-tetrahydro-2,5-methanopyrido[3,4-f][1,4]oxazepine-9-carbonitrile |
| 14454 |  A1BU6 |
2 | C15 H17 F2 N O2 | InChI=1S/C15H17F2NO2/c1-1 5(2,13(16)17)14(19)18-8-9 -7-11(18)10-5-3-4-6-12(10 )20-9/h3-6,9,11,13H,7-8H2 ,1-2H3/t9-,11-/m0/s1; ZVQGTLXCDJQCBC-ONGXEEELSA-N |
FC(F)C(C)(C)C(=O)N1CC2CC1c1ccccc1O2; CC( C)(C(F)F)C(=O)N1CC2CC1c3ccccc3O2; CC(C)( C(F)F)C(=O)N1C[C@@H]2C[C@H]1c3ccccc3O2; CC(C)(C(F)F)C(=O)N1C[CH]2C[CH]1c3ccccc3O 2 |
1-[(2S,5S)-2,3-dihydro-2,5-methano-1,4-benzoxazepin-4(5H)-yl]-3,3-difluoro-2,2-dimethylpropan-1-one |
| 14455 |  A1BU7 |
2 | C36 H42 Cl F N7 O14 P2 | InChI=1S/C36H41ClFN7O14P2 /c37-21-2-1-18(9-22(21)38 )19-3-8-45(25(46)10-19)36 -13-35(14-36,15-36)20-4-6 -43(7-5-20)33-29(49)27(47 )23(57-33)11-55-60(51,52) 59-61(53,54)56-12-24-28(4 8)30(50)34(58-24)44-17-42 -26-31(39)40-16-41-32(26) 44/h1-2,4-7,9,16-17,19,23 -24,27-30,33-34,47-50H,3, 8,10-15H2,(H3-,39,40,41,5 1,52,53,54)/p+1/t19-,23+, 24+,27+,28+,29+,30+,33+,3 4+,35-,36+/m0/s1; MOFVGPYVZJGLNR-PXGPZXLQSA-O |
c1cc(c(cc1C2CCN(C(=O)C2)C34CC(C3)(C4)c5c c[n+](cc5)C6C(C(C(O6)COP(=O)(O)OP(=O)(O) OCC7C(C(C(O7)n8cnc9c8ncnc9N)O)O)O)O)F)Cl ; Clc1ccc(cc1F)C1CC(=O)N(CC1)C12CC(C1)(C 2)c1cc[n+](cc1)C1OC(COP(=O)(O)OP(=O)(O)O CC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O; c1cc(c(cc1[C@H]2CCN(C(=O)C2)C34CC(C3)(C4 )c5cc[n+](cc5)[C@H]6[C@@H]([C@@H]([C@H]( O6)COP(=O)(O)OP(=O)(O)OC[C@@H]7[C@H]([C@ H]([C@@H](O7)n8cnc9c8ncnc9N)O)O)O)O)F)Cl ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O) (=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C @@H]4O)[n+]5ccc(cc5)C67CC(C6)(C7)N8CC[C@ @H](CC8=O)c9ccc(Cl)c(F)c9)[C@@H](O)[C@H] 3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)( =O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O )[n+]5ccc(cc5)C67CC(C6)(C7)N8CC[CH](CC8= O)c9ccc(Cl)c(F)c9)[CH](O)[CH]3O |
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[3-[(4~{S})-4-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-piperidin-1-yl]-1-bicyclo[1.1.1]pentanyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
| 14456 |  A1BU8 |
1 | C14 H17 N5 | InChI=1S/C14H17N5/c1-18-6 -8-19(9-7-18)14-10-13(11- 16-17-14)12-2-4-15-5-3-12 /h2-5,10-11H,6-9H2,1H3; ABRBOSKOXBQLEU-UHFFFAOYSA-N |
CN1CCN(CC1)c1nncc(c1)c1ccncc1; CN1CCN(CC 1)c2cc(cnn2)c3ccncc3 |
3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine |
| 14457 |  A1BU9 CHEMBL4759626 |
2 | C25 H25 N3 O5 S | InChI=1S/C25H25N3O5S/c1-3 1-18-4-5-20-19(11-18)15(8 -9-26-20)3-7-24-32-12-17( 13-33-24)27-25(30)16-2-6- 22-21(10-16)28-23(29)14-3 4-22/h2,4-6,8-11,17,24H,3 ,7,12-14H2,1H3,(H,27,30)( H,28,29)/t17-,24?; RXPOVSSVBGRCOL-MQPWLDEHSA-N |
COc1ccc2nccc(CC[C@@H]3OC[C@H](CO3)NC(=O) c4ccc5SCC(=O)Nc5c4)c2c1; COc1ccc2nccc(CC [CH]3OC[CH](CO3)NC(=O)c4ccc5SCC(=O)Nc5c4 )c2c1; COc1cc2c(cc1)nccc2CCC1OCC(CO1)NC( =O)c1ccc2SCC(=O)Nc2c1; COc1ccc2c(c1)c(cc n2)CCC3OCC(CO3)NC(=O)c4ccc5c(c4)NC(=O)CS 5 |
N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| 14458 |  A1BUA CHEMBL1374001 |
2 | C14 H20 N2 O2 | InChI=1S/C14H20N2O2/c1-10 -13(11(2)18-16-10)14(17)1 5-9-8-12-6-4-3-5-7-12/h6H ,3-5,7-9H2,1-2H3,(H,15,17 ); CDMDKICUIFSGRO-UHFFFAOYSA-N |
Cc1onc(C)c1C(=O)NCCC2=CCCCC2; Cc1c(c(on1 )C)C(=O)NCCC2=CCCCC2; Cc1onc(C)c1C(=O)NC CC1=CCCCC1 |
N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| 14459 |  A1BUB CHEMBL1650625 |
2 | C8 H8 O3 | InChI=1S/C8H8O3/c1-5-2-3- 6(8(10)11)7(9)4-5/h2-4,9H ,1H3,(H,10,11); NJESAXZANHETJV-UHFFFAOYSA-N |
Cc1ccc(c(c1)O)C(=O)O; OC(=O)c1ccc(C)cc1O ; Cc1ccc(C(O)=O)c(O)c1 |
2-hydroxy-4-methylbenzoic acid; 4-methyl salicylic acid |
| 14460 |  A1BUC |
6 | C56 H68 Cl F2 N15 O7 | InChI=1S/C56H68ClF2N15O7/ c1-60-47(75)32-81-46-25-3 5-23-37(26-45(80-5)49(35) 69(4)54(46)78)65-51-42(57 )29-63-55(66-51)71-18-11- 33(12-19-71)53(77)62-16-7 -6-10-48(76)70-20-13-38(1 4-21-70)74-43-15-22-72(56 (79)61-2)31-41(43)52(67-7 4)73-17-8-9-34-24-39(36-2 8-64-68(3)30-36)40(50(58) 59)27-44(34)73/h23-30,33, 38,50H,6-22,31-32H2,1-5H3 ,(H,60,75)(H,61,79)(H,62, 77)(H,63,65,66); GWSPREFNOSPUJZ-UHFFFAOYSA-N |
CNC(=O)COC1=Cc2cc(cc(c2N(C1=O)C)OC)Nc3c( cnc(n3)N4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC 5)n6c7c(c(n6)N8CCCc9c8cc(c(c9)c1cnn(c1)C )C(F)F)CN(CC7)C(=O)NC)Cl; CNC(=O)COC1=Cc 2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC( CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(C Cc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21 )C(F)F; CNC(=O)COC1=Cc2cc(Nc3nc(ncc3Cl)N 4CCC(CC4)C(=O)NCCCCC(=O)N5CCC(CC5)n6nc(N 7CCCc8cc(c9cnn(C)c9)c(cc78)C(F)F)c%10CN( CCc6%10)C(=O)NC)cc(OC)c2N(C)C1=O |
1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
| 14461 |  A1BUD |
9 | C17 H16 F N3 | InChI=1S/C17H16FN3/c1-10- 5-17(20)21-16-8-14(15(18) 7-13(10)16)12-4-2-3-11(6- 12)9-19/h2-8H,9,19H2,1H3, (H2,20,21); OGRNQPGTGYGULL-UHFFFAOYSA-N |
NCc1cccc(c1)c1cc2nc(N)cc(C)c2cc1F; Cc1cc (nc2c1cc(c(c2)c3cccc(c3)CN)F)N; Cc1cc(N) nc2cc(c(F)cc12)c3cccc(CN)c3 |
(7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine |
| 14462 |  A1BUF |
9 | C17 H16 F N3 O | InChI=1S/C17H16FN3O/c1-9- 4-17(20)21-15-7-13(14(18) 6-12(9)15)11-3-2-10(8-19) 5-16(11)22/h2-7,22H,8,19H 2,1H3,(H2,20,21); HSYNPKNGWVSVIB-UHFFFAOYSA-N |
Cc1cc(nc2c1cc(c(c2)c3ccc(cc3O)CN)F)N; Cc 1cc(N)nc2cc(c(F)cc12)c3ccc(CN)cc3O; NCc1 ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1 |
(2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol |
| 14463 |  A1BUG |
2 | C20 H18 O2 | InChI=1S/C20H18O2/c1-20(1 5-5-3-2-4-6-15,16-7-11-18 (21)12-8-16)17-9-13-19(22 )14-10-17/h2-14,21-22H,1H 3; VOWWYDCFAISREI-UHFFFAOYSA-N |
CC(c1ccccc1)(c2ccc(O)cc2)c3ccc(O)cc3; CC (c1ccc(O)cc1)(c1ccccc1)c1ccc(O)cc1; CC(c 1ccccc1)(c2ccc(cc2)O)c3ccc(cc3)O |
4,4'-(1-phenylethane-1,1-diyl)diphenol |
| 14464 |  A1BUH |
9 | C18 H18 F N3 O | InChI=1S/C18H18FN3O/c1-10 -6-18(21)22-16-9-14(15(19 )8-13(10)16)12-3-2-11(4-5 -20)7-17(12)23/h2-3,6-9,2 3H,4-5,20H2,1H3,(H2,21,22 ); VJYLZSYPPRLAQO-UHFFFAOYSA-N |
Cc1cc(nc2c1cc(c(c2)c3ccc(cc3O)CCN)F)N; C c1cc(N)nc2cc(c(F)cc12)c3ccc(CCN)cc3O; NC Cc1ccc(c2cc3nc(N)cc(C)c3cc2F)c(O)c1 |
(2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol |
| 14465 |  A1BUJ CHEMBL2386372 |
1 | C26 H18 Br N3 O6 | InChI=1S/C26H18BrN3O6/c1- 28-21-19(24(31)29(2)26(28 )34)20(13-6-4-3-5-7-13)30 -15-12-14(25(32)33)8-9-16 (15)36-23(22(21)30)17-10- 11-18(27)35-17/h3-12,23H, 1-2H3,(H,32,33)/t23-/m0/s 1; GNHIGSRGYXEQEP-QHCPKHFHSA-N |
CN1C(=O)N(C)c2c3[CH](Oc4ccc(cc4n3c(c5ccc cc5)c2C1=O)C(O)=O)c6oc(Br)cc6; CN1C(=O)N (C)c2c3[C@@H](Oc4ccc(cc4n3c(c5ccccc5)c2C 1=O)C(O)=O)c6oc(Br)cc6; CN1c2c(c(n-3c2C( Oc4c3cc(cc4)C(=O)O)c5ccc(o5)Br)c6ccccc6) C(=O)N(C1=O)C; CN1c2c(c(n-3c2[C@@H](Oc4c 3cc(cc4)C(=O)O)c5ccc(o5)Br)c6ccccc6)C(=O )N(C1=O)C; Brc1ccc(o1)C1Oc2ccc(cc2n2c(c3 ccccc3)c3C(=O)N(C)C(=O)N(C)c3c12)C(=O)O |
(6R,12R)-6-(5-bromofuran-2-yl)-7,9-dimethyl-8,10-dioxo-11-phenyl-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2-carboxylic acid |
| 14466 |  A1BUL |
6 | C39 H34 Cl F8 N7 O5 S2 | InChI=1S/C39H34ClF8N7O5S2 /c1-36(2,61(3,57)58)15-14 -21-10-11-22(23-12-13-26( 40)30-32(23)55(19-37(41,4 2)43)52-35(30)53-62(4,59) 60)31(49-21)27(16-20-8-6- 5-7-9-20)50-28(56)18-54-3 4-29(33(51-54)39(46,47)48 )24-17-25(24)38(34,44)45/ h5-13,24-25,27H,16-19H2,1 -4H3,(H,50,56)(H,52,53)/t 24-,25+,27-/m0/s1; VWUUKSNKCUTDKK-WEWMWRJBSA-N |
CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2ccccc2)NC(= O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F )F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F) Cl)S(=O)(=O)C; CC(C)(C#Cc1ccc(c(n1)[CH]( Cc2ccccc2)NC(=O)Cn3nc(c4[CH]5C[CH]5C(F)( F)c34)C(F)(F)F)c6ccc(Cl)c7c(N[S](C)(=O)= O)nn(CC(F)(F)F)c67)[S](C)(=O)=O; CC(C)(C #Cc1ccc(c(n1)C(Cc2ccccc2)NC(=O)Cn3c4c(c( n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c7c6n(nc7N S(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C; CC(C )(C#Cc1ccc(c(n1)[C@H](Cc2ccccc2)NC(=O)Cn 3nc(c4[C@H]5C[C@H]5C(F)(F)c34)C(F)(F)F)c 6ccc(Cl)c7c(N[S](C)(=O)=O)nn(CC(F)(F)F)c 67)[S](C)(=O)=O; CS(=O)(=O)Nc1nn(CC(F)(F )F)c2c1c(Cl)ccc2c1ccc(C#CC(C)(C)S(C)(=O) =O)nc1C(Cc1ccccc1)NC(=O)Cn1nc(c2c1C(F)(F )C1CC12)C(F)(F)F |
N-[(1S)-1-{(3M)-3-[4-chloro-3-(methanesulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl}-2-phenylethyl]-2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide |
| 14467 |  A1BUN |
1 | C19 H29 N3 O7 | InChI=1S/C19H29N3O7/c1-19 (2,11-23)16(25)17(26)22-7 -6-15(24)21-8-9-29-18(27) 12-4-5-13(20)14(10-12)28- 3/h4-5,10,16,23,25H,6-9,1 1,20H2,1-3H3,(H,21,24)(H, 22,26)/t16-/m0/s1; CNWHTSRGHLDURV-INIZCTEOSA-N |
COc1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)[CH]( O)C(C)(C)CO; Nc1ccc(cc1OC)C(=O)OCCNC(=O) CCNC(=O)C(O)C(C)(C)CO; CC(C)(CO)C(C(=O)N CCC(=O)NCCOC(=O)c1ccc(c(c1)OC)N)O; CC(C) (CO)[C@H](C(=O)NCCC(=O)NCCOC(=O)c1ccc(c( c1)OC)N)O; COc1cc(ccc1N)C(=O)OCCNC(=O)CC NC(=O)[C@H](O)C(C)(C)CO |
2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl 4-amino-3-methoxybenzoate |
| 14468 |  A1BUO |
2 | C19 H20 N6 O S | InChI=1S/C19H20N6OS/c1-11 -18(12(2)25-24-11)15-6-8- 17(23-19(26)13(3)20-4)22- 16(15)7-5-14-9-21-10-27-1 4/h6,8-10,13,20H,1-4H3,(H ,24,25)(H,22,23,26)/t13-/ m1/s1; CFMRAVJLNISPJP-CYBMUJFWSA-N |
Cc1c(c(n[nH]1)C)c2ccc(nc2C#Cc3cncs3)NC(= O)[C@H](C)NC; CC(NC)C(=O)Nc1nc(C#Cc2cncs 2)c(cc1)c1c(C)[NH]nc1C; CN[C@@H](C)C(=O) Nc1ccc(c(n1)C#Cc2scnc2)c3c(C)[nH]nc3C; C N[CH](C)C(=O)Nc1ccc(c(n1)C#Cc2scnc2)c3c( C)[nH]nc3C; Cc1c(c(n[nH]1)C)c2ccc(nc2C#C c3cncs3)NC(=O)C(C)NC |
N-{(5M)-5-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-N~2~-methyl-L-alaninamide |
| 14469 |  A1BUP |
1 | C20 H31 N3 O7 | InChI=1S/C20H31N3O7/c1-4- 29-15-11-13(5-6-14(15)21) 19(28)30-10-9-22-16(25)7- 8-23-18(27)17(26)20(2,3)1 2-24/h5-6,11,17,24,26H,4, 7-10,12,21H2,1-3H3,(H,22, 25)(H,23,27)/t17-/m0/s1; OCQYDVBBQAPQRP-KRWDZBQOSA-N |
CCOc1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)C(C( C)(C)CO)O; CCOc1cc(ccc1N)C(=O)OCCNC(=O)C CNC(=O)[C@H](O)C(C)(C)CO; CCOc1cc(ccc1N) C(=O)OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO; CCO c1cc(ccc1N)C(=O)OCCNC(=O)CCNC(=O)[C@@H]( C(C)(C)CO)O; CCOc1cc(ccc1N)C(=O)OCCNC(=O )CCNC(=O)[CH](O)C(C)(C)CO |
2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl 4-amino-3-ethoxybenzoate |
| 14470 |  A1BUQ |
6 | C9 H6 Cl N O2 | InChI=1S/C9H6ClNO2/c10-5- 1-2-6-7(9(12)13)4-11-8(6) 3-5/h1-4,11H,(H,12,13); WHQHEMBHJZAHSB-UHFFFAOYSA-N |
c1cc2c(cc1Cl)[nH]cc2C(=O)O; O=C(O)c1c[NH ]c2cc(Cl)ccc21; OC(=O)c1c[nH]c2cc(Cl)ccc 12 |
6-chloro-1H-indole-3-carboxylic acid |
| 14471 |  A1BUR |
2 | C10 H12 N2 O3 S | InChI=1S/C10H12N2O3S/c1-1 6(14,15)10-11-8-4-2-3-5-9 (8)12(10)6-7-13/h2-5,13H, 6-7H2,1H3; QRLLHFOSHXFKSX-UHFFFAOYSA-N |
C[S](=O)(=O)c1nc2ccccc2n1CCO; CS(=O)(=O) c1nc2ccccc2n1CCO |
2-[2-(methanesulfonyl)-1H-1,3-benzimidazol-1-yl]ethan-1-ol |
| 14472 |  A1BUS |
1 | C20 H19 F O4 | InChI=1S/C20H19FO4/c1-13- 15(10-11-24-13)12-25-20(2 3)18-5-3-2-4-17(18)19(22) 14-6-8-16(21)9-7-14/h2-9, 13,15H,10-12H2,1H3/t13-,1 5+/m1/s1; POWQEKMIKMMKCE-HIFRSBDPSA-N |
C[C@@H]1[C@@H](CCO1)COC(=O)c2ccccc2C(=O) c3ccc(cc3)F; C[C@H]1OCC[C@H]1COC(=O)c2cc ccc2C(=O)c3ccc(F)cc3; C[CH]1OCC[CH]1COC( =O)c2ccccc2C(=O)c3ccc(F)cc3; CC1C(CCO1)C OC(=O)c2ccccc2C(=O)c3ccc(cc3)F; O=C(OCC1 CCOC1C)c1ccccc1C(=O)c1ccc(F)cc1 |
[(2R,3S)-2-methyloxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate |
| 14473 |  A1BUT |
2 | C15 H19 N O4 | InChI=1S/C15H19NO4/c1-20- 15(19)13-4-2-3-9-16(13)14 (18)12-7-5-11(10-17)6-8-1 2/h5-8,13,17H,2-4,9-10H2, 1H3/t13-/m1/s1; ORTMTMCIWFVMDT-CYBMUJFWSA-N |
COC(=O)[C@H]1CCCCN1C(=O)c2ccc(CO)cc2; O= C(c1ccc(CO)cc1)N1CCCCC1C(=O)OC; COC(=O)C 1CCCCN1C(=O)c2ccc(cc2)CO; COC(=O)[C@H]1C CCCN1C(=O)c2ccc(cc2)CO; COC(=O)[CH]1CCCC N1C(=O)c2ccc(CO)cc2 |
methyl (2R)-1-[4-(hydroxymethyl)benzoyl]piperidine-2-carboxylate |
| 14474 |  A1BUU |
1 | C15 H11 F O3 | InChI=1S/C15H11FO3/c1-19- 15(18)13-5-3-2-4-12(13)14 (17)10-6-8-11(16)9-7-10/h 2-9H,1H3; XVIFFHRWAZWIKN-UHFFFAOYSA-N |
COC(=O)c1ccccc1C(=O)c2ccc(F)cc2; COC(=O) c1ccccc1C(=O)c2ccc(cc2)F; O=C(c1ccc(F)cc 1)c1ccccc1C(=O)OC |
methyl 2-(4-fluorobenzoyl)benzoate |
| 14475 |  A1BUV |
1 | C20 H19 F O4 | InChI=1S/C20H19FO4/c21-16 -9-7-15(8-10-16)19(22)17- 5-1-2-6-18(17)20(23)25-13 -14-4-3-11-24-12-14/h1-2, 5-10,14H,3-4,11-13H2/t14- /m0/s1; CWEAJQKGFNSNKU-AWEZNQCLSA-N |
Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[CH]3CCCO C3; Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H] 3CCCOC3; Fc1ccc(cc1)C(=O)c1ccccc1C(=O)OC C1CCCOC1; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C( =O)OC[C@H]3CCCOC3; c1ccc(c(c1)C(=O)c2ccc (cc2)F)C(=O)OCC3CCCOC3 |
[(3S)-oxan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate |
| 14476 |  A1BUW |
1 | C19 H17 F O4 | InChI=1S/C19H17FO4/c20-15 -7-5-14(6-8-15)18(21)16-3 -1-2-4-17(16)19(22)24-12- 13-9-10-23-11-13/h1-8,13H ,9-12H2/t13-/m0/s1; XQKFWRREXIJMHV-ZDUSSCGKSA-N |
Fc1ccc(cc1)C(=O)c2ccccc2C(=O)OC[C@H]3CCO C3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OC[ C@H]3CCOC3; c1ccc(c(c1)C(=O)c2ccc(cc2)F) C(=O)OCC3CCOC3; Fc1ccc(cc1)C(=O)c2ccccc2 C(=O)OC[CH]3CCOC3; O=C(OCC1CCOC1)c1ccccc 1C(=O)c1ccc(F)cc1 |
[(3S)-oxolan-3-yl]methyl 2-(4-fluorobenzoyl)benzoate |
| 14477 |  A1BUX |
1 | C17 H21 N O4 | InChI=1S/C17H21NO4/c19-16 (13-6-2-1-3-7-13)18-10-5- 4-8-15(18)17(20)22-14-9-1 1-21-12-14/h1-3,6-7,14-15 H,4-5,8-12H2/t14-,15-/m1/ s1; VDKXVYGHWLJSQC-HUUCEWRRSA-N |
O=C(OC1CCOC1)C1CCCCN1C(=O)c1ccccc1; O=C( O[C@@H]1CCOC1)[C@H]2CCCCN2C(=O)c3ccccc3; c1ccc(cc1)C(=O)N2CCCCC2C(=O)OC3CCOC3; c 1ccc(cc1)C(=O)N2CCCC[C@@H]2C(=O)O[C@@H]3 CCOC3; O=C(O[CH]1CCOC1)[CH]2CCCCN2C(=O)c 3ccccc3 |
(3R)-oxolan-3-yl (2R)-1-benzoylpiperidine-2-carboxylate |
| 14478 |  A1BUY |
1 | C18 H16 F N O3 | InChI=1S/C18H16FNO3/c19-1 3-7-5-12(6-8-13)17(21)15- 3-1-2-4-16(15)18(22)20-14 -9-10-23-11-14/h1-8,14H,9 -11H2,(H,20,22)/t14-/m0/s 1; XRPFMKQNIDENOJ-AWEZNQCLSA-N |
O=C(NC1CCOC1)c1ccccc1C(=O)c1ccc(F)cc1; F c1ccc(cc1)C(=O)c2ccccc2C(=O)N[C@H]3CCOC3 ; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NC3CC OC3; Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N[CH]3 CCOC3; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O) N[C@H]3CCOC3 |
2-(4-fluorobenzoyl)-N-[(3S)-oxolan-3-yl]benzamide |
| 14479 |  A1BUZ |
1 | C18 H16 F N O2 | InChI=1S/C18H16FNO2/c19-1 4-9-7-13(8-10-14)17(21)15 -5-1-2-6-16(15)18(22)20-1 1-3-4-12-20/h1-2,5-10H,3- 4,11-12H2; CGIOLKUBBYIIIE-UHFFFAOYSA-N |
Fc1ccc(cc1)C(=O)c2ccccc2C(=O)N3CCCC3; O= C(c1ccccc1C(=O)c1ccc(F)cc1)N1CCCC1; c1cc c(c(c1)C(=O)c2ccc(cc2)F)C(=O)N3CCCC3 |
[2-(4-fluorobenzoyl)phenyl](pyrrolidin-1-yl)methanone |
| 14480 |  A1BV0 |
2 | C28 H36 N6 O2 S | InChI=1S/C28H36N6O2S/c1-4 -18-13-21(15-30-25(18)29) 31-26(35)28(36)34-16-17(2 )5-7-23(34)20-6-8-24-22(1 4-20)32-27(37-24)19-9-11- 33(3)12-10-19/h6,8,13-15, 17,19,23H,4-5,7,9-12,16H2 ,1-3H3,(H2,29,30)(H,31,35 )/t17-,23+/m0/s1; DHAGMIPSRSPWSH-GAJHUEQPSA-N |
CCc1cc(cnc1N)NC(=O)C(=O)N2C[C@H](CC[C@@H ]2c3ccc4c(c3)nc(s4)C5CCN(CC5)C)C; CCc1cc (NC(=O)C(=O)N2C[CH](C)CC[CH]2c3ccc4sc(nc 4c3)C5CCN(C)CC5)cnc1N; CCc1cc(NC(=O)C(=O )N2C[C@@H](C)CC[C@@H]2c3ccc4sc(nc4c3)C5C CN(C)CC5)cnc1N; CCc1cc(cnc1N)NC(=O)C(=O) N1CC(C)CCC1c1cc2nc(sc2cc1)C1CCN(C)CC1; C Cc1cc(cnc1N)NC(=O)C(=O)N2CC(CCC2c3ccc4c( c3)nc(s4)C5CCN(CC5)C)C |
N-(6-amino-5-ethylpyridin-3-yl)-2-{(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl}-2-oxoacetamide; TNG462 |
| 14481 |  A1BV1 |
2 | C23 H26 Cl F N6 O3 | InChI=1S/C23H26ClFN6O3/c1 -2-27-23-28-13-14-12-16(2 2(33)31(21(14)29-23)9-11- 34-10-7-26)15-5-6-17(20(2 5)19(15)24)30-8-3-4-18(30 )32/h5-6,12-13H,2-4,7-11, 26H2,1H3,(H,27,28,29); KFVPRGMMTHBEBX-UHFFFAOYSA-N |
CCNc1ncc2c(n1)N(C(=O)C(=C2)c3ccc(c(c3Cl) F)N4CCCC4=O)CCOCCN; O=C1CCCN1c1ccc(C2=Cc 3cnc(nc3N(CCOCCN)C2=O)NCC)c(Cl)c1F; CCNc 1ncc2C=C(C(=O)N(CCOCCN)c2n1)c3ccc(N4CCCC 4=O)c(F)c3Cl |
(6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
| 14482 |  A1BV2 |
2 | C27 H34 N6 O2 S | InChI=1S/C27H34N6O2S/c1-1 6-4-6-22(33(15-16)27(35)2 5(34)30-20-12-17(2)24(28) 29-14-20)19-5-7-23-21(13- 19)31-26(36-23)18-8-10-32 (3)11-9-18/h5,7,12-14,16, 18,22H,4,6,8-11,15H2,1-3H 3,(H2,28,29)(H,30,34)/t16 -,22+/m0/s1; IOOQUQCCJJYVFM-KSFYIVLOSA-N |
Cc1cc(cnc1N)NC(=O)C(=O)N2C[C@H](CC[C@@H] 2c3ccc4c(c3)nc(s4)C5CCN(CC5)C)C; C[CH]1C C[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3c cc4sc(nc4c3)C5CCN(C)CC5; C[C@H]1CC[C@@H] (N(C1)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3ccc4sc (nc4c3)C5CCN(C)CC5; Cc1cc(cnc1N)NC(=O)C( =O)N2CC(CCC2c3ccc4c(c3)nc(s4)C5CCN(CC5)C )C; Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1 cc2nc(sc2cc1)C1CCN(C)CC1 |
N-(6-amino-5-methylpyridin-3-yl)-2-{(2R,5S)-5-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl}-2-oxoacetamide |
| 14483 |  A1BV3 |
2 | C23 H28 F N5 O3 | InChI=1S/C23H28FN5O3/c1-1 3(2)22(31)28-12-19(16-5-7 -17(24)8-6-16)29(11-15(28 )4)23(32)21(30)27-18-9-14 (3)20(25)26-10-18/h5-10,1 3,15,19H,11-12H2,1-4H3,(H 2,25,26)(H,27,30)/t15-,19 -/m1/s1; ILSGAYFBQMGHPJ-DNVCBOLYSA-N |
Cc1cc(cnc1N)NC(=O)C(=O)N2CC(N(CC2c3ccc(c c3)F)C(=O)C(C)C)C; CC(C)C(=O)N1C[C@@H](N (C[C@H]1C)C(=O)C(=O)Nc2cnc(N)c(C)c2)c3cc c(F)cc3; O=C(C(C)C)N1CC(c2ccc(F)cc2)N(CC 1C)C(=O)C(=O)Nc1cc(C)c(N)nc1; CC(C)C(=O) N1C[CH](N(C[CH]1C)C(=O)C(=O)Nc2cnc(N)c(C )c2)c3ccc(F)cc3; Cc1cc(cnc1N)NC(=O)C(=O) N2C[C@H](N(C[C@@H]2c3ccc(cc3)F)C(=O)C(C) C)C |
N-(6-amino-5-methylpyridin-3-yl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methyl-4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoacetamide |
| 14484 |  A1BV4 |
1 | C21 H21 N7 O2 S | InChI=1S/C21H21N7O2S/c1-1 1-2-4-16(12-3-5-17-14(6-1 2)24-10-31-17)28(9-11)21( 30)20(29)26-15-8-23-19(22 )13-7-25-27-18(13)15/h3,5 -8,10-11,16H,2,4,9H2,1H3, (H2,22,23)(H,25,27)(H,26, 29)/t11-,16+/m0/s1; JVFAOCFMASFRKM-MEDUHNTESA-N |
C[CH]1CC[CH](N(C1)C(=O)C(=O)Nc2cnc(N)c3c n[nH]c23)c4ccc5scnc5c4; C[C@H]1CC[C@@H]( N(C1)C(=O)C(=O)Nc2cnc(N)c3cn[nH]c23)c4cc c5scnc5c4; C[C@H]1CC[C@@H](N(C1)C(=O)C(= O)Nc2cnc(c3c2[nH]nc3)N)c4ccc5c(c4)ncs5; Nc1ncc(NC(=O)C(=O)N2CC(C)CCC2c2cc3ncsc3c c2)c2[NH]ncc21; CC1CCC(N(C1)C(=O)C(=O)Nc 2cnc(c3c2[nH]nc3)N)c4ccc5c(c4)ncs5 |
N-(4-amino-1H-pyrazolo[4,3-c]pyridin-7-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
| 14485 |  A1BV5 |
1 | C23 H25 N5 O2 S | InChI=1S/C23H25N5O2S/c1-1 3-2-6-19(15-5-7-20-18(8-1 5)26-12-31-20)28(11-13)23 (30)22(29)27-16-9-17(14-3 -4-14)21(24)25-10-16/h5,7 -10,12-14,19H,2-4,6,11H2, 1H3,(H2,24,25)(H,27,29)/t 13-,19+/m0/s1; QNHCUYXLHQODAB-ORAYPTAESA-N |
Nc1ncc(cc1C1CC1)NC(=O)C(=O)N1CC(C)CCC1c1 cc2ncsc2cc1; C[CH]1CC[CH](N(C1)C(=O)C(=O )Nc2cnc(N)c(c2)C3CC3)c4ccc5scnc5c4; C[C@ H]1CC[C@@H](N(C1)C(=O)C(=O)Nc2cc(c(nc2)N )C3CC3)c4ccc5c(c4)ncs5; CC1CCC(N(C1)C(=O )C(=O)Nc2cc(c(nc2)N)C3CC3)c4ccc5c(c4)ncs 5; C[C@H]1CC[C@@H](N(C1)C(=O)C(=O)Nc2cnc (N)c(c2)C3CC3)c4ccc5scnc5c4 |
N-(6-amino-5-cyclopropylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
| 14486 |  A1BV7 |
1 | C25 H21 Cl F2 N4 O3 S | InChI=1S/C25H21ClF2N4O3S/ c1-2-18(33)31-6-7-32-12(1 1-31)5-8-35-22-14(25(32)3 4)9-17(28)20(21(22)26)13- 3-4-16(27)23-19(13)15(10- 29)24(30)36-23/h3-4,9,12H ,2,5-8,11,30H2,1H3/t12-/m 0/s1; VAELFXDDNADKOM-LBPRGKRZSA-N |
CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(c(F)cc3C2= O)c4ccc(F)c5sc(N)c(C#N)c45)C1; CCC(=O)N1 CC2CCOc3c(cc(F)c(c4ccc(F)c5sc(N)c(C#N)c4 5)c3Cl)C(=O)N2CC1; CCC(=O)N1CCN2[C@@H](C COc3c(Cl)c(c(F)cc3C2=O)c4ccc(F)c5sc(N)c( C#N)c45)C1; CCC(=O)N1CCN2C(C1)CCOc3c(cc( c(c3Cl)c4ccc(c5c4c(c(s5)N)C#N)F)F)C2=O; CCC(=O)N1CCN2[C@H](C1)CCOc3c(cc(c(c3Cl)c 4ccc(c5c4c(c(s5)N)C#N)F)F)C2=O |
Olomorasib Bound Form |
| 14487 |  A1BV8 |
2 | C26 H27 Cl N4 O2 | InChI=1S/C26H27ClN4O2/c1- 18-5-4-6-24(29-18)19-7-8- 21(23(27)16-19)22-15-20-1 7-28-10-9-25(20)31(26(22) 32)12-14-33-13-11-30(2)3/ h4-10,15-17H,11-14H2,1-3H 3; NPOXYSJSLYNRSE-UHFFFAOYSA-N |
Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C 3=O)CCOCCN(C)C; CN(C)CCOCCN1C(=O)C(=Cc2c nccc12)c3ccc(cc3Cl)c4cccc(C)n4; Cc1cccc( n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c (Cl)c1 |
(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one |
| 14488 |  A1BV9 |
1 | C32 H33 F N2 O3 | InChI=1S/C32H33FN2O3/c33- 16-4-17-34-18-13-23(21-34 )22-38-28-10-7-24(8-11-28 )30-29-12-9-27(36)19-26(2 9)20-32(14-15-32)35(30)31 (37)25-5-2-1-3-6-25/h1-3, 5-13,18-19,23,30,36H,4,14 -17,20-22H2/t23-,30+/m0/s 1; YVEUCNUGVRICLM-YUDQIZAISA-N |
c1ccc(cc1)C(=O)N2C(c3ccc(cc3CC24CC4)O)c5 ccc(cc5)OCC6CN(C=C6)CCCF; c1ccc(cc1)C(=O )N2[C@@H](c3ccc(cc3CC24CC4)O)c5ccc(cc5)O C[C@@H]6CN(C=C6)CCCF; FCCCN1C=CC(C1)COc1 ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1cc ccc1; Oc1ccc2[CH](N(C(=O)c3ccccc3)C4(CC4 )Cc2c1)c5ccc(OC[CH]6CN(CCCF)C=C6)cc5; Oc 1ccc2[C@H](N(C(=O)c3ccccc3)C4(CC4)Cc2c1) c5ccc(OC[C@@H]6CN(CCCF)C=C6)cc5 |
[(1'R)-1'-(4-{[(3S)-1-(3-fluoropropyl)-2,3-dihydro-1H-pyrrol-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
| 14489 |  A1BVA |
1 | C14 H22 N8 O7 S | InChI=1S/C14H22N8O7S/c1-5 (15)7(16)13(25)21-30(26,2 7)28-2-6-9(23)10(24)14(29 -6)22-4-20-8-11(17)18-3-1 9-12(8)22/h3-7,9-10,14,23 -24H,2,15-16H2,1H3,(H,21, 25)(H2,17,18,19)/t5-,6-,7 +,9-,10-,14-/m1/s1; MASQMYRALSQMDU-CKTDUXNWSA-N |
CC(C(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c 2ncnc3N)O)O)N)N; C[C@H]([C@@H](C(=O)NS(= O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c nc3c2ncnc3N)O)O)N)N; C[CH](N)[CH](N)C(=O )N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O) n2cnc3c(N)ncnc23; C[C@@H](N)[C@H](N)C(=O )N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@ H]1O)n2cnc3c(N)ncnc23; CC(N)C(N)C(=O)NS( =O)(=O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O |
5'-O-{[(2S,3R)-2,3-diaminobutanoyl]sulfamoyl}adenosine |
| 14490 |  A1BVB |
1 | C14 H14 N4 O S | InChI=1S/C14H14N4OS/c1-10 (15-2)14(19)18-13-5-3-4-1 1(17-13)6-7-12-8-16-9-20- 12/h3-5,8-10,15H,1-2H3,(H ,17,18,19)/t10-/m0/s1; SXGDRXXUUAHYAN-JTQLQIEISA-N |
CC(NC)C(=O)Nc1nc(C#Cc2cncs2)ccc1; CC(C(= O)Nc1cccc(n1)C#Cc2cncs2)NC; C[C@@H](C(=O )Nc1cccc(n1)C#Cc2cncs2)NC; CN[CH](C)C(=O )Nc1cccc(n1)C#Cc2scnc2; CN[C@@H](C)C(=O) Nc1cccc(n1)C#Cc2scnc2 |
N~2~-methyl-N-{6-[(1,3-thiazol-5-yl)ethynyl]pyridin-2-yl}-L-alaninamide |
| 14491 |  A1BVC |
2 | C22 H33 F N4 O4 | InChI=1S/C22H33FN4O4/c1-1 3(24-5)19(28)26-18(22(2,3 )4)21(30)27-11-7-8-17(27) 20(29)25-16-12-14(31-6)9- 10-15(16)23/h9-10,12-13,1 7-18,24H,7-8,11H2,1-6H3,( H,25,29)(H,26,28)/t13-,17 +,18-/m1/s1; MXGXCRZQXYAMPT-JEBQAFNWSA-N |
CC(C(=O)NC(C(=O)N1CCCC1C(=O)Nc2cc(ccc2F) OC)C(C)(C)C)NC; O=C(Nc1cc(OC)ccc1F)C1CCC N1C(=O)C(NC(=O)C(C)NC)C(C)(C)C; CN[CH](C )C(=O)N[CH](C(=O)N1CCC[CH]1C(=O)Nc2cc(OC )ccc2F)C(C)(C)C; CN[C@@H](C)C(=O)N[C@H]( C(=O)N1CCC[C@H]1C(=O)Nc2cc(OC)ccc2F)C(C) (C)C; C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H ]1C(=O)Nc2cc(ccc2F)OC)C(C)(C)C)NC |
N-methyl-L-alanyl-3-methyl-L-valyl-N-(2-fluoro-5-methoxyphenyl)-L-prolinamide |
| 14492 |  A1BVD |
4 | C17 H15 F O4 | InChI=1S/C17H15FO4/c18-13 -8-6-12(7-9-13)16(20)14-4 -1-2-5-15(14)17(21)22-11- 3-10-19/h1-2,4-9,19H,3,10 -11H2; RXPHTXXLGDDNLI-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCO; OCCCOC(=O)c1ccccc1C(=O)c2ccc(F)cc2; O=C( c1ccc(F)cc1)c1ccccc1C(=O)OCCCO |
3-hydroxypropyl 2-(4-fluorobenzoyl)benzoate |
| 14493 |  A1BVE |
6 | C16 H15 F N2 O4 S | InChI=1S/C16H15FN2O4S/c17 -12-7-5-11(6-8-12)15(20)1 3-3-1-2-4-14(13)16(21)19- 9-10-24(18,22)23/h1-8H,9- 10H2,(H,19,21)(H2,18,22,2 3); WOEARHKOURQYMY-UHFFFAOYSA-N |
O=C(c1ccc(F)cc1)c1ccccc1C(=O)NCCS(N)(=O) =O; c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCC S(=O)(=O)N; N[S](=O)(=O)CCNC(=O)c1ccccc1 C(=O)c2ccc(F)cc2 |
2-(4-fluorobenzoyl)-N-(2-sulfamoylethyl)benzamide |
| 14494 |  A1BVF |
6 | C9 H9 Cl N4 O | InChI=1S/C9H9ClN4O/c10-4- 8-6-3-5(9(15)12-11)1-2-7( 6)13-14-8/h1-3H,4,11H2,(H ,12,15)(H,13,14); CFZNRPPXQQDQFD-UHFFFAOYSA-N |
NNC(=O)c1ccc2[nH]nc(CCl)c2c1; NNC(=O)c1c c2c(cc1)[NH]nc2CCl; c1cc2c(cc1C(=O)NN)c( n[nH]2)CCl |
3-(chloromethyl)-1H-indazole-5-carbohydrazide |
| 14495 |  A1BVG |
5 | C17 H16 F N O5 S | InChI=1S/C17H16FNO5S/c18- 13-8-6-12(7-9-13)16(20)14 -4-1-2-5-15(14)17(21)24-1 0-3-11-25(19,22)23/h1-2,4 -9H,3,10-11H2,(H2,19,22,2 3); MLQZRKISRCFCFZ-UHFFFAOYSA-N |
c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)OCCCS(= O)(=O)N; N[S](=O)(=O)CCCOC(=O)c1ccccc1C( =O)c2ccc(F)cc2; O=C(c1ccc(F)cc1)c1ccccc1 C(=O)OCCCS(N)(=O)=O |
3-sulfamoylpropyl 2-(4-fluorobenzoyl)benzoate |
| 14496 |  A1BVH |
4 | C16 H21 N O4 | InChI=1S/C16H21NO4/c1-11( 18)12-6-8-13(9-7-12)15(19 )17-10-4-3-5-14(17)16(20) 21-2/h6-9,11,14,18H,3-5,1 0H2,1-2H3/t11-,14+/m0/s1; NTCPJUMLESOASK-SMDDNHRTSA-N |
COC(=O)[C@H]1CCCCN1C(=O)c2ccc(cc2)[C@H]( C)O; C[C@@H](c1ccc(cc1)C(=O)N2CCCC[C@@H] 2C(=O)OC)O; COC(=O)[CH]1CCCCN1C(=O)c2ccc (cc2)[CH](C)O; O=C(c1ccc(cc1)C(C)O)N1CCC CC1C(=O)OC; CC(c1ccc(cc1)C(=O)N2CCCCC2C( =O)OC)O |
methyl (2R)-1-{4-[(1S)-1-hydroxyethyl]benzoyl}piperidine-2-carboxylate |
| 14497 |  A1BVI |
2 | C25 H20 O2 | InChI=1S/C25H20O2/c26-23- 15-11-21(12-16-23)25(19-7 -3-1-4-8-19,20-9-5-2-6-10 -20)22-13-17-24(27)18-14- 22/h1-18,26-27H; BATCUENAARTUKW-UHFFFAOYSA-N |
Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(O) cc4; Oc1ccc(cc1)C(c1ccc(O)cc1)(c1ccccc1) c1ccccc1; c1ccc(cc1)C(c2ccccc2)(c3ccc(cc 3)O)c4ccc(cc4)O |
4,4'-(diphenylmethylene)diphenol |
| 14498 |  A1BVK |
4 | C21 H26 O2 | InChI=1S/C21H26O2/c1-15-1 2-20(2,3)14-21(13-15,16-4 -8-18(22)9-5-16)17-6-10-1 9(23)11-7-17/h4-11,15,22- 23H,12-14H2,1-3H3/t15-/m0 /s1; UMPGNGRIGSEMTC-HNNXBMFYSA-N |
C[C@H]1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O )(C)C; C[CH]1CC(C)(C)CC(C1)(c2ccc(O)cc2) c3ccc(O)cc3; CC1CC(CC(C1)(c2ccc(cc2)O)c3 ccc(cc3)O)(C)C; CC1(C)CC(C)CC(C1)(c1ccc( O)cc1)c1ccc(O)cc1; C[C@H]1CC(C)(C)CC(C1) (c2ccc(O)cc2)c3ccc(O)cc3 |
(2~5~S)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol |
| 14499 |  A1BVL |
1 | C17 H17 N7 | InChI=1S/C17H17N7/c1-4-19 -17(20-5-1)24-10-8-23(9-1 1-24)16-12-15(13-21-22-16 )14-2-6-18-7-3-14/h1-7,12 -13H,8-11H2; ZCUNPJSEJQKINH-UHFFFAOYSA-N |
c1cnc(nc1)N2CCN(CC2)c3cc(cnn3)c4ccncc4; c1nc(ncc1)N1CCN(CC1)c1cc(cnn1)c1ccncc1; C1CN(CCN1c2cc(cnn2)c3ccncc3)c4ncccn4 |
5-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine |
| 14500 |  A1BVM |
1 | C18 H18 N6 | InChI=1S/C18H18N6/c1-5-19 -6-2-15(1)16-13-18(22-21- 14-16)24-11-9-23(10-12-24 )17-3-7-20-8-4-17/h1-8,13 -14H,9-12H2; PMYQZDHMSFEWMS-UHFFFAOYSA-N |
C1CN(CCN1c2ccncc2)c3cc(cnn3)c4ccncc4; n1 nc(cc(c1)c1ccncc1)N1CCN(CC1)c1ccncc1; c1 cnccc1c2cc(nnc2)N3CCN(CC3)c4ccncc4 |
5-(pyridin-4-yl)-3-[4-(pyridin-4-yl)piperazin-1-yl]pyridazine |
| 14501 |  A1BVO |
5 | C12 H18 N2 O3 | InChI=1S/C12H18N2O3/c13-1 2(17)9-3-1-8(2-4-9)7-14-1 0(15)5-6-11(14)16/h8-9H,1 -7H2,(H2,13,17)/t8-,9-; NILRGZBNWXQVHW-KYZUINATSA-N |
NC(=O)[C@H]1CC[C@@H](CC1)CN2C(=O)CCC2=O; C1CC(CCC1CN2C(=O)CCC2=O)C(=O)N; NC(=O)[ CH]1CC[CH](CC1)CN2C(=O)CCC2=O; NC(=O)C1C CC(CN2C(=O)CCC2=O)CC1 |
(1r,4r)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide |
| 14502 |  A1BVQ CHEMBL4755744 |
2 | C25 H25 N3 O6 | InChI=1S/C25H25N3O6/c1-31 -18-4-5-20-19(11-18)15(8- 9-26-20)3-7-24-33-12-17(1 3-34-24)27-25(30)16-2-6-2 2-21(10-16)28-23(29)14-32 -22/h2,4-6,8-11,17,24H,3, 7,12-14H2,1H3,(H,27,30)(H ,28,29); ZFMCWMJGTDHLKI-UHFFFAOYSA-N |
COc1ccc2nccc(CC[C@@H]3OC[C@H](CO3)NC(=O) c4ccc5OCC(=O)Nc5c4)c2c1; COc1ccc2nccc(CC [CH]3OC[CH](CO3)NC(=O)c4ccc5OCC(=O)Nc5c4 )c2c1; COc1ccc2c(c1)c(ccn2)CCC3OCC(CO3)N C(=O)c4ccc5c(c4)NC(=O)CO5; O=C1COc2ccc(c c2N1)C(=O)NC1COC(CCc2ccnc3ccc(OC)cc23)OC 1 |
N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide |
| 14503 |  A1BVR |
1 | C19 H16 Br Cl N4 O | InChI=1S/C19H16BrClN4O/c1 -24-17-3-2-12(20)8-14(17) 19(18(24)26)4-6-25(7-5-19 )13-9-15(21)16(10-22)23-1 1-13/h2-3,8-9,11H,4-7H2,1 H3; GOIPOWYRLKHJHX-UHFFFAOYSA-N |
CN1C(=O)C2(CCN(CC2)c3cnc(C#N)c(Cl)c3)c4c c(Br)ccc14; CN1c2ccc(cc2C3(C1=O)CCN(CC3) c4cc(c(nc4)C#N)Cl)Br; Clc1cc(cnc1C#N)N1C CC2(CC1)C(=O)N(C)c1ccc(Br)cc12 |
5-(5-bromo-1-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidin]-1'-yl)-3-chloropyridine-2-carbonitrile |
| 14504 |  A1BVT |
1 | C28 H19 Cl N6 O2 | InChI=1S/C28H19ClN6O2/c1- 2-14-33-25(18-9-7-10-20(2 9)15-18)26(35-23-13-6-5-1 2-22(23)31-32-35)27(36)34 (28(33)37)24-17-30-16-19- 8-3-4-11-21(19)24/h2-13,1 5-17H,1,14H2; GHMBRMVREZRIQH-UHFFFAOYSA-N |
C=CCN1C(=C(C(=O)N(C1=O)c2cncc3c2cccc3)n4 c5ccccc5nn4)c6cccc(c6)Cl; Clc1cccc(c1)C2 =C(n3nnc4ccccc34)C(=O)N(C(=O)N2CC=C)c5cn cc6ccccc56; Clc1cccc(c1)C=1N(CC=C)C(=O)N (c2cncc3ccccc32)C(=O)C=1n1nnc2ccccc21 |
(3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione; (3M,5P,6M)-5-(1H-1,2,3-benzotriazol-1-yl)-6-(3-chlorophenyl)-3-(isoquinolin-4-yl)-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione bound form |
| 14505 |  A1BVU |
2 | C23 H27 F2 N3 O4 | InChI=1S/C23H27F2N3O4/c1- 12-18(22(31)27-16-6-4-5-1 4(11-16)21(24)25)13(2)28( 3)19(12)20(30)23(32)26-15 -7-9-17(29)10-8-15/h4-6,1 1,15,17,21,29H,7-10H2,1-3 H3,(H,26,32)(H,27,31)/t15 -,17+; ZUNIWKRJDDBEPY-WOVMCDHWSA-N |
Cn1c(C)c(c(C)c1C(=O)C(=O)N[CH]2CC[CH](O) CC2)C(=O)Nc3cccc(c3)C(F)F; Cn1c(C)c(c(C) c1C(=O)C(=O)N[C@@H]2CC[C@H](O)CC2)C(=O)N c3cccc(c3)C(F)F; Cc1c(c(n(c1C(=O)C(=O)NC 2CCC(CC2)O)C)C)C(=O)Nc3cccc(c3)C(F)F; Cc 1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O )Nc1cc(ccc1)C(F)F |
N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide |
| 14506 |  A1BVV |
1 | C23 H32 N4 O8 S | InChI=1S/C23H32N4O8S/c1-1 2(20(28)24-2)9-18(23(31)3 6(32,33)34)27-21(29)16(10 -13-7-8-13)26-22(30)17-11 -14-15(25-17)5-4-6-19(14) 35-3/h4-6,11-13,16,18,23, 25,31H,7-10H2,1-3H3,(H,24 ,28)(H,26,30)(H,27,29)(H, 32,33,34)/t12-,16-,18-,23 -/m0/s1; LRZYSGDVBCJBRD-HGPWOKMFSA-N |
CNC(=O)[CH](C)C[CH](NC(=O)[CH](CC1CC1)NC (=O)c2[nH]c3cccc(OC)c3c2)[CH](O)[S](O)(= O)=O; C[C@@H](C[C@@H]([C@@H](O)S(=O)(=O) O)NC(=O)[C@H](CC1CC1)NC(=O)c2cc3c([nH]2) cccc3OC)C(=O)NC; CNC(=O)C(C)CC(NC(=O)C(C C1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1)C(O)S(= O)(=O)O; CC(CC(C(O)S(=O)(=O)O)NC(=O)C(CC 1CC1)NC(=O)c2cc3c([nH]2)cccc3OC)C(=O)NC; CNC(=O)[C@@H](C)C[C@H](NC(=O)[C@H](CC1C C1)NC(=O)c2[nH]c3cccc(OC)c3c2)[C@@H](O)[ S](O)(=O)=O |
(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid |
| 14507 |  A1BVW |
2 | C8 H16 N2 O3 S | InChI=1S/C8H16N2O3S/c1-9( 2)8(11)10(3)7-4-5-14(12,1 3)6-7/h7H,4-6H2,1-3H3/t7- /m0/s1; YBDUCJOFQJTISO-ZETCQYMHSA-N |
CN(C)C(=O)N(C)[CH]1CC[S](=O)(=O)C1; CN(C 1CCS(=O)(=O)C1)C(=O)N(C)C; CN(C)C(=O)N(C )[C@H]1CCS(=O)(=O)C1; CN(C)C(=O)N(C)C1CC S(=O)(=O)C1; CN(C)C(=O)N(C)[C@H]1CC[S](= O)(=O)C1 |
N-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N,N',N'-trimethylurea |
| 14508 |  A1BVY CHEMBL3186008 |
1 | C7 H6 N4 | InChI=1S/C7H6N4/c1-2-4-7( 5-3-1)11-6-8-9-10-11/h1-6 H; IYPXPGSELZFFMI-UHFFFAOYSA-N |
c1ccc(cc1)n2cnnn2; c1ccc(cc1)n1cnnn1 | 1-phenyl-1H-tetrazole |
| 14509 |  A1BVZ CHEMBL3629240 |
1 | C9 H8 O3 | InChI=1S/C9H8O3/c1-6(10)7 -4-2-3-5-8(7)9(11)12/h2-5 H,1H3,(H,11,12); QDAWXRKTSATEOP-UHFFFAOYSA-N |
CC(=O)c1ccccc1C(O)=O; OC(=O)c1ccccc1C(C) =O; CC(=O)c1ccccc1C(=O)O |
2-acetylbenzoic acid |
| 14510 |  A1BW0 CHEMBL5895225 |
2 | C20 H21 F N6 O2 | InChI=1S/C20H21FN6O2/c1-2 0(2,29)18(21)11-25-19(28) 14-10-24-16(7-15(14)23-3) 17-5-4-13-6-12(8-22)9-26- 27(13)17/h4-7,9-10,18,29H ,11H2,1-3H3,(H,23,24)(H,2 5,28); QRSLLJXPHSUGHX-UHFFFAOYSA-N |
CNc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C)O)c2cc c3cc(cnn23)C#N; CC(C)(O)C(F)CNC(=O)c1cnc (cc1NC)c1ccc2cc(cnn12)C#N; CC(C)(C(CNC(= O)c1cnc(cc1NC)c2ccc3n2ncc(c3)C#N)F)O; CN c1cc(ncc1C(=O)NC[CH](F)C(C)(C)O)c2ccc3cc (cnn23)C#N; CC(C)([C@@H](CNC(=O)c1cnc(cc 1NC)c2ccc3n2ncc(c3)C#N)F)O |
(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(methylamino)pyridine-3-carboxamide |
| 14511 |  A1BW1 CHEMBL5757633 |
4 | C26 H30 F N7 O4 | InChI=1S/C26H30FN7O4/c1-2 6(2,37)23(27)14-30-24(35) 19-13-29-21(22-5-4-18-8-1 6(10-28)12-32-34(18)22)9- 20(19)33-17-6-15(7-17)11- 31-25(36)38-3/h4-5,8-9,12 -13,15,17,23,37H,6-7,11,1 4H2,1-3H3,(H,29,33)(H,30, 35)(H,31,36)/t15-,17+,23- /m0/s1; KBLCGJFSDYGQEW-JCEJCQQGSA-N |
CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC1CC(CNC(=O )OC)C1)c1ccc2cc(cnn12)C#N; CC(C)([C@@H]( CNC(=O)c1cnc(cc1NC2CC(C2)CNC(=O)OC)c3ccc 4n3ncc(c4)C#N)F)O; COC(=O)NC[C@H]1C[C@@H ](C1)Nc2cc(ncc2C(=O)NC[C@@H](F)C(C)(C)O) c3ccc4cc(cnn34)C#N; CC(C)(C(CNC(=O)c1cnc (cc1NC2CC(C2)CNC(=O)OC)c3ccc4n3ncc(c4)C# N)F)O; COC(=O)NC[CH]1C[CH](C1)Nc2cc(ncc2 C(=O)NC[CH](F)C(C)(C)O)c3ccc4cc(cnn34)C# N |
methyl {[(1S,3s)-3-{[(2P)-2-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-5-{[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl}pyridin-4-yl]amino}cyclobutyl]methyl}carbamate |
| 14512 |  A1BW2 CHEMBL5931531 |
2 | C23 H23 Cl2 F6 N3 O4 S | InChI=1S/C23H23Cl2F6N3O4S /c1-10-5-4-8-34(10)19(36) 15-16(39-18(33-15)17(35)3 2-9-20(2,3)37)11-6-7-12(1 4(25)13(11)24)21(38,22(26 ,27)28)23(29,30)31/h6-7,1 0,37-38H,4-5,8-9H2,1-3H3, (H,32,35)/t10-/m0/s1; ZQHVEGQHOKDZEN-JTQLQIEISA-N |
CC1CCCN1C(=O)c2c(sc(n2)C(=O)NCC(C)(C)O)c 3ccc(c(c3Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O; O =C(c1nc(sc1c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F )C(F)(F)F)C(=O)NCC(C)(C)O)N1CCCC1C; C[C@ H]1CCCN1C(=O)c2c(sc(n2)C(=O)NCC(C)(C)O)c 3ccc(c(c3Cl)Cl)C(C(F)(F)F)(C(F)(F)F)O; C [CH]1CCCN1C(=O)c2nc(sc2c3ccc(c(Cl)c3Cl)C (O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O; C [C@H]1CCCN1C(=O)c2nc(sc2c3ccc(c(Cl)c3Cl) C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O |
(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide |
| 14513 |  A1BW4 |
2 | C25 H25 Cl N4 O2 | InChI=1S/C25H25ClN4O2/c1- 24(23(27)32)8-9-25(13-24) 14-29-21-19(25)20(26)18(1 2-28-21)16-6-3-5-15(11-16 )17-7-4-10-30(2)22(17)31/ h3-7,10-12H,8-9,13-14H2,1 -2H3,(H2,27,32)(H,28,29)/ t24-,25-/m0/s1; RBWRXPHCLWKTNY-DQEYMECFSA-N |
CC1(CCC2(C1)CNc3c2c(c(cn3)c4cccc(c4)C5=C C=CN(C5=O)C)Cl)C(=O)N; CN1C=CC=C(C1=O)c2 cccc(c2)c3cnc4NC[C@@]5(CC[C@@](C)(C5)C(N )=O)c4c3Cl; CN1C=CC=C(C1=O)c2cccc(c2)c3c nc4NC[C]5(CC[C](C)(C5)C(N)=O)c4c3Cl; O=C 1C(=CC=CN1C)c1cccc(c1)c1cnc2NCC3(CCC(C)( C3)C(N)=O)c2c1Cl; C[C@@]1(CC[C@]2(C1)CNc 3c2c(c(cn3)c4cccc(c4)C5=CC=CN(C5=O)C)Cl) C(=O)N |
(1R,3S,5'P)-4'-chloro-3-methyl-5'-[(3M)-3-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridine]-3-carboxamide |
| 14514 |  A1BW5 |
2 | C22 H29 N5 O2 | InChI=1S/C22H29N5O2/c1-4- 5-11-29-17-7-8-18(15(2)12 -17)19-13-16-14-25-22(24- 3)26-20(16)27(21(19)28)10 -6-9-23/h7-8,12-14H,4-6,9 -11,23H2,1-3H3,(H,24,25,2 6); ODYXWFJFAGROAV-UHFFFAOYSA-N |
CCCCOc1ccc(c(C)c1)C2=Cc3cnc(NC)nc3N(CCCN )C2=O; CCCCOc1ccc(c(c1)C)C2=Cc3cnc(nc3N( C2=O)CCCN)NC; CCCCOc1ccc(C2=Cc3cnc(nc3N( CCCN)C2=O)NC)c(C)c1 |
(6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one |
| 14515 |  A1BW6 |
1 | C24 H25 F2 N7 O4 S | InChI=1S/C24H25F2N7O4S/c1 -2-19(34)29-14-5-3-13(4-6 -14)17-11-12-18(25)20(21( 17)26)22(35)33-23(27)31-2 4(32-33)30-15-7-9-16(10-8 -15)38(28,36)37/h2,7-14H, 1,3-6H2,(H,29,34)(H2,28,3 6,37)(H3,27,30,31,32)/t13 -,14-; VCGXFVJENSAIDN-HDJSIYSDSA-N |
O=C(c1c(F)ccc(C2CCC(NC(=O)C=C)CC2)c1F)n1 nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N; Nc1nc(Nc2 ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)ccc([ CH]4CC[CH](CC4)NC(=O)C=C)c3F; Nc1nc(Nc2c cc(cc2)[S](N)(=O)=O)nn1C(=O)c3c(F)ccc([C @@H]4CC[C@H](CC4)NC(=O)C=C)c3F; C=CC(=O) NC1CCC(CC1)c2ccc(c(c2F)C(=O)n3c(nc(n3)Nc 4ccc(cc4)S(=O)(=O)N)N)F |
N-[(1r,4r)-4-{3-[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]-2,4-difluorophenyl}cyclohexyl]prop-2-enamide |
| 14516 |  A1BW7 |
2 | C27 H26 N6 O | InChI=1S/C27H26N6O/c1-17- 29-9-10-32(17)15-19-11-23 (20-5-6-20)22-7-8-25-27(2 4(22)12-19)30-31-33(25)16 -18-3-4-21(14-28)26(13-18 )34-2/h3-4,9-13,20H,5-8,1 5-16H2,1-2H3; MMRIZPIUJGQPIL-UHFFFAOYSA-N |
Cc1nccn1Cc1cc2c(CCc3c2nnn3Cc2ccc(C#N)c(O C)c2)c(c1)C1CC1; COc1cc(Cn2nnc3c2CCc4c(c c(Cn5ccnc5C)cc34)C6CC6)ccc1C#N; Cc1nccn1 Cc2cc-3c(c(c2)C4CC4)CCc5c3nnn5Cc6ccc(c(c 6)OC)C#N |
4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile |
| 14517 |  A1BW8 |
4 | C29 H27 F4 N7 | InChI=1S/C29H27F4N7/c1-4- 39-16-24(28(36-39)29(31,3 2)33)22-12-20(14-38-10-9- 34-18(38)3)13-23-21(22)6- 8-26-27(23)35-37-40(26)15 -19-5-7-25(30)17(2)11-19/ h5,7,9-13,16H,4,6,8,14-15 H2,1-3H3; XLTBFORPJOMOPM-UHFFFAOYSA-N |
CCn1cc(c2cc(Cn3ccnc3C)cc4c2CCc5n(Cc6ccc( F)c(C)c6)nnc45)c(n1)C(F)(F)F; CCn1cc(c(n 1)C(F)(F)F)c2cc(cc-3c2CCc4c3nnn4Cc5ccc(c (c5)C)F)Cn6ccnc6C; FC(F)(F)c1nn(CC)cc1c1 cc(Cn2ccnc2C)cc2c1CCc1c2nnn1Cc1ccc(F)c(C )c1 |
(6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole |
| 14518 |  A1BW9 |
2 | C31 H31 F N6 O2 | InChI=1S/C31H31FN6O2/c1-1 9-11-22(32)5-6-25(19)27-1 4-21(17-37-10-9-36(2)31(3 7)33)15-28-26(27)7-8-29-3 0(28)34-35-38(29)18-20-12 -23(39-3)16-24(13-20)40-4 /h5-6,9-16,33H,7-8,17-18H 2,1-4H3/b33-31+; CMPQOOWMXHVBSV-QOSDPKFLSA-N |
Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1C Cc1c2nnn1Cc1cc(OC)cc(OC)c1; Cc1cc(ccc1c2 cc(cc-3c2CCc4c3nnn4Cc5cc(cc(c5)OC)OC)CN6 C=CN(C6=N)C)F; COc1cc(Cn2nnc3c2CCc4c(cc( CN5C=CN(C)C5=N)cc34)c6ccc(F)cc6C)cc(OC)c 1; [H]/N=C/1\N(C=CN1Cc2cc(c3c(c2)-c4c(n( nn4)Cc5cc(cc(c5)OC)OC)CC3)c6ccc(cc6C)F)C |
1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine |
| 14519 |  A1BWA |
4 | C24 H19 F2 N5 O2 S | InChI=1S/C24H19F2N5O2S/c1 -13(32)28-19-12-15(9-10-2 7-19)22-21(30-24(31-22)34 -2)14-5-3-6-16(11-14)29-2 3(33)20-17(25)7-4-8-18(20 )26/h3-12H,1-2H3,(H,29,33 )(H,30,31)(H,27,28,32); XSGKACFQFCCIJV-UHFFFAOYSA-N |
CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc( NC(=O)c4c(F)cccc4F)c3; CSc1nc(c2cc(NC(=O )c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)= O)c1; CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c 3cccc(c3)NC(=O)c4c(cccc4F)F |
N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide |
| 14520 |  A1BWC |
6 | C22 H22 F5 N5 O3 | InChI=1S/C22H22F5N5O3/c23 -15-10-13(31-21(33)29-3-1 -5-32-6-8-34-9-7-32)11-16 (24)19(15)35-17-2-4-28-20 -18(17)14(12-30-20)22(25, 26)27/h2,4,10-12H,1,3,5-9 H2,(H,28,30)(H2,29,31,33); DYJKKWARNHEHJB-UHFFFAOYSA-N |
c1cnc2c(c1Oc3c(cc(cc3F)NC(=O)NCCCN4CCOCC 4)F)c(c[nH]2)C(F)(F)F; Fc1cc(NC(=O)NCCCN 2CCOCC2)cc(F)c1Oc3ccnc4[nH]cc(c34)C(F)(F )F; FC(F)(F)c1c[NH]c2nccc(Oc3c(F)cc(cc3F )NC(=O)NCCCN3CCOCC3)c21 |
N-(3,5-difluoro-4-{[3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy}phenyl)-N'-[3-(morpholin-4-yl)propyl]urea |
| 14521 |  A1BWF |
4 | C47 H66 N10 O5 S | InChI=1S/C47H66N10O5S/c1- 30(2)57-40(60)19-14-34-27 -49-46(53-43(34)57)51-35- 15-17-36(18-16-35)55-23-2 1-54(22-24-55)20-8-7-9-39 (59)52-42(47(4,5)6)45(62) 56-28-37(58)25-38(56)44(6 1)48-26-32-10-12-33(13-11 -32)41-31(3)50-29-63-41/h 10-14,19,27,29-30,35-38,4 2,58H,7-9,15-18,20-26,28H 2,1-6H3,(H,48,61)(H,52,59 )(H,49,51,53)/t35-,36-,37 -,38+,42-/m1/s1; NLSUEDHTOMHRAG-AHPJQPEPSA-N |
CC(C)N1C(=O)C=Cc2cnc(N[CH]3CC[CH](CC3)N4 CCN(CCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5 C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)CC4)n c12; Cc1c(scn1)c2ccc(cc2)CNC(=O)C3CC(CN3 C(=O)C(C(C)(C)C)NC(=O)CCCCN4CCN(CC4)C5CC C(CC5)Nc6ncc7c(n6)N(C(=O)C=C7)C(C)C)O; C c1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H]( CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCN4CCN(C C4)C5CCC(CC5)Nc6ncc7c(n6)N(C(=O)C=C7)C(C )C)O; CC(C)N1c2nc(ncc2C=CC1=O)NC1CCC(CC1 )N1CCN(CC1)CCCCC(=O)NC(C(=O)N1CC(O)CC1C( =O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C; CC(C)N 1C(=O)C=Cc2cnc(N[C@@H]3CC[C@H](CC3)N4CCN (CCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5 C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C)CC4)n c12 |
3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
| 14522 |  A1BWH |
10 | C24 H31 F N4 O5 | InChI=1S/C24H31FN4O5/c25- 16-5-1-3-14-10-19(27-21(1 4)16)24(34)29-18(9-13-6-7 -13)23(33)28-17(20(31)12- 30)11-15-4-2-8-26-22(15)3 2/h1,3,5,10,13,15,17-18,2 0,27,30-31H,2,4,6-9,11-12 H2,(H,26,32)(H,28,33)(H,2 9,34)/t15-,17-,18-,20+/m0 /s1; SXZDNPUJTOHKJI-TXJVSEOTSA-N |
c1cc2cc([nH]c2c(c1)F)C(=O)N[C@@H](CC3CC3 )C(=O)N[C@@H](C[C@@H]4CCCNC4=O)[C@@H](CO )O; OC[CH](O)[CH](C[CH]1CCCNC1=O)NC(=O)[ CH](CC2CC2)NC(=O)c3[nH]c4c(F)cccc4c3; c1 cc2cc([nH]c2c(c1)F)C(=O)NC(CC3CC3)C(=O)N C(CC4CCCNC4=O)C(CO)O; OC[C@@H](O)[C@H](C [C@@H]1CCCNC1=O)NC(=O)[C@H](CC2CC2)NC(=O )c3[nH]c4c(F)cccc4c3; Fc1cccc2cc([NH]c21 )C(=O)NC(CC1CC1)C(=O)NC(CC1CCCNC1=O)C(O) CO |
N-[(2S)-3-cyclopropyl-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)-1-oxopropan-2-yl]-7-fluoro-1H-indole-2-carboxamide |
| 14523 |  A1BWI |
2 | C6 H8 N2 O3 | InChI=1S/C6H8N2O3/c1-2-3- 4(9)7-6(11)8-5(3)10/h3H,2 H2,1H3,(H2,7,8,9,10,11); FMTLDVACNZDTQL-UHFFFAOYSA-N |
CCC1C(=O)NC(=O)NC1=O; O=C1NC(=O)NC(=O)C1 CC |
5-ethyl-1,3-diazinane-2,4,6-trione |
| 14524 |  A1BWJ |
2 | C11 H10 N2 O4 | InChI=1S/C11H10N2O4/c14-7 -3-1-2-6(4-7)5-8-9(15)12- 11(17)13-10(8)16/h1-4,8,1 4H,5H2,(H2,12,13,15,16,17 ); VHLBCIZZFAHISJ-UHFFFAOYSA-N |
Oc1cccc(CC2C(=O)NC(=O)NC2=O)c1; c1cc(cc( c1)O)CC2C(=O)NC(=O)NC2=O; O=C1NC(=O)NC(= O)C1Cc1cccc(O)c1 |
5-[(3-hydroxyphenyl)methyl]-1,3-diazinane-2,4,6-trione |
| 14525 |  A1BWL |
2 | C24 H23 F N6 O3 | InChI=1S/C24H23FN6O3/c1-1 2-16(10-30-23-22(12)28-5- 6-33-23)15-7-14-8-19(29-1 1-17(14)21(27)20(15)25)31 -24(32)34-18-4-2-3-13(18) 9-26/h7-8,10-11,13,18,28H ,2-6,27H2,1H3,(H,29,31,32 )/t13-,18+/m0/s1; CSFJGHIDSVDFSM-SCLBCKFNSA-N |
Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)NC( =O)O[C@@H]5CCC[C@H]5C#N; Cc1c2NCCOc2ncc1 c3cc4cc(NC(=O)O[CH]5CCC[CH]5C#N)ncc4c(N) c3F; Cc1c2NCCOc2ncc1c3cc4cc(NC(=O)O[C@@H ]5CCC[C@H]5C#N)ncc4c(N)c3F; N#CC1CCCC1OC (=O)Nc1cc2cc(c3cnc4OCCNc4c3C)c(F)c(N)c2c n1; Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N )NC(=O)OC5CCCC5C#N |
(1R,2S)-2-cyanocyclopentyl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate |
| 14526 |  A1BWM |
2 | C29 H30 N6 O5 | InChI=1S/C29H30N6O5/c1-29 (2)22-14-19(8-9-20(22)27( 37)39-29)31-28-30-15-21(2 6-33-24(35-40-26)18-10-12 -38-13-11-18)25(34-28)32- 23(16-36)17-6-4-3-5-7-17/ h3-9,14-15,18,23,36H,10-1 3,16H2,1-2H3,(H2,30,31,32 ,34)/t23-/m1/s1; CJEDRQLHKUFXRG-HSZRJFAPSA-N |
CC1(C)OC(=O)c2ccc(Nc3ncc(c(N[C@H](CO)c4c cccc4)n3)c5onc(n5)C6CCOCC6)cc12; CC1(C)O C(=O)c2ccc(cc21)Nc1ncc(c2nc(no2)C2CCOCC2 )c(NC(CO)c2ccccc2)n1; CC1(c2cc(ccc2C(=O) O1)Nc3ncc(c(n3)N[C@H](CO)c4ccccc4)c5nc(n o5)C6CCOCC6)C; CC1(c2cc(ccc2C(=O)O1)Nc3n cc(c(n3)NC(CO)c4ccccc4)c5nc(no5)C6CCOCC6 )C; CC1(C)OC(=O)c2ccc(Nc3ncc(c(N[CH](CO) c4ccccc4)n3)c5onc(n5)C6CCOCC6)cc12 |
5-[(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-yl)amino]-3,3-dimethyl-2-benzofuran-1(3H)-one |
| 14527 |  A1BWO |
0 | C16 H19 F2 N3 O6 S | InChI=1S/C16H19F2N3O6S/c1 -26-15(22)19-8-11-9-21(16 (23)27-11)10-6-12(17)14(1 3(18)7-10)20-2-4-28(24,25 )5-3-20/h6-7,11H,2-5,8-9H 2,1H3,(H,19,22)/t11-/m0/s 1; CCYKSCLMFZLAJH-NSHDSACASA-N |
COC(=O)NC[CH]1CN(C(=O)O1)c2cc(F)c(N3CC[S ](=O)(=O)CC3)c(F)c2; COC(=O)NC[C@H]1CN(C (=O)O1)c2cc(F)c(N3CC[S](=O)(=O)CC3)c(F)c 2; COC(=O)NC[C@H]1CN(C(=O)O1)c2cc(c(c(c2 )F)N3CCS(=O)(=O)CC3)F; COC(=O)NCC1CN(C(= O)O1)c2cc(c(c(c2)F)N3CCS(=O)(=O)CC3)F; O =S1(=O)CCN(CC1)c1c(F)cc(cc1F)N1CC(CNC(=O )OC)OC1=O |
methyl ({(5S)-3-[4-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)carbamate |
| 14528 |  A1BWR |
4 | C21 H26 O2 | InChI=1S/C21H26O2/c1-15-1 2-20(2,3)14-21(13-15,16-4 -8-18(22)9-5-16)17-6-10-1 9(23)11-7-17/h4-11,15,22- 23H,12-14H2,1-3H3/t15-/m1 /s1; UMPGNGRIGSEMTC-OAHLLOKOSA-N |
C[CH]1CC(C)(C)CC(C1)(c2ccc(O)cc2)c3ccc(O )cc3; C[C@@H]1CC(C)(C)CC(C1)(c2ccc(O)cc2 )c3ccc(O)cc3; CC1CC(CC(C1)(c2ccc(cc2)O)c 3ccc(cc3)O)(C)C; CC1(C)CC(C)CC(C1)(c1ccc (O)cc1)c1ccc(O)cc1; C[C@@H]1CC(CC(C1)(c2 ccc(cc2)O)c3ccc(cc3)O)(C)C |
(2~5~R)-2~3~,2~3~,2~5~-trimethyl-2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diol |
| 14529 |  A1BWS |
1 | C10 H18 N2 O5 | InChI=1S/C10H18N2O5/c1-5( 2)3-6(9(11)16)12-10(17)7( 13)4-8(14)15/h5-7,13H,3-4 H2,1-2H3,(H2,11,16)(H,12, 17)(H,14,15)/t6-,7-/m0/s1; LHEOILLGVMWLIK-BQBZGAKWSA-N |
O=C(O)CC(O)C(=O)NC(CC(C)C)C(N)=O; CC(C)C C(C(=O)N)NC(=O)C(CC(=O)O)O; CC(C)C[CH](N C(=O)[CH](O)CC(O)=O)C(N)=O; CC(C)C[C@@H] (C(=O)N)NC(=O)[C@H](CC(=O)O)O; CC(C)C[C@ H](NC(=O)[C@@H](O)CC(O)=O)C(N)=O |
(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid |
| 14530 |  A1BWT |
1 | C20 H29 N3 O6 | InChI=1S/C20H29N3O6/c1-14 (24)21-10-6-3-7-11-22-19( 28)16(12-15-8-4-2-5-9-15) 23-20(29)17(25)13-18(26)2 7/h2,4-5,8-9,16-17,25H,3, 6-7,10-13H2,1H3,(H,21,24) (H,22,28)(H,23,29)(H,26,2 7)/t16-,17+/m0/s1; DEIZDXKQOQMCEV-DLBZAZTESA-N |
CC(=O)NCCCCCNC(=O)[C@H](Cc1ccccc1)NC(=O) [C@H](O)CC(O)=O; CC(=O)NCCCCCNC(=O)[C@H] (Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)O; O=C(O )CC(O)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCNC(C) =O; CC(=O)NCCCCCNC(=O)[CH](Cc1ccccc1)NC( =O)[CH](O)CC(O)=O; CC(=O)NCCCCCNC(=O)C(C c1ccccc1)NC(=O)C(CC(=O)O)O |
(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid |
| 14531 |  A1BWU |
1 | C14 H18 Cl N O | InChI=1S/C14H18ClNO/c15-1 1-14(17)16-8-6-13(7-9-16) 10-12-4-2-1-3-5-12/h1-5,1 3H,6-11H2; NESGURPSHDOKFU-UHFFFAOYSA-N |
c1ccc(cc1)CC2CCN(CC2)C(=O)CCl; O=C(CCl)N 1CCC(Cc2ccccc2)CC1; ClCC(=O)N1CCC(CC1)Cc 2ccccc2 |
1-(4-benzylpiperidin-1-yl)-2-chloroethan-1-one |
| 14532 |  A1BWW |
1 | C26 H22 F3 N7 O | InChI=1S/C26H22F3N7O/c1-3 6-12-19(26(27,28)29)34-24 (36)16-5-3-14(4-6-16)9-17 -10-30-18-11-31-23(35-21( 17)18)20-22(15-7-8-15)32- 13-33-25(20)37-2/h3-6,10- 13,15,30H,7-9H2,1-2H3; ONJHDRGRJAZAHT-UHFFFAOYSA-N |
Cn1cc(nc1c1ccc(Cc2c[NH]c3cnc(nc32)c2c(nc nc2OC)C2CC2)cc1)C(F)(F)F; COc1ncnc(C2CC2 )c1c3ncc4[nH]cc(Cc5ccc(cc5)c6nc(cn6C)C(F )(F)F)c4n3; Cn1cc(nc1c2ccc(cc2)Cc3c[nH]c 4c3nc(nc4)c5c(ncnc5OC)C6CC6)C(F)(F)F |
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-5H-pyrrolo[3,2-d]pyrimidine |
| 14533 |  A1BWX |
2 | C27 H31 F N6 O3 | InChI=1S/C27H31FN6O3/c1-2 5(2,36)23(28)16-31-24(35) 19-15-30-21(22-4-3-18-11- 17(13-29)14-32-34(18)22)1 2-20(19)33-26-5-8-27(37,9 -6-26)10-7-26/h3-4,11-12, 14-15,23,36-37H,5-10,16H2 ,1-2H3,(H,30,33)(H,31,35) /t23-,26-,27+/m0/s1; CADZNHPGPXGCBJ-MSLLRLGPSA-N |
CC(C)(O)[CH](F)CNC(=O)c1cnc(cc1NC23CCC(O )(CC2)CC3)c4ccc5cc(cnn45)C#N; CC(C)(C(CN C(=O)c1cnc(cc1NC23CCC(CC2)(CC3)O)c4ccc5n 4ncc(c5)C#N)F)O; CC(C)(O)[C@H](F)CNC(=O) c1cnc(cc1NC23CCC(O)(CC2)CC3)c4ccc5cc(cnn 45)C#N; CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC12 CCC(O)(CC1)CC2)c1ccc2cc(cnn12)C#N; CC(C) ([C@@H](CNC(=O)c1cnc(cc1NC23CCC(CC2)(CC3 )O)c4ccc5n4ncc(c5)C#N)F)O |
(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(4-hydroxybicyclo[2.2.2]octan-1-yl)amino]pyridine-3-carboxamide |
| 14534 |  A1BWY CHEMBL5895431 |
4 | C29 H31 F3 N8 O2 | InChI=1S/C29H31F3N8O2/c1- 29(2,42)26(30)15-35-27(41 )22-14-34-24(25-8-7-21-9- 17(11-33)12-37-40(21)25)1 0-23(22)38-20-5-3-18(4-6- 20)19-13-36-39(16-19)28(3 1)32/h7-10,12-14,16,18,20 ,26,28,42H,3-6,15H2,1-2H3 ,(H,34,38)(H,35,41)/t18-, 20+,26-/m0/s1; QLDHSUUJTRPWLP-UDJSKEQPSA-N |
CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CCC(CC2) c3cnn(c3)C(F)F)c4ccc5n4ncc(c5)C#N)F)O; C C(C)(O)[CH](F)CNC(=O)c1cnc(cc1N[CH]2CC[C H](CC2)c3cnn(c3)C(F)F)c4ccc5cc(cnn45)C#N ; CC(C)(C(CNC(=O)c1cnc(cc1NC2CCC(CC2)c3c nn(c3)C(F)F)c4ccc5n4ncc(c5)C#N)F)O; CC(C )(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@@H]2CC[C @H](CC2)c3cnn(c3)C(F)F)c4ccc5cc(cnn45)C# N; FC(F)n1cc(cn1)C1CCC(Nc2cc(ncc2C(=O)NC C(F)C(C)(C)O)c2ccc3cc(C#N)cnn32)CC1 |
(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-({(1s,4S)-4-[1-(difluoromethyl)-1H-pyrazol-4-yl]cyclohexyl}amino)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide |
| 14535 |  A1BWZ CHEMBL5095097 DB18917 |
4 | C22 H22 F N7 O2 | InChI=1S/C22H22FN7O2/c1-1 3(8-24)29-17-7-18(19-5-4- 15-6-14(9-25)10-28-30(15) 19)26-11-16(17)21(31)27-1 2-20(23)22(2,3)32/h4-7,10 -11,13,20,32H,12H2,1-3H3, (H,26,29)(H,27,31); HORBHQPSWJRDSV-UHFFFAOYSA-N |
C[C@@H](Nc1cc(ncc1C(=O)NC[C@@H](F)C(C)(C )O)c2ccc3cc(cnn23)C#N)C#N; CC(C)(O)C(F)C NC(=O)c1cnc(cc1NC(C)C#N)c1ccc2cc(cnn12)C #N; CC(C#N)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F )c2ccc3n2ncc(c3)C#N; C[C@H](C#N)Nc1cc(nc c1C(=O)NC[C@H](C(C)(C)O)F)c2ccc3n2ncc(c3 )C#N; C[CH](Nc1cc(ncc1C(=O)NC[CH](F)C(C) (C)O)c2ccc3cc(cnn23)C#N)C#N |
(6P)-4-{[(1S)-1-cyanoethyl]amino}-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide |
| 14536 |  A1BX0 |
1 | C10 H10 N4 O S | InChI=1S/C10H10N4OS/c1-2- 7-6-16-9(13-7)5-11-10(15) 8-3-4-12-14-8/h2-4,6H,1,5 H2,(H,11,15)(H,12,14); MBNCIXDMIHHDPA-UHFFFAOYSA-N |
C=Cc1csc(CNC(=O)c2cc[nH]n2)n1; C=Cc1csc( n1)CNC(=O)c2cc[nH]n2; O=C(NCc1nc(cs1)C=C )c1cc[NH]n1 |
N-[(4-ethenyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| 14537 |  A1BX1 |
2 | C15 H13 N5 S | InChI=1S/C15H13N5S/c1-5-1 7-15-12(2-6-18-15)11(1)13 -9-20(7-8-21-13)14-3-4-16 -10-19-14/h1-6,9-10H,7-8H 2,(H,17,18); SXCYLCVXPMQXMB-UHFFFAOYSA-N |
C1CN(C=C(S1)c2ccnc3[nH]ccc23)c4ccncn4; c 1nc(ccn1)N1C=C(SCC1)c1ccnc2[NH]ccc21; c1 c[nH]c2c1c(ccn2)C3=CN(CCS3)c4ccncn4 |
(4P)-4-[4-(pyrimidin-4-yl)-3,4-dihydro-2H-1,4-thiazin-6-yl]-1H-pyrrolo[2,3-b]pyridine |
| 14538 |  A1BX3 |
8 | C33 H41 N9 O18 P2 S2 | InChI=1S/C33H41N9O18P2S2/ c1-12-18(19(51-4)26(54-12 )40-7-5-15(43)36-30(40)47 )59-61(49,63)53-10-33-14( 3)56-21(28(58-33)41-8-6-1 6(44)37-31(41)48)23(33)60 -62(50,64)52-9-32-13(2)55 -20(22(32)45)27(57-32)42- 11-35-17-24(42)38-29(34)3 9-25(17)46/h5-8,11-14,18- 23,26-28,45H,9-10H2,1-4H3 ,(H,49,63)(H,50,64)(H,36, 43,47)(H,37,44,48)(H3,34, 38,39,46)/t12-,13+,14+,18 +,19-,20-,21-,22-,23-,26+ ,27-,28+,32+,33+,61-,62-/ m1/s1; VUDMJYAXWQVAIQ-FFBYRIQISA-N |
CO[CH]1[CH](O[P](S)(=O)OC[C]23O[CH]([CH] (O[CH]2C)[CH]3O[P](S)(=O)OC[C]45O[CH]([C H](O[CH]4C)[CH]5O)n6cnc7C(=O)NC(=Nc67)N) N8C=CC(=O)NC8=O)[CH](C)O[CH]1N9C=CC(=O)N C9=O; C[C@@H]1[C@@H]([C@H]([C@H](O1)N2C= CC(=O)NC2=O)OC)O[P@@](=O)(OC[C@]34[C@@H] (O[C@H]([C@H]3O[P@@](=O)(OC[C@]56[C@@H]( O[C@H]([C@H]5O)[C@@H](O6)n7cnc8c7N=C(NC8 =O)N)C)S)[C@H](O4)N9C=CC(=O)NC9=O)C)S; C O[C@@H]1[C@@H](O[P@@](S)(=O)OC[C@]23O[C@ @H]([C@H](O[C@H]2C)[C@H]3O[P@@](S)(=O)OC [C@]45O[C@H]([C@H](O[C@H]4C)[C@H]5O)n6cn c7C(=O)NC(=Nc67)N)N8C=CC(=O)NC8=O)[C@@H] (C)O[C@@H]1N9C=CC(=O)NC9=O; NC1=Nc2c(ncn 2C2OC3(COP(=O)(S)OC4C5OC(C)C4(COP(=O)(S) OC4C(C)OC(N6C=CC(=O)NC6=O)C4OC)OC5N4C=CC (=O)NC4=O)C(O)C2OC3C)C(=O)N1; CC1C(C(C(O 1)N2C=CC(=O)NC2=O)OC)OP(=O)(OCC34C(OC(C3 OP(=O)(OCC56C(OC(C5O)C(O6)n7cnc8c7N=C(NC 8=O)N)C)S)C(O4)N9C=CC(=O)NC9=O)C)S |
O-{[(1S,3S,4R,6S,7R)-7-{[(R)-{[(1R,3R,4R,6S,7R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-7-hydroxy-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy}(sulfanyl)phosphoryl]oxy}-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methyl} O-[(2R,3S,4R,5S)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-methoxy-2-methyloxolan-3-yl] hydrogen (R)-phosphorothioate |
| 14539 |  A1BX4 |
1 | C6 H14 N2 O3 | InChI=1S/C6H14N2O3/c7-5(6 (9)10)3-1-2-4-8-11/h5,8,1 1H,1-4,7H2,(H,9,10)/t5-/m 0/s1; FZQOIMPLZAYIKU-YFKPBYRVSA-N |
NC(CCCCNO)C(=O)O; N[CH](CCCCNO)C(O)=O; C (CCNO)CC(C(=O)O)N; C(CCNO)C[C@@H](C(=O)O )N; N[C@@H](CCCCNO)C(O)=O |
N~6~-hydroxy-L-lysine |
| 14540 |  A1BX5 |
1 | C11 H14 N4 O S | InChI=1S/C11H14N4OS/c1-7( 2)9-6-17-10(14-9)5-12-11( 16)8-3-4-13-15-8/h3-4,6-7 H,5H2,1-2H3,(H,12,16)(H,1 3,15); DSTUBGXRLPKGTH-UHFFFAOYSA-N |
O=C(NCc1nc(cs1)C(C)C)c1cc[NH]n1; CC(C)c1 csc(CNC(=O)c2cc[nH]n2)n1; CC(C)c1csc(n1) CNC(=O)c2cc[nH]n2 |
N-{[4-(propan-2-yl)-1,3-thiazol-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| 14541 |  A1BX6 |
2 | C29 H28 N6 O5 S | InChI=1S/C29H28N6O5S/c36- 26-11-13-34(29(38)32-26)2 7-17-30-25-14-21(10-12-33 (25)27)16-31-28(37)24-15- 22-8-4-5-9-23(22)18-35(24 )41(39,40)19-20-6-2-1-3-7 -20/h1-10,12,14,17,24H,11 ,13,15-16,18-19H2,(H,31,3 7)(H,32,36,38)/t24-/m0/s1; ZTRLXYYBDRZBSP-DEOSSOPVSA-N |
O=C1CCN(C(=O)N1)c2cnc3cc(CNC(=O)[CH]4Cc5 ccccc5CN4[S](=O)(=O)Cc6ccccc6)ccn23; c1c cc(cc1)CS(=O)(=O)N2Cc3ccccc3CC2C(=O)NCc4 ccn5c(c4)ncc5N6CCC(=O)NC6=O; c1ccc(cc1)C S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)NCc4ccn5 c(c4)ncc5N6CCC(=O)NC6=O; O=C1NC(=O)CCN1c 1cnc2cc(ccn12)CNC(=O)C1Cc2ccccc2CN1S(=O) (=O)Cc1ccccc1; O=C1CCN(C(=O)N1)c2cnc3cc( CNC(=O)[C@@H]4Cc5ccccc5CN4[S](=O)(=O)Cc6 ccccc6)ccn23 |
(3S)-N-{[(4R)-3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]methyl}-2-(phenylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| 14542 |  A1BX7 |
1 | C32 H36 N10 O2 | InChI=1S/C32H36N10O2/c1-1 9-23-15-34-42(26(23)12-25 (35-19)24-14-33-7-6-28(24 )43-3)29-13-27-30(31(36-2 9)41-17-22-11-21(41)18-44 -22)37-32(38(27)2)40-10-9 -39-8-4-5-20(39)16-40/h6- 7,12-15,20-22H,4-5,8-11,1 6-18H2,1-3H3; WWLFWVFVYAPDGW-UHFFFAOYSA-N |
COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n(C)c(n c5c(n4)N6C[CH]7C[CH]6CO7)N8CCN9CCC[CH]9C 8; Cc1c2cnn(c2cc(n1)c3cnccc3OC)c4cc5c(c( n4)N6C[C@H]7C[C@@H]6CO7)nc(n5C)N8CCN9CCC [C@@H]9C8; COc1ccncc1c1cc2c(cnn2c2nc(N3C C4CC3CO4)c3nc(N4CC5CCCN5CC4)n(C)c3c2)c(C )n1; COc1ccncc1c2cc3n(ncc3c(C)n2)c4cc5n( C)c(nc5c(n4)N6C[C@H]7C[C@@H]6CO7)N8CCN9C CC[C@@H]9C8; Cc1c2cnn(c2cc(n1)c3cnccc3OC )c4cc5c(c(n4)N6CC7CC6CO7)nc(n5C)N8CCN9CC CC9C8 |
(6M)-1-{2-[(5S,8aR)-hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-1-methyl-4-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-1H-imidazo[4,5-c]pyridin-6-yl}-6-(4-methoxypyridin-3-yl)-4-methyl-1H-pyrazolo[4,3-c]pyridine |
| 14543 |  A1BX8 |
2 | C11 H11 N3 O2 | InChI=1S/C11H11N3O2/c1-7- 6-10(14-16-7)11(15)13-9-5 -3-2-4-8(9)12/h2-6H,12H2, 1H3,(H,13,15); UGYGWUULRFOGSL-UHFFFAOYSA-N |
Cc1onc(c1)C(=O)Nc2ccccc2N; Cc1cc(no1)C(= O)Nc1ccccc1N; Cc1cc(no1)C(=O)Nc2ccccc2N |
N-(2-aminophenyl)-5-methyl-1,2-oxazole-3-carboxamide |
| 14544 |  A1BXA |
1 | C15 H15 F N6 O6 S2 | InChI=1S/C15H15FN6O6S2/c1 6-30(26,27)28-11-3-1-2-9( 8-11)13(23)22-14(17)20-15 (21-22)19-10-4-6-12(7-5-1 0)29(18,24)25/h1-8,26-27H ,(H2,18,24,25)(H3,17,19,2 0,21); VNMSMWQDKZDYKK-UHFFFAOYSA-N |
c1cc(cc(c1)OS(O)(O)F)C(=O)n2c(nc(n2)Nc3c cc(cc3)S(=O)(=O)N)N; O=C(c1cccc(OS(F)(O) O)c1)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N; Nc 1nc(Nc2ccc(cc2)[S](N)(=O)=O)nn1C(=O)c3cc cc(O[S](O)(O)F)c3 |
4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide |
| 14545 |  A1BXB CHEMBL4069597 DB11844 |
9 | C18 H18 N4 O3 S2 | InChI=1S/C18H18N4O3S2/c1- 12-17(27(19,24)25)26-18(2 1-12)22(2)16(23)11-13-6-8 -14(9-7-13)15-5-3-4-10-20 -15/h3-10H,11H2,1-2H3,(H2 ,19,24,25); IVZKZONQVYTCKC-UHFFFAOYSA-N |
CN(C(=O)Cc1ccc(cc1)c2ccccn2)c3sc(c(C)n3) [S](N)(=O)=O; Cc1nc(sc1S(N)(=O)=O)N(C)C( =O)Cc1ccc(cc1)c1ccccn1; Cc1c(sc(n1)N(C)C (=O)Cc2ccc(cc2)c3ccccn3)S(=O)(=O)N |
Pritelivir; N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide |
| 14546 |  A1BXC CHEMBL5608063 |
1 | C9 H7 Cl N2 | InChI=1S/C9H7ClN2/c10-7-2 -1-3-8-6(7)4-5-9(11)12-8/ h1-5H,(H2,11,12); LFNYFPRSHXRDDH-UHFFFAOYSA-N |
c1cc2c(ccc(n2)N)c(c1)Cl; Clc1cccc2nc(N)c cc12; Nc1ccc2c(Cl)cccc2n1 |
5-chloroquinolin-2-amine |
| 14547 |  A1BXD CHEMBL4297592 DB11701 |
6 | C24 H26 N4 O5 S | InChI=1S/C24H26N4O5S/c1-1 6-4-3-5-17(2)22(16)28(24( 30)19-10-12-34(31,32)13-1 1-19)14-21(29)26-20-8-6-1 8(7-9-20)23-25-15-33-27-2 3/h3-9,15,19H,10-14H2,1-2 H3,(H,26,29); MNHNIVNAFBSLLX-UHFFFAOYSA-N |
Cc1cccc(C)c1N(CC(=O)Nc2ccc(cc2)c3nocn3)C (=O)C4CC[S](=O)(=O)CC4; O=S1(=O)CCC(CC1) C(=O)N(CC(=O)Nc1ccc(cc1)c1ncon1)c1c(C)cc cc1C; Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3nco n3)C(=O)C4CCS(=O)(=O)CC4)C |
Amenamevir |
| 14548 |  A1BXE CHEMBL5599232 |
1 | C15 H16 N2 O | InChI=1S/C15H16N2O/c1-10- 4-3-5-12(8-10)15(18)17-14 -9-13(16)7-6-11(14)2/h3-9 H,16H2,1-2H3,(H,17,18); ICWQDRXFBRYVRL-UHFFFAOYSA-N |
O=C(Nc1cc(N)ccc1C)c1cccc(C)c1; Cc1cccc(c 1)C(=O)Nc2cc(ccc2C)N; Cc1cccc(c1)C(=O)Nc 2cc(N)ccc2C |
N-(5-amino-2-methylphenyl)-3-methylbenzamide |
| 14549 |  A1BXF CHEMBL5607512 |
1 | C10 H8 Cl2 N2 | InChI=1S/C10H8Cl2N2/c1-5- 4-8(13)6-2-3-7(11)9(12)10 (6)14-5/h2-4H,1H3,(H2,13, 14); YOXFYSBUBIJKKS-UHFFFAOYSA-N |
Cc1cc(N)c2ccc(Cl)c(Cl)c2n1; Cc1cc(c2ccc( c(c2n1)Cl)Cl)N; Clc1c(Cl)ccc2c(N)cc(C)nc 12 |
7,8-dichloro-2-methylquinolin-4-amine |
| 14550 |  A1BXG CHEMBL5607104 |
1 | C14 H13 N3 | InChI=1S/C14H13N3/c1-9-5- 6-11(13-8-16-10(2)17-13)1 2-4-3-7-15-14(9)12/h3-8H, 1-2H3,(H,16,17); CZFYCCZCOKYGFG-UHFFFAOYSA-N |
Cc1[nH]cc(n1)c2ccc(C)c3ncccc23; Cc1ccc(c 2c1nccc2)c3c[nH]c(n3)C; Cc1nc(c[NH]1)c1c cc(C)c2ncccc12 |
(5P)-8-methyl-5-(2-methyl-1H-imidazol-4-yl)quinoline |
| 14551 |  A1BXH CHEMBL4847939 |
1 | C9 H7 Cl N2 | InChI=1S/C9H7ClN2/c10-7-3 -1-2-6-8(11)4-5-12-9(6)7/ h1-5H,(H2,11,12); OIXSIWQVJINCRY-UHFFFAOYSA-N |
Nc1ccnc2c(Cl)cccc12; c1cc2c(ccnc2c(c1)Cl )N; Clc1cccc2c(N)ccnc12 |
8-chloroquinolin-4-amine |
| 14552 |  A1BXI CHEMBL5607116 |
1 | C13 H14 N2 O2 | InChI=1S/C13H14N2O2/c1-8- 4-3-5-10-11(17-7-12(14)16 )6-9(2)15-13(8)10/h3-6H,7 H2,1-2H3,(H2,14,16); DHSQEZOXPZSKGH-UHFFFAOYSA-N |
NC(=O)COc1cc(C)nc2c(C)cccc12; Cc1cccc2c1 nc(cc2OCC(=O)N)C; Cc1cc(OCC(N)=O)c2cccc( C)c2n1 |
2-[(2,8-dimethylquinolin-4-yl)oxy]acetamide |
| 14553 |  A1BXJ CHEMBL5607924 |
1 | C13 H11 N3 O2 | InChI=1S/C13H11N3O2/c1-2- 18-13(17)10-7-16-12-8(6-1 4)4-3-5-9(12)11(10)15/h3- 5,7H,2H2,1H3,(H2,15,16); QGBFHTFGHPLYKS-UHFFFAOYSA-N |
CCOC(=O)c1cnc2c(cccc2c1N)C#N; O=C(OCC)c1 cnc2c(cccc2c1N)C#N |
ethyl 4-amino-8-cyanoquinoline-3-carboxylate |
| 14554 |  A1BXL CHEMBL5607743 |
1 | C15 H17 N3 O | InChI=1S/C15H17N3O/c19-15 (12-6-9-16-10-7-12)18-13- 5-1-3-11-4-2-8-17-14(11)1 3/h1-5,8,12,16H,6-7,9-10H 2,(H,18,19); SKJCEUNRNVCDAV-UHFFFAOYSA-N |
c1cc2cccnc2c(c1)NC(=O)C3CCNCC3; O=C(Nc1c ccc2cccnc21)C1CCNCC1; O=C(Nc1cccc2cccnc1 2)C3CCNCC3 |
N-(quinolin-8-yl)piperidine-4-carboxamide |
| 14555 |  A1BXM |
1 | C17 H21 N3 O2 | InChI=1S/C17H21N3O2/c1-11 -9-13(10-21)14-3-2-4-15(1 6(14)19-11)20-17(22)12-5- 7-18-8-6-12/h2-4,9,12,18, 21H,5-8,10H2,1H3,(H,20,22 ); AGNLJARXPNPVNI-UHFFFAOYSA-N |
Cc1cc(CO)c2cccc(NC(=O)C3CCNCC3)c2n1; Cc1 cc(c2cccc(c2n1)NC(=O)C3CCNCC3)CO; O=C(Nc 1cccc2c1nc(C)cc2CO)C1CCNCC1 |
N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]piperidine-4-carboxamide |
| 14556 |  A1BXN CHEMBL5607745 |
1 | C9 H8 N2 | InChI=1S/C9H8N2/c10-9-6-1 1-5-7-3-1-2-4-8(7)9/h1-6H ,10H2; ISIUXVGHQFJYHM-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2N; Nc1cncc2ccccc12; Nc1c ncc2ccccc21 |
isoquinolin-4-amine |
| 14557 |  A1BXO |
1 | C18 H23 N3 O2 | InChI=1S/C18H23N3O2/c1-11 -9-13(10-22)15-3-2-4-16(1 7(15)20-11)21-18(23)12-5- 7-14(19)8-6-12/h2-4,9,12, 14,22H,5-8,10,19H2,1H3,(H ,21,23)/t12-,14?; FESPEQJYTGMRLU-WHWAJLOBSA-N |
Cc1cc(CO)c2cccc(NC(=O)[C@@H]3CC[C@H](N)C C3)c2n1; Cc1cc(CO)c2cccc(NC(=O)[CH]3CC[C H](N)CC3)c2n1; Cc1cc(c2cccc(c2n1)NC(=O)C 3CCC(CC3)N)CO; NC1CCC(CC1)C(=O)Nc1cccc2c (cc(C)nc12)CO |
(1r,4r)-4-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclohexane-1-carboxamide |
| 14558 |  A1BXP |
1 | C16 H19 N3 O2 | InChI=1S/C16H19N3O2/c1-9- 5-11(8-20)13-3-2-4-14(15( 13)18-9)19-16(21)10-6-12( 17)7-10/h2-5,10,12,20H,6- 8,17H2,1H3,(H,19,21)/t10- ,12-; PWESDAOWBFUXFF-UMSPYCQHSA-N |
NC1CC(C1)C(=O)Nc1cccc2c(cc(C)nc12)CO; Cc 1cc(CO)c2cccc(NC(=O)[CH]3C[CH](N)C3)c2n1 ; Cc1cc(c2cccc(c2n1)NC(=O)C3CC(C3)N)CO; Cc1cc(CO)c2cccc(NC(=O)[C@H]3C[C@H](N)C3) c2n1 |
(1s,3s)-3-amino-N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]cyclobutane-1-carboxamide |
| 14559 |  A1BXQ |
1 | C23 H25 N3 O2 | InChI=1S/C23H25N3O2/c1-15 -11-18(14-27)20-8-4-6-17( 22(20)25-15)12-16-5-2-3-7 -21(16)23(28)26-10-9-19(2 4)13-26/h2-8,11,19,27H,9- 10,12-14,24H2,1H3/t19-/m1 /s1; YLEIQVSNUNQEJJ-LJQANCHMSA-N |
Cc1cc(c2cccc(c2n1)Cc3ccccc3C(=O)N4CCC(C4 )N)CO; Cc1cc(c2cccc(c2n1)Cc3ccccc3C(=O)N 4CC[C@H](C4)N)CO; Cc1cc(CO)c2cccc(Cc3ccc cc3C(=O)N4CC[C@@H](N)C4)c2n1; NC1CCN(C1) C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO; Cc1cc (CO)c2cccc(Cc3ccccc3C(=O)N4CC[CH](N)C4)c 2n1 |
[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone |
| 14560 |  A1BXR |
1 | C17 H21 N3 O2 | InChI=1S/C17H21N3O2/c1-11 -7-13(10-21)15-4-2-3-12(1 7(15)19-11)8-16(22)20-6-5 -14(18)9-20/h2-4,7,14,21H ,5-6,8-10,18H2,1H3/t14-/m 1/s1; UTTANBJRNNPSJV-CQSZACIVSA-N |
Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](N)C3)c2n1 ; Cc1cc(c2cccc(c2n1)CC(=O)N3CCC(C3)N)CO; Cc1cc(c2cccc(c2n1)CC(=O)N3CC[C@H](C3)N) CO; NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO; Cc1cc(CO)c2cccc(CC(=O)N3CC[C@@H](N)C3)c 2n1 |
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one |
| 14561 |  A1BXS |
1 | C18 H23 N3 O2 | InChI=1S/C18H23N3O2/c1-12 -7-15(11-22)16-4-2-3-14(1 8(16)20-12)8-17(23)21-6-5 -13(9-19)10-21/h2-4,7,13, 22H,5-6,8-11,19H2,1H3/t13 -/m0/s1; LTNTUVLYAZVEDA-ZDUSSCGKSA-N |
NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO; Cc 1cc(c2cccc(c2n1)CC(=O)N3CC[C@H](C3)CN)CO ; Cc1cc(CO)c2cccc(CC(=O)N3CC[CH](CN)C3)c 2n1; Cc1cc(CO)c2cccc(CC(=O)N3CC[C@@H](CN )C3)c2n1; Cc1cc(c2cccc(c2n1)CC(=O)N3CCC( C3)CN)CO |
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one |
| 14562 |  A1BXT |
1 | C40 H73 O10 P | InChI=1S/C40H73O10P/c1-3- 5-7-9-11-13-15-17-18-20-2 1-23-25-27-29-31-39(43)47 -35-38(36-49-51(45,46)48- 34-37(42)33-41)50-40(44)3 2-30-28-26-24-22-19-16-14 -12-10-8-6-4-2/h7,9,12,14 ,17-18,37-38,41-42H,3-6,8 ,10-11,13,15-16,19-36H2,1 -2H3,(H,45,46)/b9-7+,14-1 2+,18-17+/t37-,38-/m1/s1; UAKNDDGOSJFMJQ-JMBLMXHZSA-N |
CCCCC/C=C/CCCCCCCCC(=O)O[C@H](COC(=O)CCC CCCC/C=C/CCC/C=C/CCC)COP(=O)(O)OC[C@@H]( CO)O; CCCCCC=CCCCCCCCCC(=O)OC(COC(=O)CCC CCCCC=CCCCC=CCCC)COP(=O)(O)OCC(CO)O; CCC CC\C=C\CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC C\C=C\CCC/C=C/CCC)CO[P](O)(=O)OC[C@H](O) CO; CCCCCC=CCCCCCCCCC(=O)O[CH](COC(=O)CC CCCCCC=CCCCC=CCCC)CO[P](O)(=O)OC[CH](O)C O; O=C(OC(COP(O)(=O)OCC(O)CO)COC(=O)CCCC CCC\C=C\CCC\C=C\CCC)CCCCCCCC\C=C\CCCCC |
(2R)-3-{[(S)-[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl]oxy}-2-{[(10E)-hexadec-10-enoyl]oxy}propyl (9E,14E)-octadeca-9,14-dienoate |
| 14563 |  A1BXV CHEMBL5608065 |
2 | C19 H25 N3 O2 | InChI=1S/C19H25N3O2/c1-13 -11-15(12-23)16-3-2-4-17( 19(16)21-13)22-18(24)6-5- 14-7-9-20-10-8-14/h2-4,11 ,14,20,23H,5-10,12H2,1H3, (H,22,24); YOACLWXNCLINNH-UHFFFAOYSA-N |
Cc1cc(c2cccc(c2n1)NC(=O)CCC3CCNCC3)CO; C c1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1; Cc 1cc(CO)c2cccc(NC(=O)CCC3CCNCC3)c2n1 |
N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide |
| 14564 |  A1BXW |
2 | C22 H21 N3 O2 | InChI=1S/C22H21N3O2/c1-25 -19-11-12-23-22(24-15-7-6 -8-16(13-15)26-2)18(19)14 -20(25)17-9-4-5-10-21(17) 27-3/h4-14H,1-3H3,(H,23,2 4); UQASDSGYXMMHAO-UHFFFAOYSA-N |
COc1cccc(Nc2nccc3n(C)c(cc23)c4ccccc4OC)c 1; COc1cccc(c1)Nc1nccc2c1cc(c1ccccc1OC)n 2C; Cn1c2ccnc(c2cc1c3ccccc3OC)Nc4cccc(c4 )OC |
(2P)-2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine |
| 14565 |  A1BXX |
2 | C20 H16 F3 N5 O2 | InChI=1S/C20H16F3N5O2/c1- 2-19(9-11-25-17(19)29)18- 28-27-16(30-18)15-14(4-3- 10-24-15)26-13-7-5-12(6-8 -13)20(21,22)23/h2-8,10,2 6H,1,9,11H2,(H,25,29)/t19 -/m1/s1; ILVSMHUPTDSWHW-LJQANCHMSA-N |
C=CC1(CCNC1=O)c2nnc(o2)c3c(cccn3)Nc4ccc( cc4)C(F)(F)F; FC(F)(F)c1ccc(Nc2cccnc2c3o c(nn3)[C]4(CCNC4=O)C=C)cc1; C=C[C@]1(CCN C1=O)c2nnc(o2)c3c(cccn3)Nc4ccc(cc4)C(F)( F)F; FC(F)(F)c1ccc(cc1)Nc1cccnc1c1nnc(o1 )C1(CCNC1=O)C=C; FC(F)(F)c1ccc(Nc2cccnc2 c3oc(nn3)[C@@]4(CCNC4=O)C=C)cc1 |
(3R)-3-ethenyl-3-(5-{3-[4-(trifluoromethyl)anilino]pyridin-2-yl}-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one |
| 14566 |  A1BXY CHEMBL1213530 |
7 | C3 H2 O2 | InChI=1S/C3H2O2/c1-2-3(4) 5/h1H,(H,4,5); UORVCLMRJXCDCP-UHFFFAOYSA-N |
C#CC(=O)O; OC(=O)C#C | prop-2-ynoic acid |
| 14567 |  A1BXZ |
1 | C11 H12 N4 O S | InChI=1S/C11H12N4OS/c16-1 1(8-3-4-13-15-8)12-5-10-1 4-9(6-17-10)7-1-2-7/h3-4, 6-7H,1-2,5H2,(H,12,16)(H, 13,15); JGYUOEDSKCUYRY-UHFFFAOYSA-N |
O=C(NCc1nc(cs1)C1CC1)c1cc[NH]n1; c1c[nH] nc1C(=O)NCc2nc(cs2)C3CC3; O=C(NCc1scc(n1 )C2CC2)c3cc[nH]n3 |
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| 14568 |  A1BY1 |
1 | C21 H14 Br N3 O2 | InChI=1S/C21H14BrN3O2/c22 -14-6-7-18-16(10-14)20(26 )19(21(27)25(18)9-3-8-23) 17-12-24-11-13-4-1-2-5-15 (13)17/h1-2,4-7,10-12,27H ,3,9H2; XFSOOCWYYCILLD-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2C3=C(N(c4ccc(cc4C3=O)Br) CCC#N)O; OC1=C(C(=O)c2cc(Br)ccc2N1CCC#N) c3cncc4ccccc34; Brc1ccc2c(c1)C(=O)C(=C(O )N2CCC#N)c1cncc2ccccc21 |
3-[(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoquinolin-1(4H)-yl]propanenitrile |
| 14569 |  A1BY2 |
1 | C18 H11 Br N2 O2 | InChI=1S/C18H11BrN2O2/c19 -11-5-6-15-13(7-11)17(22) 16(18(23)21-15)14-9-20-8- 10-3-1-2-4-12(10)14/h1-9H ,(H2,21,22,23); JGLHSEXDGKIYJL-UHFFFAOYSA-N |
Brc1ccc2NC(O)=C(C(=O)c2c1)c1cncc2ccccc21 ; c1ccc2c(c1)cncc2C3=C(Nc4ccc(cc4C3=O)Br )O; OC1=C(C(=O)c2cc(Br)ccc2N1)c3cncc4ccc cc34 |
(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)quinolin-4(1H)-one |
| 14570 |  A1BY3 |
1 | C26 H14 F3 N3 O2 | InChI=1S/C26H14F3N3O2/c27 -26(28,29)16-9-19(17-7-3- 1-5-14(17)11-30)23-20(10- 16)24(33)22(25(34)32-23)2 1-13-31-12-15-6-2-4-8-18( 15)21/h1-10,12-13H,(H2,32 ,33,34); OVIKUGQRZXVXHK-UHFFFAOYSA-N |
OC1=C(C(=O)c2cc(cc(c2N1)c3ccccc3C#N)C(F) (F)F)c4cncc5ccccc45; c1ccc2c(c1)cncc2C3= C(Nc4c(cc(cc4C3=O)C(F)(F)F)c5ccccc5C#N)O ; FC(F)(F)c1cc(c2NC(O)=C(C(=O)c2c1)c1cnc c2ccccc21)c1ccccc1C#N |
(2M)-2-[(3P)-2-hydroxy-3-(isoquinolin-4-yl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinolin-8-yl]benzonitrile |
| 14571 |  A1BY4 |
2 | C24 H15 F3 N4 O2 | InChI=1S/C24H15F3N4O2/c25 -24(26,27)14-7-16(13-5-6- 19(28)30-10-13)21-17(8-14 )22(32)20(23(33)31-21)18- 11-29-9-12-3-1-2-4-15(12) 18/h1-11H,(H2,28,30)(H2,3 1,32,33); PVTAFZSWMAAUSR-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F )(F)F)c5ccc(nc5)N)O; Nc1ccc(cn1)c2cc(cc3 C(=O)C(=C(O)Nc23)c4cncc5ccccc45)C(F)(F)F ; FC(F)(F)c1cc(c2NC(O)=C(C(=O)c2c1)c1cnc c2ccccc21)c1ccc(N)nc1 |
(3P,8M)-8-(6-aminopyridin-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one |
| 14572 |  A1BY5 |
2 | C23 H16 F3 N3 O2 | InChI=1S/C23H16F3N3O2/c24 -23(25,26)14-7-16(13-5-6- 27-9-13)20-17(8-14)21(30) 19(22(31)29-20)18-11-28-1 0-12-3-1-2-4-15(12)18/h1- 5,7-8,10-11,27H,6,9H2,(H2 ,29,30,31); ZQKBFPSKAQOMAH-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F )(F)F)C5=CCNC5)O; FC(F)(F)c1cc(c2NC(O)=C (c3cncc4ccccc43)C(=O)c2c1)C1=CCNC1; OC1= C(C(=O)c2cc(cc(C3=CCNC3)c2N1)C(F)(F)F)c4 cncc5ccccc45 |
(3P,8P)-8-(2,5-dihydro-1H-pyrrol-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one |
| 14573 |  A1BY6 |
1 | C24 H18 F3 N3 O2 | InChI=1S/C24H18F3N3O2/c25 -24(26,27)15-9-17(13-5-7- 28-8-6-13)21-18(10-15)22( 31)20(23(32)30-21)19-12-2 9-11-14-3-1-2-4-16(14)19/ h1-5,9-12,28H,6-8H2,(H2,3 0,31,32); GRJHTDXKCMAYTI-UHFFFAOYSA-N |
c1ccc2c(c1)cncc2C3=C(Nc4c(cc(cc4C3=O)C(F )(F)F)C5=CCNCC5)O; FC(F)(F)c1cc(c2NC(O)= C(c3cncc4ccccc43)C(=O)c2c1)C1=CCNCC1; OC 1=C(C(=O)c2cc(cc(C3=CCNCC3)c2N1)C(F)(F)F )c4cncc5ccccc45 |
(3P,8P)-2-hydroxy-3-(isoquinolin-4-yl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one |
| 14574 |  A1BY7 |
1 | C19 H24 Cl N3 O3 | InChI=1S/C19H24ClN3O3/c1- 12(2)26-19(25)22-14-5-8-2 3(9-6-14)11-13-10-16(20)1 5-4-3-7-21-17(15)18(13)24 /h3-4,7,10,12,14,24H,5-6, 8-9,11H2,1-2H3,(H,22,25); CWIXCQOSULUGBT-UHFFFAOYSA-N |
CC(C)OC(=O)NC1CCN(CC1)Cc2cc(c3cccnc3c2O) Cl; CC(C)OC(=O)NC1CCN(Cc2cc(Cl)c3cccnc3c 2O)CC1; CC(C)OC(=O)NC1CCN(CC1)Cc2cc(Cl)c 3cccnc3c2O |
propan-2-yl {1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl}carbamate |
| 14575 |  A1BY8 |
6 | C27 H53 Br N3 O8 P | InChI=1S/C27H53BrN3O8P/c1 -4-5-6-7-8-9-10-11-12-13- 14-15-16-22(28)25(34)31-2 0-19-29-23(32)17-18-30-26 (35)24(33)27(2,3)21-39-40 (36,37)38/h22,24,33H,4-21 H2,1-3H3,(H,29,32)(H,30,3 5)(H,31,34)(H2,36,37,38)/ t22-,24-/m0/s1; WRZPJKRMVZRMQR-UPVQGACJSA-N |
CCCCCCCCCCCCCC[C@@H](C(=O)NCCNC(=O)CCNC( =O)[C@@H](C(C)(C)COP(=O)(O)O)O)Br; O=P(O )(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C (Br)CCCCCCCCCCCCCC; CCCCCCCCCCCCCC[CH](B r)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO [P](O)(O)=O; CCCCCCCCCCCCCC[C@H](Br)C(=O )NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O )(O)=O; CCCCCCCCCCCCCCC(C(=O)NCCNC(=O)CC NC(=O)C(C(C)(C)COP(=O)(O)O)O)Br |
C16 alpha-bromoamide |
| 14576 |  A1BY9 |
1 | C13 H10 F3 N3 O2 | InChI=1S/C13H10F3N3O2/c14 -13(15,16)8-3-9(10-5-17-6 -21-10)18-11(4-8)19-12(20 )7-1-2-7/h3-7H,1-2H2,(H,1 8,19,20); ZFIYGIJALJMZIZ-UHFFFAOYSA-N |
FC(F)(F)c1cc(nc(c1)c1cnco1)NC(=O)C1CC1; c1c(cc(nc1c2cnco2)NC(=O)C3CC3)C(F)(F)F; FC(F)(F)c1cc(NC(=O)C2CC2)nc(c1)c3ocnc3 |
N-[6-(1,3-oxazol-5-yl)-4-(trifluoromethyl)pyridin-2-yl]cyclopropanecarboxamide |
| 14577 |  A1BYA |
2 | C11 H10 F N3 O2 | InChI=1S/C11H10FN3O2/c1-6 -5-9(15-17-6)11(16)14-8-4 -2-3-7(12)10(8)13/h2-5H,1 3H2,1H3,(H,14,16); VRNPHRZXBJLCAZ-UHFFFAOYSA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2N)F; Cc1onc(c1) C(=O)Nc2cccc(F)c2N; Cc1cc(no1)C(=O)Nc1cc cc(F)c1N |
N-(2-amino-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide |
| 14578 |  A1BYB |
17 | C15 H11 Cl N2 O3 | InChI=1S/C15H11ClN2O3/c16 -9-4-5-12(19)8(6-9)7-17-1 1-3-1-2-10-13(11)15(21)18 -14(10)20/h1-6,17,19H,7H2 ,(H,18,20,21); CZLWMHAQTORHPT-UHFFFAOYSA-N |
c1cc2c(c(c1)NCc3cc(ccc3O)Cl)C(=O)NC2=O; Oc1ccc(Cl)cc1CNc2cccc3C(=O)NC(=O)c23; Cl c1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1 |
4-{[(5-chloro-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| 14579 |  A1BYC |
18 | C15 H11 Br N2 O3 | InChI=1S/C15H11BrN2O3/c16 -9-4-5-12(19)8(6-9)7-17-1 1-3-1-2-10-13(11)15(21)18 -14(10)20/h1-6,17,19H,7H2 ,(H,18,20,21); ICZMDDCYEUQOMT-UHFFFAOYSA-N |
c1cc2c(c(c1)NCc3cc(ccc3O)Br)C(=O)NC2=O; Oc1ccc(Br)cc1CNc2cccc3C(=O)NC(=O)c23; Br c1cc(CNc2cccc3C(=O)NC(=O)c32)c(O)cc1 |
4-{[(5-bromo-2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione |
| 14580 |  A1BYD |
1 | C31 H39 N7 O2 | InChI=1S/C31H39N7O2/c1-6- 29(39)33-23-19-24(28(40-5 )20-27(23)37(4)18-17-36(2 )3)35-31-32-15-14-22(34-3 1)30-21-11-7-8-12-25(21)3 8-16-10-9-13-26(30)38/h7- 8,11-12,14-15,19-20H,6,9- 10,13,16-18H2,1-5H3,(H,33 ,39)(H,32,34,35); MEDBOUCOFFVBAU-UHFFFAOYSA-N |
CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc (n1)c1c2ccccc2n2CCCCc12; CCC(=O)Nc1cc(c( cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3c4ccccc4n 5c3CCCC5; CCC(=O)Nc1cc(Nc2nccc(n2)c3c4CC CCn4c5ccccc35)c(OC)cc1N(C)CCN(C)C |
Oritinib, bound form |
| 14581 |  A1BYF |
1 | C16 H21 N5 O S | InChI=1S/C16H21N5OS/c22-1 6(18-8-15-19-14(9-23-15)1 1-3-4-11)13-5-12(20-21-13 )7-17-6-10-1-2-10/h5,9-11 ,17H,1-4,6-8H2,(H,18,22)( H,20,21); SFATUIRQTKFPPJ-UHFFFAOYSA-N |
c1c([nH]nc1C(=O)NCc2nc(cs2)C3CC3)CNCC4CC 4; O=C(NCc1scc(n1)C2CC2)c3cc(CNCC4CC4)[n H]n3; O=C(NCc1nc(cs1)C1CC1)c1cc(CNCC2CC2 )[NH]n1 |
5-{[(cyclopropylmethyl)amino]methyl}-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide |
| 14582 |  A1BYG |
1 | C10 H8 N4 O S | InChI=1S/C10H8N4OS/c1-2-9 -13-7(6-16-9)5-11-10(15)8 -3-4-12-14-8/h1,3-4,6H,5H 2,(H,11,15)(H,12,14); QZZKYRHBNYHOGS-UHFFFAOYSA-N |
C#Cc1nc(cs1)CNC(=O)c2cc[nH]n2; O=C(NCc1c sc(n1)C#C)c2cc[nH]n2; C#Cc1nc(CNC(=O)c2c c[NH]n2)cs1 |
N-[(2-ethynyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide |
| 14583 |  A1BYH |
1 | C18 H28 O2 | InChI=1S/C18H28O2/c19-16- 12-7-5-3-1-2-4-6-8-13-17- 20-18-14-10-9-11-15-18/h7 ,9-12,14-15,19H,1-6,8,13, 16-17H2; FYHKQZDCHQMJGE-UHFFFAOYSA-N |
c1ccc(cc1)OCCCCCCCCCC=CCO; OCC=CCCCCCCCC COc1ccccc1; OC\C=C\CCCCCCCCCOc1ccccc1; c 1ccc(cc1)OCCCCCCCCC/C=C/CO |
(2E)-12-phenoxydodec-2-en-1-ol |
| 14584 |  A1BYI |
1 | C14 H13 N5 O S | InChI=1S/C14H13N5OS/c1-19 -8-10(7-16-19)12-9-21-14( 17-12)18-13(20)6-11-4-2-3 -5-15-11/h2-5,7-9H,6H2,1H 3,(H,17,18,20); WSCNLEAKCHOALM-UHFFFAOYSA-N |
Cn1cc(cn1)c2csc(n2)NC(=O)Cc3ccccn3; Cn1c c(cn1)c2csc(NC(=O)Cc3ccccn3)n2; O=C(Nc1n c(cs1)c1cn(C)nc1)Cc1ccccn1 |
N-[(4M)-4-(1-methyl-1H-pyrazol-4-yl)-1,3-thiazol-2-yl]-2-(pyridin-2-yl)acetamide |
| 14585 |  A1BYK |
1 | C28 H33 F3 N8 O2 | InChI=1S/C28H33F3N8O2/c1- 6-24(40)33-21-15-22(26(41 -17-28(29,30)31)36-25(21) 38(4)14-13-37(2)3)35-27-3 2-12-11-20(34-27)19-16-39 (5)23-10-8-7-9-18(19)23/h 7-12,15-16H,6,13-14,17H2, 1-5H3,(H,33,40)(H,32,34,3 5); GAOWQJSMJRWONJ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(c(nc1N(C)CCN(C)C)OCC(F)(F)F )Nc2nccc(n2)c3cn(c4c3cccc4)C; CCC(=O)Nc1 cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OCC(F)( F)F)nc1N(C)CCN(C)C; CN(C)CCN(C)c1nc(OCC( F)(F)F)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(C)c 2ccccc21 |
Alflutinib, bound form |
| 14586 |  A1BYL |
1 | C30 H37 N7 O2 | InChI=1S/C30H37N7O2/c1-6- 29(38)32-24-17-25(28(39-5 )18-27(24)36(4)16-15-35(2 )3)34-30-31-14-13-23(33-3 0)22-19-37(20-11-12-20)26 -10-8-7-9-21(22)26/h7-10, 13-14,17-20H,6,11-12,15-1 6H2,1-5H3,(H,32,38)(H,31, 33,34); FBRYXFGDUYYXEG-UHFFFAOYSA-N |
CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc (n2)c3cn(c4c3cccc4)C5CC5; CN(C)CCN(C)c1c c(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(c2ccc cc21)C1CC1; CCC(=O)Nc1cc(Nc2nccc(n2)c3cn (C4CC4)c5ccccc35)c(OC)cc1N(C)CCN(C)C |
Almonertinib, bound form |
| 14587 |  A1BYN |
1 | C29 H34 F3 N7 O2 | InChI=1S/C29H34F3N7O2/c1- 6-27(40)34-22-15-23(26(41 -5)16-25(22)38(4)14-13-37 (2)3)36-28-33-12-11-21(35 -28)20-17-39(18-29(30,31) 32)24-10-8-7-9-19(20)24/h 7-12,15-17H,6,13-14,18H2, 1-5H3,(H,34,40)(H,33,35,3 6); IGKYGCHLPDPQHJ-UHFFFAOYSA-N |
CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc (n2)c3cn(c4c3cccc4)CC(F)(F)F; CN(C)CCN(C )c1cc(OC)c(cc1NC(=O)CC)Nc1nccc(n1)c1cn(C C(F)(F)F)c2ccccc21; CCC(=O)Nc1cc(Nc2nccc (n2)c3cn(CC(F)(F)F)c4ccccc34)c(OC)cc1N(C )CCN(C)C |
Befotertinib, bound form |
| 14588 |  A1BYO |
1 | C29 H34 Cl N7 O2 | InChI=1S/C29H34ClN7O2/c1- 6-27(38)33-23-16-24(26(39 -5)17-25(23)37(4)14-13-36 (2)3)34-29-31-18-22(30)28 (35-29)32-21-12-11-19-9-7 -8-10-20(19)15-21/h7-12,1 5-18H,6,13-14H2,1-5H3,(H, 33,38)(H2,31,32,34,35); ANMRFDWESUKWDW-UHFFFAOYSA-N |
CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2ncc( c(n2)Nc3ccc4ccccc4c3)Cl; CN(C)CCN(C)c1cc (OC)c(Nc2nc(Nc3cc4ccccc4cc3)c(Cl)cn2)cc1 NC(=O)CC; CCC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3cc c4ccccc4c3)n2)c(OC)cc1N(C)CCN(C)C |
Limertinib. bound form |
| 14589 |  A1BYP |
3 | C10 H F19 O5 | InChI=1S/C10HF19O5/c11-2( 12,1(30)31)32-7(22,23)8(2 4,25)34-10(28,29)9(26,27) 33-6(20,21)4(15,16)3(13,1 4)5(17,18)19/h(H,30,31); GDQLSTSWOFAQNO-UHFFFAOYSA-N |
C(=O)(C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)( F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O; OC( =O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F) OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F; FC(F)(OC (F)(F)C(F)(F)OC(F)(F)C(=O)O)C(F)(F)OC(F) (F)C(F)(F)C(F)(F)C(F)(F)F |
difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetic acid |
| 14590 |  A1BYS |
1 | C27 H34 N8 O2 | InChI=1S/C27H34N8O2/c1-7- 25(36)30-20-15-21(24(37-6 )16-22(20)34(5)14-13-33(3 )4)32-27-28-11-10-19(31-2 7)23-17-29-26-18(2)9-8-12 -35(23)26/h8-12,15-17H,7, 13-14H2,1-6H3,(H,30,36)(H ,28,31,32); XQQWWBLOZZFKTL-UHFFFAOYSA-N |
CN(C)CCN(C)c1cc(OC)c(cc1NC(=O)CC)Nc1nccc (n1)c1cnc2c(C)cccn12; CCC(=O)Nc1cc(c(cc1 N(C)CCN(C)C)OC)Nc2nccc(n2)c3cnc4n3cccc4C ; CCC(=O)Nc1cc(Nc2nccc(n2)c3cnc4n3cccc4C )c(OC)cc1N(C)CCN(C)C |
N-[2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-({(4M)-4-[(4S)-8-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amino)phenyl]propanamide |
| 14591 |  A1BYT |
1 | C14 H13 N5 O S | InChI=1S/C14H13N5OS/c20-1 4(12-9-2-1-5-15-13(9)19-1 8-12)16-6-11-17-10(7-21-1 1)8-3-4-8/h1-2,5,7-8H,3-4 ,6H2,(H,16,20)(H,15,18,19 ); NPIYFDZRXNUFFI-UHFFFAOYSA-N |
O=C(NCc1scc(n1)C2CC2)c3n[nH]c4ncccc34; O =C(NCc1nc(cs1)C1CC1)c1n[NH]c2ncccc21; c1 cc2c(n[nH]c2nc1)C(=O)NCc3nc(cs3)C4CC4 |
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide |
| 14592 |  A1BYU CHEMBL5560556 |
1 | C16 H22 N3 O4 P | InChI=1S/C16H22N3O4P/c1-2 3-14-4-2-3-13-15(14)17-11 -18-16(13)19-8-5-12(6-9-1 9)7-10-24(20,21)22/h2-4,1 1-12H,5-10H2,1H3,(H2,20,2 1,22); IXXUGBPAQOKGTM-UHFFFAOYSA-N |
COc1cccc2c1ncnc2N3CCC(CC3)CCP(=O)(O)O; C Oc1cccc2c(ncnc12)N3CCC(CC3)CC[P](O)(O)=O ; O=P(O)(O)CCC1CCN(CC1)c1ncnc2c1cccc2OC |
{2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid |
| 14593 |  A1BYV |
2 | C7 H6 N2 O S | InChI=1S/C7H6N2OS/c8-7-9- 6(4-11-7)5-1-2-10-3-5/h1- 4H,(H2,8,9); WPZVPERRFWQXFN-UHFFFAOYSA-N |
Nc1nc(cs1)c1cocc1; c1cocc1c2csc(n2)N; Nc 1scc(n1)c2cocc2 |
(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine |
| 14594 |  A1BYW |
1 | C13 H8 N4 O S | InChI=1S/C13H8N4OS/c18-8- 2-3-10-11(6-8)19-13(16-10 )9-7-15-17-5-1-4-14-12(9) 17/h1-7,18H; NZNYDSCZDDLISB-UHFFFAOYSA-N |
Oc1ccc2nc(sc2c1)c3cnn4cccnc34; c1cnc2c(c nn2c1)c3nc4ccc(cc4s3)O; Oc1ccc2nc(sc2c1) c1cnn2cccnc21 |
2-[(8R)-pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-benzothiazol-6-ol |
| 14595 |  A1BYX |
2 | C22 H20 Cl N3 O3 | InChI=1S/C22H20ClN3O3/c1- 26-12-11-15(25-26)13-29-1 6-7-5-14(6-8-16)17-3-2-4- 18(21(17)23)19-9-10-20(27 )24-22(19)28/h2-8,11-12,1 9H,9-10,13H2,1H3,(H,24,27 ,28)/t19-/m1/s1; ATFVRCNMKWLFKW-LJQANCHMSA-N |
Cn1ccc(n1)COc2ccc(cc2)c3cccc(c3Cl)[C@H]4 CCC(=O)NC4=O; Cn1ccc(n1)COc2ccc(cc2)c3cc cc(c3Cl)C4CCC(=O)NC4=O; Cn1ccc(COc2ccc(c c2)c2cccc(C3CCC(=O)NC3=O)c2Cl)n1; Cn1ccc (COc2ccc(cc2)c3cccc([CH]4CCC(=O)NC4=O)c3 Cl)n1; Cn1ccc(COc2ccc(cc2)c3cccc([C@H]4C CC(=O)NC4=O)c3Cl)n1 |
(3R)-3-{2-chloro-4'-[(1-methyl-1H-pyrazol-3-yl)methoxy][1,1'-biphenyl]-3-yl}piperidine-2,6-dione |
| 14596 |  A1BYY |
1 | C22 H16 Cl N7 O2 S | InChI=1S/C22H16ClN7O2S/c2 3-19-12-17(8-7-16(19)13-2 5)27-22-28-21(26)30(29-22 )33(31,32)20-5-1-4-15-11- 14(3-2-10-24)6-9-18(15)20 /h1,4-9,11-12H,2-3H2,(H3, 26,27,28,29); YLHDIFMTTOCZFP-UHFFFAOYSA-N |
c1cc2cc(ccc2c(c1)S(=O)(=O)n3c(nc(n3)Nc4c cc(c(c4)Cl)C#N)N)CCC#N; Nc1nc(Nc2ccc(C#N )c(Cl)c2)nn1[S](=O)(=O)c3cccc4cc(CCC#N)c cc34; O=S(=O)(c1cccc2cc(CCC#N)ccc21)n1nc (Nc2ccc(C#N)c(Cl)c2)nc1N |
4-({5-amino-1-[6-(2-cyanoethyl)naphthalene-1-sulfonyl]-1H-1,2,4-triazol-3-yl}amino)-2-chlorobenzonitrile |
| 14597 |  A1BYZ CHEMBL1064 DB00641 |
16 | C25 H38 O5 | InChI=1S/C25H38O5/c1-6-25 (4,5)24(28)30-21-12-15(2) 11-17-8-7-16(3)20(23(17)2 1)10-9-19-13-18(26)14-22( 27)29-19/h7-8,11,15-16,18 -21,23,26H,6,9-10,12-14H2 ,1-5H3/t15-,16-,18+,19+,2 0-,21-,23-/m0/s1; RYMZZMVNJRMUDD-HGQWONQESA-N |
CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC 3CC(CC(=O)O3)O)C; CCC(C)(C)C(=O)O[CH]1C[ CH](C)C=C2C=C[CH](C)[CH](CC[CH]3C[CH](O) CC(=O)O3)[CH]12; CC(C)(CC)C(=O)OC1CC(C)C =C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12; CCC(C )(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C )[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H ]12; CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@ H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC (=O)O3)O)C |
Simvastatin; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate |
| 14598 |  A1BZ0 |
1 | C31 H30 Cl N5 O2 | InChI=1S/C31H30ClN5O2/c32 -28-17-21(7-9-24(28)22-5- 2-1-3-6-22)19-34-13-4-12- 33-15-16-36-30-26-11-14-3 5-20-27(26)25-10-8-23(31( 38)39)18-29(25)37-30/h1-3 ,5-11,14,17-18,20,33-34H, 4,12-13,15-16,19H2,(H,36, 37)(H,38,39); UUMULXMLFUHPOL-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc 4c5ccc(cc5n3)C(=O)O; O=C(O)c1cc2nc(NCCNC CCNCc3ccc(c4ccccc4)c(Cl)c3)c3ccncc3c2cc1 ; OC(=O)c1ccc2c(c1)nc(NCCNCCCNCc3ccc(c(C l)c3)c4ccccc4)c5ccncc25 |
5-({2-[(3-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}propyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 14599 |  A1BZ1 |
1 | C32 H30 Cl N5 O3 | InChI=1S/C32H30ClN5O3/c33 -28-17-21(7-9-24(28)22-5- 2-1-3-6-22)19-34-16-12-30 (39)36-13-4-14-37-31-26-1 1-15-35-20-27(26)25-10-8- 23(32(40)41)18-29(25)38-3 1/h1-3,5-11,15,17-18,20,3 4H,4,12-14,16,19H2,(H,36, 39)(H,37,38)(H,40,41); BWLPEACXWIKMOE-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCCNc3c4 ccncc4c5ccc(cc5n3)C(=O)O; Clc1cc(ccc1c1c cccc1)CNCCC(=O)NCCCNc1nc2cc(ccc2c2cnccc1 2)C(=O)O; OC(=O)c1ccc2c(c1)nc(NCCCNC(=O) CCNCc3ccc(c(Cl)c3)c4ccccc4)c5ccncc25 |
5-{[3-({N-[(2-chloro[1,1'-biphenyl]-4-yl)methyl]-beta-alanyl}amino)propyl]amino}benzo[c][2,6]naphthyridine-8-carboxylic acid |
| 14600 |  A1BZ2 |
1 | C30 H28 Cl N5 O2 | InChI=1S/C30H28ClN5O2/c31 -27-16-20(6-8-23(27)21-4- 2-1-3-5-21)18-34-13-12-32 -14-15-35-29-25-10-11-33- 19-26(25)24-9-7-22(30(37) 38)17-28(24)36-29/h1-11,1 6-17,19,32,34H,12-15,18H2 ,(H,35,36)(H,37,38); NUZZUWIZRAPOCJ-UHFFFAOYSA-N |
OC(=O)c1ccc2c(c1)nc(NCCNCCNCc3ccc(c(Cl)c 3)c4ccccc4)c5ccncc25; c1ccc(cc1)c2ccc(cc 2Cl)CNCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O ; O=C(O)c1cc2nc(NCCNCCNCc3ccc(c4ccccc4)c (Cl)c3)c3ccncc3c2cc1 |
5-({2-[(2-{[(2-chloro[1,1'-biphenyl]-4-yl)methyl]amino}ethyl)amino]ethyl}amino)benzo[c][2,6]naphthyridine-8-carboxylic acid |