Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 14801 |  A1CF5 |
1 | C10 H9 F3 O4 | InChI=1S/C10H9F3O4/c1-17- 7-4-2-6(3-5-7)8(14)9(15,1 6)10(11,12)13/h2-5,15-16H ,1H3; OJRZKDIVULZAPY-UHFFFAOYSA-N |
COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F; COc1cc c(cc1)C(=O)C(C(F)(F)F)(O)O |
3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one |
| 14802 |  A1CF8 CHEMBL443052 DB09041 |
3 | C7 H6 B F O2 | InChI=1S/C7H6BFO2/c9-6-1- 2-7-5(3-6)4-11-8(7)10/h1- 3,10H,4H2; LFQDNHWZDQTITF-UHFFFAOYSA-N |
OB1OCc2cc(F)ccc12; B1(c2ccc(cc2CO1)F)O | Tavaborole; 5-fluoro-2,1-benzoxaborol-1(3H)-ol |
| 14803 |  A1CFA |
1 | C10 H11 Cl N O5 P | InChI=1S/C10H11ClNO5P/c11 -9-4-2-8(3-5-9)10(13)12(1 4)6-1-7-18(15,16)17/h1-5, 7,14H,6H2,(H2,15,16,17)/b 7-1+; JQNHMGORVLNPLD-LREOWRDNSA-N |
c1cc(ccc1C(=O)N(C/C=C/P(=O)(O)O)O)Cl; ON (C\C=C\[P](O)(O)=O)C(=O)c1ccc(Cl)cc1; c1 cc(ccc1C(=O)N(CC=CP(=O)(O)O)O)Cl; O=C(c1 ccc(Cl)cc1)N(O)C/C=C/P(=O)(O)O; ON(CC=C[ P](O)(O)=O)C(=O)c1ccc(Cl)cc1 |
[(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid |
| 14804 |  A1CFB |
1 | C10 H11 Cl N O5 P | InChI=1S/C10H11ClNO5P/c11 -9-4-1-3-8(7-9)10(13)12(1 4)5-2-6-18(15,16)17/h1-4, 6-7,14H,5H2,(H2,15,16,17) /b6-2+; LIJACNNYARJOBI-QHHAFSJGSA-N |
c1cc(cc(c1)Cl)C(=O)N(CC=CP(=O)(O)O)O; ON (C\C=C\[P](O)(O)=O)C(=O)c1cccc(Cl)c1; O= C(c1cc(Cl)ccc1)N(O)C/C=C/P(=O)(O)O; ON(C C=C[P](O)(O)=O)C(=O)c1cccc(Cl)c1; c1cc(c c(c1)Cl)C(=O)N(C/C=C/P(=O)(O)O)O |
[(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid |
| 14805 |  A1CFC |
1 | C8 H11 N O S | InChI=1S/C8H11NOS/c1-11(1 0)8-4-2-7(6-9)3-5-8/h2-5H ,6,9H2,1H3; OVDPJXUHQXPHIX-UHFFFAOYSA-N |
CS(=O)c1ccc(cc1)CN; C[S@@](=O)c1ccc(CN)c c1; O=S(C)c1ccc(CN)cc1; C[S](=O)c1ccc(CN )cc1 |
1-{4-[(R)-methanesulfinyl]phenyl}methanamine |
| 14806 |  A1CFD |
2 | C11 H14 N2 O2 | InChI=1S/C11H14N2O2/c12-7 -11(14)13-9-5-6-15-10-4-2 -1-3-8(9)10/h1-4,9H,5-7,1 2H2,(H,13,14)/t9-/m1/s1; RWJMQOAUQAINHS-SECBINFHSA-N |
NCC(=O)NC1CCOc2ccccc21; c1ccc2c(c1)C(CCO 2)NC(=O)CN; c1ccc2c(c1)[C@@H](CCO2)NC(=O )CN; NCC(=O)N[C@@H]1CCOc2ccccc12; NCC(=O )N[CH]1CCOc2ccccc12 |
N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]glycinamide |
| 14807 |  A1CFE |
1 | C12 H15 N3 O | InChI=1S/C12H15N3O/c1-15- 8-7-14-12(15)11(13)9-3-5- 10(16-2)6-4-9/h3-8,11H,13 H2,1-2H3/t11-/m0/s1; NGFVORJRIAJDAY-NSHDSACASA-N |
Cn1ccnc1[C@H](c2ccc(cc2)OC)N; Cn1ccnc1C( c2ccc(cc2)OC)N; COc1ccc(cc1)[C@H](N)c2nc cn2C; COc1ccc(cc1)[CH](N)c2nccn2C; NC(c1 ccc(OC)cc1)c1nccn1C |
(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine |
| 14808 |  A1CFF |
1 | C7 H14 N2 O | InChI=1S/C7H14N2O/c8-7(10 )9-6-4-2-1-3-5-6/h6H,1-5H 2,(H3,8,9,10); WUESWDIHTKHGQA-UHFFFAOYSA-N |
C1CCC(CC1)NC(=O)N; NC(=O)NC1CCCCC1; O=C( N)NC1CCCCC1 |
N-cyclohexylurea |
| 14809 |  A1CFG |
1 | C11 H11 F N2 O | InChI=1S/C11H11FN2O/c12-1 0-4-2-1-3-9(10)7-14-6-5-1 3-11(15)8-14/h1-5H,6-8H2; CFVZNWNMKVRFMY-UHFFFAOYSA-N |
c1ccc(c(c1)CN2CC=NC(=O)C2)F; Fc1ccccc1CN 1CC=NC(=O)C1; Fc1ccccc1CN2CC=NC(=O)C2 |
4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one |
| 14810 |  A1CFH |
8 | C17 H13 N O5 S | InChI=1S/C17H13NO5S/c19-1 6-10-14(24(21,22)23)9-12- 8-13(6-7-15(12)16)18-17(2 0)11-4-2-1-3-5-11/h1-10,1 9H,(H,18,20)(H,21,22,23); ZLHGMJOGMLVDFS-UHFFFAOYSA-N |
Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)[S](O)( =O)=O; c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(cc3 O)S(=O)(=O)O; O=S(=O)(O)c1cc(O)c2ccc(cc2 c1)NC(=O)c1ccccc1 |
7-benzamido-4-hydroxynaphthalene-2-sulfonic acid |
| 14811 |  A1CFI |
13 | C16 H13 N O4 S | InChI=1S/C16H13NO4S/c18-1 6-10-14(22(19,20)21)9-11- 8-13(6-7-15(11)16)17-12-4 -2-1-3-5-12/h1-10,17-18H, (H,19,20,21); YGNDWDUEMICDLW-UHFFFAOYSA-N |
O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1; c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O ; Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O) =O |
7-anilino-4-hydroxynaphthalene-2-sulfonic acid |
| 14812 |  A1CFJ |
22 | C11 H8 Cl2 N2 O3 S | InChI=1S/C11H8Cl2N2O3S/c1 2-7-3-1-4-8(13)10(7)15-11 -9(19(16,17)18)5-2-6-14-1 1/h1-6H,(H,14,15)(H,16,17 ,18); WLGWVYUEDPSKLN-UHFFFAOYSA-N |
O=S(=O)(O)c1cccnc1Nc1c(Cl)cccc1Cl; c1cc( c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl; O[S] (=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl |
2-(2,6-dichloroanilino)pyridine-3-sulfonic acid |
| 14813 |  A1CFK |
15 | C14 H12 N2 O3 S | InChI=1S/C14H12N2O3S/c17- 20(18,19)14-15-12-8-4-5-9 -13(12)16(14)10-11-6-2-1- 3-7-11/h1-9H,10H2,(H,17,1 8,19); HGYLMBSADYHHGI-UHFFFAOYSA-N |
O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1; c1ccc( cc1)Cn2c3ccccc3nc2S(=O)(=O)O; O[S](=O)(= O)c1nc2ccccc2n1Cc3ccccc3 |
1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid |
| 14814 |  A1CFM |
1 | C9 H13 N5 | InChI=1S/C9H13N5/c1-7-8(6 -11-12-7)5-10-9-3-4-14(2) 13-9/h3-4,6H,5H2,1-2H3,(H ,10,13)(H,11,12); CMVXYGAEPZMOKZ-UHFFFAOYSA-N |
Cn1ccc(NCc2cn[nH]c2C)n1; Cc1c(cn[nH]1)CN c2ccn(n2)C; Cn1nc(NCc2cn[NH]c2C)cc1 |
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine |
| 14815 |  A1CFR |
1 | C8 H14 F3 N | InChI=1S/C8H14F3N/c1-12-7 -4-2-6(3-5-7)8(9,10)11/h6 -7,12H,2-5H2,1H3/t6-,7-; QUUODNYZDCDMHQ-LJGSYFOKSA-N |
CN[CH]1CC[CH](CC1)C(F)(F)F; CNC1CCC(CC1) C(F)(F)F; CN[C@H]1CC[C@@H](CC1)C(F)(F)F |
(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine |
| 14816 |  A1CFS |
2 | C6 H9 N3 | InChI=1S/C6H9N3/c1-2-9-6( 8-1)5-3-7-4-5/h1-2,5,7H,3 -4H2,(H,8,9); FUUJTHNKOCYTDT-UHFFFAOYSA-N |
c1cnc([nH]1)C2CNC2; n1cc[NH]c1C1CNC1; C1 NCC1c2[nH]ccn2 |
2-(azetidin-3-yl)-1H-imidazole |
| 14817 |  A1CFT CHEMBL4532756 |
2 | C10 H10 F N3 | InChI=1S/C10H10FN3/c11-8- 3-1-7(2-4-8)9-6-13-10(5-1 2)14-9/h1-4,6H,5,12H2,(H, 13,14); AJSVWOCYSPNHEA-UHFFFAOYSA-N |
NCc1[nH]c(cn1)c2ccc(F)cc2; NCc1ncc([NH]1 )c1ccc(F)cc1; c1cc(ccc1c2cnc([nH]2)CN)F |
1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine |
| 14818 |  A1CFV CHEMBL4534453 |
1 | C8 H12 N2 O2 | InChI=1S/C8H12N2O2/c1-9-5 -6-3-4-7(12-6)8(11)10-2/h 3-4,9H,5H2,1-2H3,(H,10,11 ); NMODYIFATKWVQB-UHFFFAOYSA-N |
CNCc1ccc(o1)C(=O)NC; CNCc1oc(cc1)C(=O)NC | N-methyl-5-[(methylamino)methyl]furan-2-carboxamide |
| 14819 |  A1CFW |
1 | C7 H9 N S | InChI=1S/C7H9NS/c1-6-2-3- 7(9-6)4-5-8/h2-5H,8H2,1H3 /b5-4+; MXSLNNGXMQLNAY-SNAWJCMRSA-N |
Cc1sc(C=CN)cc1; Cc1ccc(s1)C=CN; Cc1ccc(s 1)/C=C/N; Cc1sc(/C=C/N)cc1; Cc1ccc(\C=C\ N)s1 |
(E)-2-(5-methylthiophen-2-yl)ethen-1-amine |
| 14820 |  A1CFX |
1 | C12 H12 N2 O | InChI=1S/C12H12N2O/c15-11 -5-3-4-10(8-11)9-14-12-6- 1-2-7-13-12/h1-8,15H,9H2, (H,13,14); ZGLJYAOGVJLKLM-UHFFFAOYSA-N |
Oc1cccc(CNc2ccccn2)c1; c1ccnc(c1)NCc2ccc c(c2)O |
3-{[(pyridin-2-yl)amino]methyl}phenol |
| 14821 |  A1CFY |
1 | C7 H11 N3 | InChI=1S/C7H11N3/c1-2-3-7 -9-5-4-6(8)10-7/h4-5H,2-3 H2,1H3,(H2,8,9,10); BTMCCOMLYMKBFL-UHFFFAOYSA-N |
CCCc1nc(N)ccn1; CCCc1nccc(n1)N; CCCc1ncc c(N)n1 |
2-propylpyrimidin-4-amine |
| 14822 |  A1CFZ |
2 | C8 H14 N2 O | InChI=1S/C8H14N2O/c11-8-5 -9-6-3-1-2-4-7(6)10-8/h6- 7,9H,1-5H2,(H,10,11)/t6-, 7+/m0/s1; JPYREMMLJKWDCF-NKWVEPMBSA-N |
O=C1CN[CH]2CCCC[CH]2N1; C1CC[C@@H]2[C@H] (C1)NCC(=O)N2; O=C1NC2CCCCC2NC1; O=C1CN[ C@H]2CCCC[C@H]2N1; C1CCC2C(C1)NCC(=O)N2 |
(4aS,8aR)-octahydroquinoxalin-2(1H)-one |
| 14823 |  A1CG0 |
32 | C44 H74 O15 | InChI=1S/C44H74O15/c1-22- 7-13-44(55-20-22)23(2)33- 30(59-44)16-29-27-6-5-25- 15-26(8-11-42(25,3)28(27) 9-12-43(29,33)4)53-14-10- 24(17-45)21-54-40-38(52)3 6(50)39(32(19-47)57-40)58 -41-37(51)35(49)34(48)31( 18-46)56-41/h22-41,45-52H ,5-21H2,1-4H3/t22-,23+,24 -,25+,26+,27-,28+,29+,30+ ,31-,32-,33+,34-,35+,36-, 37-,38-,39-,40-,41-,42+,4 3+,44-/m1/s1; WVVNJMRPVIVJJT-WHGCCSAPSA-N |
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C [C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@ @]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@ H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@ H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C) C)C)OC1; OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C (OC1CO)OCC(CO)CCOC1CCC2(C)C(CCC3C2CCC2(C )C4C(CC32)OC2(CCC(C)CO2)C4C)C1; C[C@@H]1 CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H ]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H] 3[C@@H]2C)OCC[C@H](CO)CO[C@@H]7O[C@H](CO )[C@@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H]( O)[C@H]8O)[C@H](O)[C@H]7O; C[CH]1CC[C]2( OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](CC[C]6 (C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO) CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH] (O)[CH](O)[CH]8O)[CH](O)[CH]7O; CC1CCC2( C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OCCC( CO)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O) O)O)O)O)C)C)C)OC1 |
(2R)-2-(hydroxymethyl)-4-{[(10xi,13xi,22xi,25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
| 14824 |  A1CG3 |
2 | C9 H9 N5 O4 | InChI=1S/C9H9N5O4/c1-2(8( 17)18)4-5(15)3-6(14-13-4) 11-9(10)12-7(3)16/h2H,1H3 ,(H,17,18)(H4,10,11,12,14 ,15,16)/t2-/m0/s1; GMTZUGVMBRNPHI-REOHCLBHSA-N |
C[C@@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(= O)O; C[C@H](C(O)=O)C1=NNC2=C(C(=O)NC(=N2 )N)C1=O; C[CH](C(O)=O)C1=NNC2=C(C(=O)NC( =N2)N)C1=O; O=C(O)C(C)C1=NNC=2N=C(N)NC(= O)C=2C1=O; CC(C1=NNC2=C(C1=O)C(=O)NC(=N2 )N)C(=O)O |
(2S)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid |
| 14825 |  A1CG4 |
5 | C34 H33 F6 N7 O3 S | InChI=1S/C34H33F6N7O3S/c1 -3-47(18-7-10-45(15-18)32 (48)49-2)30-20-11-22(34(3 8,39)40)25(19-5-6-23(36)2 8-24(19)21(13-41)29(42)51 -28)26(37)27(20)43-31(44- 30)50-16-33-8-4-9-46(33)1 4-17(35)12-33/h5-6,11,17- 18H,3-4,7-10,12,14-16,42H 2,1-2H3/t17-,18+,33+/m1/s 1; VJMZMAQRBQSNHW-AXZPFCHASA-N |
O=C(OC)N1CCC(C1)N(CC)c1nc(OCC23CCCN3CC(F )C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c 2F)C(F)(F)F; CCN(c1c2cc(c(c(c2nc(n1)OC[C @@]34CCCN3C[C@@H](C4)F)F)c5ccc(c6c5c(c(s 6)N)C#N)F)C(F)(F)F)[C@H]7CCN(C7)C(=O)OC; CCN([C@H]1CCN(C1)C(=O)OC)c2nc(OC[C@@]34 CCCN3C[C@H](F)C4)nc5c(F)c(c6ccc(F)c7sc(N )c(C#N)c67)c(cc25)C(F)(F)F; CCN(c1c2cc(c (c(c2nc(n1)OCC34CCCN3CC(C4)F)F)c5ccc(c6c 5c(c(s6)N)C#N)F)C(F)(F)F)C7CCN(C7)C(=O)O C; CCN([CH]1CCN(C1)C(=O)OC)c2nc(OC[C]34C CCN3C[CH](F)C4)nc5c(F)c(c6ccc(F)c7sc(N)c (C#N)c67)c(cc25)C(F)(F)F |
methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate |
| 14826 |  A1CG5 CHEMBL482091 |
4 | C18 H15 O P | InChI=1S/C18H15OP/c19-20( 16-10-4-1-5-11-16,17-12-6 -2-7-13-17)18-14-8-3-9-15 -18/h1-15H; FIQMHBFVRAXMOP-UHFFFAOYSA-N |
c1ccc(cc1)P(=O)(c2ccccc2)c3ccccc3; O=P(c 1ccccc1)(c1ccccc1)c1ccccc1; O=[P](c1cccc c1)(c2ccccc2)c3ccccc3 |
oxotri(phenyl)-lambda~5~-phosphane |
| 14827 |  A1CG7 |
2 | C9 H10 N10 O2 | InChI=1S/C9H10N10O2/c1-19 -6-4(7(21)13-8(10)12-6)5( 20)3(16-19)2-11-9-14-17-1 8-15-9/h2H2,1H3,(H3,10,12 ,13,21)(H2,11,14,15,17,18 ); HPEOIAAOXXIKAO-UHFFFAOYSA-N |
CN1N=C(CNc2[nH]nnn2)C(=O)C3=C1N=C(N)NC3= O; CN1C2=C(C(=O)C(=N1)CNc3[nH]nnn3)C(=O) NC(=N2)N; O=C1C(=NN(C)C=2N=C(N)NC(=O)C1= 2)CNc1nnn[NH]1 |
7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione |
| 14828 |  A1CG8 |
1 | C24 H32 F3 N5 O4 | InChI=1S/C24H32F3N5O4/c1- 22(2,3)18(31-21(35)24(25, 26)27)20(34)32-11-14-16(2 3(14,4)5)17(32)19(33)30-1 5(8-28)12-7-13(36-6)10-29 -9-12/h7-10,14-18,28H,11H 2,1-6H3,(H,30,33)(H,31,35 )/b28-8-/t14-,15+,16-,17- ,18+/m0/s1; ATTSVIKVVHABCD-VCLVVCANSA-N |
COc1cncc(c1)[C@H](NC(=O)[C@@H]2[C@@H]3[C @H](CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C )C)C3(C)C)C=N; CC1(C2C1C(N(C2)C(=O)C(C(C )(C)C)NC(=O)C(F)(F)F)C(=O)NC(C=N)c3cc(cn c3)OC)C; [H]/N=C\[C@H](c1cc(cnc1)OC)NC(= O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C @H](C(C)(C)C)NC(=O)C(F)(F)F; CC1(C)C2C(C (=O)NC(C=N)c3cc(OC)cnc3)N(CC21)C(=O)C(NC (=O)C(F)(F)F)C(C)(C)C; COc1cncc(c1)[CH]( NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O) C(F)(F)F)C(C)(C)C)C3(C)C)C=N |
(1R,2S,5S)-N-[(1S,2Z)-2-imino-1-(5-methoxypyridin-3-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
| 14829 |  A1CG9 |
2 | C18 H14 Br N3 O | InChI=1S/C18H14BrN3O/c1-1 2-6-2-3-8-14(12)20-18-16( 15-9-5-11-23-15)21-17-13( 19)7-4-10-22(17)18/h2-11, 20H,1H3; SHDJKACIDYOZNA-UHFFFAOYSA-N |
Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1; Cc1c cccc1Nc2c(nc3n2cccc3Br)c4ccco4; Cc1ccccc 1Nc2n3cccc(Br)c3nc2c4occc4 |
(4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine |
| 14830 |  A1CGC |
12 | C20 H14 N4 O2 | InChI=1S/C20H14N4O2/c25-1 9(7-4-14-8-11-21-12-9-14) 23-15-5-6-18-17(13-15)24- 20(26-18)16-3-1-2-10-22-1 6/h1-13H,(H,23,25)/b7-4+; YTYCOCGXXYZNCR-QPJJXVBHSA-N |
c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)/C=C/c4cc ncc4; O=C(Nc1ccc2oc(nc2c1)c3ccccn3)C=Cc4 ccncc4; c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)C =Cc4ccncc4; O=C(Nc1ccc2oc(nc2c1)c3ccccn3 )/C=C/c4ccncc4; O=C(/C=C/c1ccncc1)Nc1cc2 nc(oc2cc1)c1ccccn1 |
(2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide |
| 14831 |  A1CGG |
11 | C21 H16 N4 O2 | InChI=1S/C21H16N4O2/c1-14 -3-2-10-23-20(14)21-25-17 -13-16(5-6-18(17)27-21)24 -19(26)7-4-15-8-11-22-12- 9-15/h2-13H,1H3,(H,24,26) /b7-4-; XHCBDVCQCRENEB-DAXSKMNVSA-N |
Cc1cccnc1c2oc3ccc(NC(=O)C=Cc4ccncc4)cc3n 2; Cc1cccnc1c2nc3cc(ccc3o2)NC(=O)C=Cc4cc ncc4; Cc1cccnc1c2nc3cc(ccc3o2)NC(=O)/C=C \c4ccncc4; Cc1cccnc1c2oc3ccc(NC(=O)\C=C/ c4ccncc4)cc3n2; Cc1cccnc1c1nc2cc(ccc2o1) NC(=O)\C=C/c1ccncc1 |
(2Z)-N-[2-(3-methylpyridin-2-yl)-1,3-benzoxazol-5-yl]-3-(pyridin-4-yl)prop-2-enamide |
| 14832 |  A1CGJ |
0 | C23 H30 N13 O12 P2 | InChI=1S/C23H29N13O12P2/c 24-21-29-17-15(19(39)31-2 1)27-7-33(17)13-3-9(37)11 (47-13)5-45-49(41,42)35-1 -2-36(23(35)26)50(43,44)4 6-6-12-10(38)4-14(48-12)3 4-8-28-16-18(34)30-22(25) 32-20(16)40/h1-2,7-14,26, 37-38H,3-6H2,(H8,24,25,29 ,30,31,32,39,40,41,42,43, 44)/p+1/t9-,10-,11+,12+,1 3+,14+/m0/s1; BXQAVRYERMHLCD-PRSXHHODSA-O |
c1c[n+](c(n1P(=O)(O)OCC2C(CC(O2)n3cnc4c3 N=C(NC4=O)N)O)N)P(=O)(O)OCC5C(CC(O5)n6cn c7c6N=C(NC7=O)N)O; NC1=Nc2n(cnc2C(=O)N1) [CH]3C[CH](O)[CH](CO[P](O)(=O)n4cc[n+](c 4N)[P](O)(=O)OC[CH]5O[CH](C[CH]5O)n6cnc7 C(=O)NC(=Nc67)N)O3; NC1=Nc2c(ncn2C2CC(O) C(O2)COP(=O)(O)[n+]2ccn(c2N)P(=O)(O)OCC2 OC(CC2O)n2cnc3c2N=C(N)NC3=O)C(=O)N1; NC1 =Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H]( CO[P](O)(=O)n4cc[n+](c4N)[P](O)(=O)OC[C@ H]5O[C@H](C[C@@H]5O)n6cnc7C(=O)NC(=Nc67) N)O3; c1c[n+](c(n1P(=O)(O)OC[C@@H]2[C@H] (C[C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)N)P(=O )(O)OC[C@@H]5[C@H](C[C@@H](O5)n6cnc7c6N= C(NC7=O)N)O |
2-amino-1-[(R)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name) |
| 14833 |  A1CGK CHEMBL4848002 |
2 | C24 H22 F2 N6 O3 | InChI=1S/C24H22F2N6O3/c1- 14-5-4-9-31(21(14)24(33)3 4)23-17(26)12-27-22(28-23 )19-11-20(18-8-10-35-30-1 8)32(29-19)13-15-6-2-3-7- 16(15)25/h2-3,6-8,10-12,1 4,21H,4-5,9,13H2,1H3,(H,3 3,34)/t14-,21+/m1/s1; OREKZCCNTFVURN-SZNDQCEHSA-N |
C[CH]1CCCN([CH]1C(O)=O)c2nc(ncc2F)c3cc(n (Cc4ccccc4F)n3)c5ccon5; C[C@@H]1CCCN([C@ @H]1C(O)=O)c2nc(ncc2F)c3cc(n(Cc4ccccc4F) n3)c5ccon5; CC1CCCN(C1C(=O)O)c2c(cnc(n2) c3cc(n(n3)Cc4ccccc4F)c5ccon5)F; C[C@@H]1 CCCN([C@@H]1C(=O)O)c2c(cnc(n2)c3cc(n(n3) Cc4ccccc4F)c5ccon5)F; O=C(O)C1C(C)CCCN1c 1nc(ncc1F)c1nn(Cc2ccccc2F)c(c1)c1ccon1 |
(2S,3R)-1-{5-fluoro-2-[(5P)-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}-3-methylpiperidine-2-carboxylic acid |
| 14834 |  A1CGN CHEMBL4578649 |
2 | C6 H12 N2 O | InChI=1S/C6H12N2O/c1-2-8- 6(9)5-3-7-4-5/h5,7H,2-4H2 ,1H3,(H,8,9); RAHNPTRKBMUQRM-UHFFFAOYSA-N |
CCNC(=O)C1CNC1 | N-ethylazetidine-3-carboxamide |
| 14835 |  A1CGO |
1 | C7 H9 N3 O | InChI=1S/C7H9N3O/c1-5(11) 10-6-3-2-4-9-7(6)8/h2-4H, 1H3,(H2,8,9)(H,10,11); HMDOCRZUNBZAGA-UHFFFAOYSA-N |
Nc1ncccc1NC(C)=O; CC(=O)Nc1cccnc1N | N-(2-aminopyridin-3-yl)acetamide |
| 14836 |  A1CGP |
1 | C9 H13 N O S | InChI=1S/C9H13NOS/c11-5-8 -3-10-4-9(8)7-1-2-12-6-7/ h1-2,6,8-11H,3-5H2/t8-,9- /m1/s1; SWXORFHOLPJLTG-RKDXNWHRSA-N |
c1cscc1[C@H]2CNC[C@@H]2CO; OCC1CNCC1c1cc sc1; c1cscc1C2CNCC2CO; OC[C@H]1CNC[C@@H] 1c2cscc2; OC[CH]1CNC[CH]1c2cscc2 |
[(3R,4S)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol |
| 14837 |  A1CGQ |
1 | C9 H13 N O S | InChI=1S/C9H13NOS/c11-5-8 -3-10-4-9(8)7-1-2-12-6-7/ h1-2,6,8-11H,3-5H2/t8-,9- /m0/s1; SWXORFHOLPJLTG-IUCAKERBSA-N |
OC[C@@H]1CNC[C@H]1c2cscc2; OCC1CNCC1c1cc sc1; c1cscc1C2CNCC2CO; c1cscc1[C@@H]2CNC [C@H]2CO; OC[CH]1CNC[CH]1c2cscc2 |
[(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol |
| 14838 |  A1CGR |
1 | C14 H20 N2 O4 S | InChI=1S/C14H20N2O4S/c1-2 1(18,19)13-4-2-11(3-5-13) 8-15-14(17)16-9-12-6-7-20 -10-12/h2-5,12H,6-10H2,1H 3,(H2,15,16,17)/t12-/m1/s 1; KXBPKQJBIPGTRF-GFCCVEGCSA-N |
CS(=O)(=O)c1ccc(cc1)CNC(=O)NCC2CCOC2; C[ S](=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1 ; CS(=O)(=O)c1ccc(cc1)CNC(=O)NC[C@H]2CCO C2; C[S](=O)(=O)c1ccc(CNC(=O)NC[CH]2CCOC 2)cc1; O=C(NCC1CCOC1)NCc1ccc(cc1)S(C)(=O )=O |
N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea |
| 14839 |  A1CGS |
1 | C11 H16 Cl N O | InChI=1S/C11H16ClNO/c1-3- 13-6-7-14-10-4-5-11(12)9( 2)8-10/h4-5,8,13H,3,6-7H2 ,1-2H3; JETZEQAXQGLWPD-UHFFFAOYSA-N |
CCNCCOc1ccc(Cl)c(C)c1; Cc1cc(OCCNCC)ccc1 Cl; CCNCCOc1ccc(c(c1)C)Cl |
2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine |
| 14840 |  A1CGT |
2 | C14 H18 F N3 | InChI=1S/C14H18FN3/c1-12( 17-7-3-6-15)13-4-2-5-14(1 0-13)18-9-8-16-11-18/h2,4 -5,8-12,17H,3,6-7H2,1H3/t 12-/m1/s1; FEBIPSXCUUTCKH-GFCCVEGCSA-N |
CC(NCCCF)c1cccc(c1)n1ccnc1; C[CH](NCCCF) c1cccc(c1)n2ccnc2; C[C@@H](NCCCF)c1cccc( c1)n2ccnc2; C[C@H](c1cccc(c1)n2ccnc2)NCC CF; CC(c1cccc(c1)n2ccnc2)NCCCF |
3-fluoro-N-{(1R)-1-[(3P)-3-(1H-imidazol-1-yl)phenyl]ethyl}propan-1-amine |
| 14841 |  A1CGV |
1 | C17 H21 N O2 | InChI=1S/C17H21NO2/c1-2-1 8-12-13-19-16-8-10-17(11- 9-16)20-14-15-6-4-3-5-7-1 5/h3-11,18H,2,12-14H2,1H3; DLYGRQINMSKZKQ-UHFFFAOYSA-N |
CCNCCOc1ccc(cc1)OCc2ccccc2; CCNCCOc1ccc( OCc2ccccc2)cc1; CCNCCOc1ccc(cc1)OCc1cccc c1 |
2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine |
| 14842 |  A1CGW CHEMBL4863993 |
24 | C11 H7 Cl2 N3 S2 | InChI=1S/C11H7Cl2N3S2/c12 -7-1-6-3-16-18-9(6)2-8(7) 14-5-11-15-4-10(13)17-11/ h1-4,14H,5H2; GFNMKESSHVFPQM-UHFFFAOYSA-N |
Clc1cnc(s1)CNc1cc2sncc2cc1Cl; c1c2cnsc2c c(c1Cl)NCc3ncc(s3)Cl; Clc1sc(CNc2cc3sncc 3cc2Cl)nc1 |
5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine |
| 14843 |  A1CGZ CHEMBL43871 |
16 | C27 H44 O3 | InChI=1S/C27H44O3/c1-16-7 -12-27(29-15-16)17(2)24-2 3(30-27)14-22-20-6-5-18-1 3-19(28)8-10-25(18,3)21(2 0)9-11-26(22,24)4/h16-24, 28H,5-15H2,1-4H3/t16-,17+ ,18+,19+,20-,21+,22+,23+, 24+,25+,26+,27-/m1/s1; GMBQZIIUCVWOCD-MFRNJXNGSA-N |
C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH] 6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH ]2C; C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4 [C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H] 5CC[C@]4(C)[C@H]3[C@@H]2C; CC1CCC2(C(C3C (O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC 1; C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O 2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6 [C@@]5(CC[C@@H](C6)O)C)C)C)OC1; CC1C2C(C C3C4CCC5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)C O2 |
Tigogenin |
| 14844 |  A1CH1 CHEMBL6068520 |
1 | C24 H30 N6 O4 | InChI=1S/C24H30N6O4/c1-13 -12-30(5)28-15(13)22(24(2 )9-6-7-10-24)27-17-16(20( 32)21(17)33)26-14-8-11-25 -18(19(14)31)23(34)29(3)4 /h8,11-12,22,27,31H,6-7,9 -10H2,1-5H3,(H,25,26)/t22 -/m0/s1; WZBSYWCLIMRAHO-QFIPXVFZSA-N |
Cc1cn(nc1[C@@H](C2(CCCC2)C)NC3=C(C(=O)C3 =O)Nc4ccnc(c4O)C(=O)N(C)C)C; Cn1cc(C)c(n 1)C(NC1=C(Nc2ccnc(C(=O)N(C)C)c2O)C(=O)C1 =O)C1(C)CCCC1; Cc1cn(nc1C(C2(CCCC2)C)NC3 =C(C(=O)C3=O)Nc4ccnc(c4O)C(=O)N(C)C)C; C N(C)C(=O)c1nccc(NC2=C(N[CH](c3nn(C)cc3C) C4(C)CCCC4)C(=O)C2=O)c1O; CN(C)C(=O)c1nc cc(NC2=C(N[C@@H](c3nn(C)cc3C)C4(C)CCCC4) C(=O)C2=O)c1O |
4-[(2-{[(R)-(1,4-dimethyl-1H-pyrazol-3-yl)(1-methylcyclopentyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide |
| 14845 |  A1CH2 |
2 | C21 H21 F2 N5 O3 | InChI=1S/C21H21F2N5O3/c1- 25-20(30)28-7-4-15(13-18( 28)24-25)27-10-11-31-17-1 2-14(2-3-16(17)27)19(29)2 6-8-5-21(22,23)6-9-26/h2- 4,7,12-13H,5-6,8-11H2,1H3; BSUIDNIGESUTFD-UHFFFAOYSA-N |
CN1N=C2C=C(C=CN2C1=O)N3CCOc4cc(ccc34)C(= O)N5CCC(F)(F)CC5; CN1C(=O)N2C=CC(=CC2=N1 )N3CCOc4c3ccc(c4)C(=O)N5CCC(CC5)(F)F; FC 1(F)CCN(CC1)C(=O)c1ccc2c(c1)OCCN2C1=CC2= NN(C)C(=O)N2C=C1 |
(4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| 14846 |  A1CH3 |
1 | C21 H19 N3 O | InChI=1S/C21H19N3O/c22-12 -15-9-10-18(19(11-15)16-5 -2-1-3-6-16)21-20(25)8-4- 7-17-13-23-14-24(17)21/h1 -3,5-6,9-11,13-14,20-21,2 5H,4,7-8H2/t20-,21-/m0/s1; YJXOYLFTOJVXJZ-SFTDATJTSA-N |
N#Cc1ccc(C2C(O)CCCc3cncn32)c(c1)c1ccccc1 ; c1ccc(cc1)c2cc(ccc2[C@H]3[C@H](CCCc4n3 cnc4)O)C#N; c1ccc(cc1)c2cc(ccc2C3C(CCCc4 n3cnc4)O)C#N; O[CH]1CCCc2cncn2[CH]1c3ccc (cc3c4ccccc4)C#N; O[C@H]1CCCc2cncn2[C@H] 1c3ccc(cc3c4ccccc4)C#N |
6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile |
| 14847 |  A1CH4 |
19 | C27 H25 F2 N3 O4 | InChI=1S/C27H25F2N3O4/c1- 32(20-3-6-22(36-2)7-4-20) 27(35)25(11-16-9-18(28)13 -19(29)10-16)31-26(34)12- 17-15-30-24-8-5-21(33)14- 23(17)24/h3-10,13-15,25,3 0,33H,11-12H2,1-2H3,(H,31 ,34)/t25-/m0/s1; SNPJVLHULLMEKE-VWLOTQADSA-N |
CN(c1ccc(cc1)OC)C(=O)[C@H](Cc2cc(cc(c2)F )F)NC(=O)Cc3c[nH]c4c3cc(cc4)O; CN(c1ccc( cc1)OC)C(=O)C(Cc2cc(cc(c2)F)F)NC(=O)Cc3c [nH]c4c3cc(cc4)O; COc1ccc(cc1)N(C)C(=O)[ C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc3c[nH]c4ccc (O)cc34; COc1ccc(cc1)N(C)C(=O)[CH](Cc2cc (F)cc(F)c2)NC(=O)Cc3c[nH]c4ccc(O)cc34; C Oc1ccc(cc1)N(C)C(=O)C(Cc1cc(F)cc(F)c1)NC (=O)Cc1c[NH]c2ccc(O)cc21 |
3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide |
| 14848 |  A1CH5 CHEMBL5619879 |
21 | C29 H22 Cl F2 N3 O2 | InChI=1S/C29H22ClF2N3O2/c 30-20-5-3-18(4-6-20)24-2- 1-9-33-29(24)27(12-17-10- 21(31)14-22(32)11-17)35-2 8(37)13-19-16-34-26-8-7-2 3(36)15-25(19)26/h1-11,14 -16,27,34,36H,12-13H2,(H, 35,37)/t27-/m0/s1; VWDVTOLVWGUBLC-MHZLTWQESA-N |
Oc1ccc2[nH]cc(CC(=O)N[CH](Cc3cc(F)cc(F)c 3)c4ncccc4c5ccc(Cl)cc5)c2c1; Clc1ccc(cc1 )c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cc1c[NH ]c2ccc(O)cc21; c1cc(c(nc1)C(Cc2cc(cc(c2) F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O)c5ccc(cc5 )Cl; Oc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3cc(F )cc(F)c3)c4ncccc4c5ccc(Cl)cc5)c2c1; c1cc (c(nc1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[ nH]c4c3cc(cc4)O)c5ccc(cc5)Cl |
N-[(1S)-1-[3-(4-chlorophenyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide |
| 14849 |  A1CH6 |
10 | C30 H21 F8 N5 O2 | InChI=1S/C30H21F8N5O2/c31 -15-6-13(7-16(32)10-15)8- 22(25-17(2-1-5-40-25)14-3 -4-21(33)19(9-14)28(39)45 )41-23(44)12-43-27-24(26( 42-43)30(36,37)38)18-11-2 0(18)29(27,34)35/h1-7,9-1 0,18,20,22H,8,11-12H2,(H2 ,39,45)(H,41,44)/t18-,20+ ,22-/m0/s1; OSOVZKZMIGRTGM-DWLFOUALSA-N |
c1cc(c(nc1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4 c(c(n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c(c6)C (=O)N)F; NC(=O)c1cc(ccc1F)c2cccnc2[C@H]( Cc3cc(F)cc(F)c3)NC(=O)Cn4nc(c5[C@H]6C[C@ H]6C(F)(F)c45)C(F)(F)F; NC(=O)c1cc(ccc1F )c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c 2c1C(F)(F)C1CC12)C(F)(F)F; c1cc(c(nc1)[C @H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C( F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c(c6)C( =O)N)F; NC(=O)c1cc(ccc1F)c2cccnc2[CH](Cc 3cc(F)cc(F)c3)NC(=O)Cn4nc(c5[CH]6C[CH]6C (F)(F)c45)C(F)(F)F |
(5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide |
| 14850 |  A1CH7 |
22 | C25 H26 F3 N5 O2 | InChI=1S/C25H26F3N5O2/c1- 32(18-9-3-2-4-10-18)24(35 )20(14-17-8-7-13-29-15-17 )30-22(34)16-33-21-12-6-5 -11-19(21)23(31-33)25(26, 27)28/h2-4,7-10,13,15,20H ,5-6,11-12,14,16H2,1H3,(H ,30,34)/t20-/m0/s1; GYIHHZGKBJKUEO-FQEVSTJZSA-N |
CN(C(=O)[CH](Cc1cccnc1)NC(=O)Cn2nc(c3CCC Cc23)C(F)(F)F)c4ccccc4; CN(c1ccccc1)C(=O )C(Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F) CCCC4; CN(c1ccccc1)C(=O)[C@H](Cc2cccnc2) NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4; CN(C(= O)[C@H](Cc1cccnc1)NC(=O)Cn2nc(c3CCCCc23) C(F)(F)F)c4ccccc4; CN(c1ccccc1)C(=O)C(Cc 1cccnc1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F |
N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide |
| 14851 |  A1CHB |
2 | C20 H21 F2 N3 O2 S2 | InChI=1S/C20H21F2N3O2S2/c 1-12-19(29(3,23)27)28-20( 24-12)25(2)18(26)10-13-4- 6-14(7-5-13)16-11-15(21)8 -9-17(16)22/h4-9,11,27H,1 0,23H2,1-3H3; XMZIBPDSCWYNDP-UHFFFAOYSA-N |
Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3cc(ccc3 F)F)S(C)(N)O; Cc1c(sc(n1)N(C)C(=O)Cc2ccc (cc2)c3cc(ccc3F)F)[S@@](C)(N)O; CN(C(=O) Cc1ccc(cc1)c2cc(F)ccc2F)c3sc(c(C)n3)[S]( C)(N)O; Cc1nc(sc1S(C)(N)O)N(C)C(=O)Cc1cc c(cc1)c1cc(F)ccc1F; CN(C(=O)Cc1ccc(cc1)c 2cc(F)ccc2F)c3sc(c(C)n3)[S@](C)(N)O |
N-{5-[(R)-amino(hydroxy)(methyl)-lambda~4~-sulfanyl]-4-methyl-1,3-thiazol-2-yl}-2-(2',5'-difluoro[1,1'-biphenyl]-4-yl)-N-methylacetamide |
| 14852 |  A1CHD |
2 | C29 H43 N3 O6 | InChI=1S/C29H43N3O6/c1-7- 9-11-16-24(33)32-25(19(5) 21-14-12-10-13-15-21)28(3 6)31-23(17-18(3)4)26(34)2 2(8-2)27(35)30-20(6)29(37 )38/h10-16,18-20,22-23,25 H,7-9,17H2,1-6H3,(H,30,35 )(H,31,36)(H,32,33)(H,37, 38)/b16-11-/t19-,20-,22+, 23-,25-/m0/s1; RLZOIFMWYUSYDW-GSIIADGDSA-N |
CCCC=CC(=O)NC(C(C)c1ccccc1)C(=O)NC(CC(C) C)C(=O)C(CC)C(=O)NC(C)C(=O)O; O=C(O)C(C) NC(=O)C(CC)C(=O)C(CC(C)C)NC(=O)C(NC(=O)/ C=C\CCC)C(C)c1ccccc1; CCC\C=C/C(=O)N[C@@ H]([C@@H](C)c1ccccc1)C(=O)N[C@@H](CC(C)C )C(=O)[C@@H](CC)C(=O)N[C@@H](C)C(O)=O; C CC/C=C\C(=O)N[C@@H]([C@@H](C)c1ccccc1)C( =O)N[C@@H](CC(C)C)C(=O)[C@@H](CC)C(=O)N[ C@@H](C)C(=O)O; CCCC=CC(=O)N[CH]([CH](C) c1ccccc1)C(=O)N[CH](CC(C)C)C(=O)[CH](CC) C(=O)N[CH](C)C(O)=O |
N-[(2R,4S)-2-ethyl-4-({(betaS)-N-[(2Z)-hex-2-enoyl]-beta-methyl-L-phenylalanyl}amino)-6-methyl-3-oxoheptanoyl]-L-alanine |
| 14853 |  A1CHF |
12 | C25 H32 F5 N5 O4 | InChI=1S/C25H32F5N5O4/c1- 23(2,3)18(34-22(39)25(28, 29)30)21(38)35-10-13-14-4 -5-15(24(14,26)27)16(13)1 7(35)20(37)33-12(9-31)8-1 1-6-7-32-19(11)36/h4-5,9, 11-18,31H,6-8,10H2,1-3H3, (H,32,36)(H,33,37)(H,34,3 9)/b31-9-/t11-,12+,13+,14 -,15+,16+,17-,18+/m0/s1; BVAKDPSOHPXNPO-MPZOXFIESA-N |
CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@ H]2[C@H]([C@H]3C=C[C@@H]2C3(F)F)[C@H]1C( =O)N[C@H](C[C@@H]4CCNC4=O)C=N; CC(C)(C)C (C(=O)N1CC2C3C=CC(C2C1C(=O)NC(CC4CCNC4=O )C=N)C3(F)F)NC(=O)C(F)(F)F; FC(F)(F)C(=O )NC(C(=O)N1CC2C(C1C(=O)NC(C=N)CC1CCNC1=O )C1C=CC2C1(F)F)C(C)(C)C; [H]/N=C\[C@@H]( C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@H ](CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F) [C@@H]4C=C[C@H]3C4(F)F; CC(C)(C)[CH](NC( =O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]3C=C[C H]2C3(F)F)[CH]1C(=O)N[CH](C[CH]4CCNC4=O) C=N |
(1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name) |
| 14854 |  A1CHN |
1 | C15 H16 F6 N4 O2 S | InChI=1S/C15H16F6N4O2S/c1 -27-7-10-23-25-9(12(15(19 ,20)21)22-13(25)28-10)6-2 4-5-8(4-11(24)26)2-3-14(1 6,17)18/h8H,2-7H2,1H3/t8- /m0/s1; WZUOWEYSJYNQFH-QMMMGPOBSA-N |
COCc1nn2c(c(nc2s1)C(F)(F)F)CN3CC(CC3=O)C CC(F)(F)F; COCc1nn2c(c(nc2s1)C(F)(F)F)CN 3C[C@H](CC3=O)CCC(F)(F)F; COCc1sc2nc(c(C N3C[CH](CCC(F)(F)F)CC3=O)n2n1)C(F)(F)F; COCc1sc2nc(c(CN3C[C@@H](CCC(F)(F)F)CC3=O )n2n1)C(F)(F)F; FC(F)(F)CCC1CC(=O)N(C1)C c1c(nc2sc(COC)nn12)C(F)(F)F |
(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one |
| 14855 |  A1CHO |
1 | C24 H27 N5 O3 | InChI=1S/C24H27N5O3/c25-2 1-4-3-16-9-15(6-8-30)14(1 0-19(16)28-21)1-2-17-11-2 0(23(32)22(17)31)29-7-5-1 8-12-26-13-27-24(18)29/h3 -5,7,9-10,12-13,17,20,22- 23,30-32H,1-2,6,8,11H2,(H 2,25,28)/t17-,20+,22+,23- /m0/s1; XZLOKSDJSHSIIA-ZECSIRQKSA-N |
Nc1ccc2cc(CCO)c(CC[CH]3C[CH]([CH](O)[CH] 3O)n4ccc5cncnc45)cc2n1; Nc1ccc2cc(CCO)c( CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n4ccc5cn cnc45)cc2n1; c1cc(nc2c1cc(c(c2)CC[C@H]3C [C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5)CC O)N; Nc1nc2cc(CCC3CC(C(O)C3O)n3ccc4cncnc 43)c(CCO)cc2cc1; c1cc(nc2c1cc(c(c2)CCC3C C(C(C3O)O)n4ccc5c4ncnc5)CCO)N |
(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol |
| 14856 |  A1CI0 |
2 | C27 H26 Cl2 F2 N4 O4 | InChI=1S/C27H26Cl2F2N4O4/ c1-39-10-2-9-33-25(37)8-7 -22-26(17-5-4-16(28)12-21 (17)31)18(14-34-22)27(38) 35-23(13-24(32)36)15-3-6- 20(30)19(29)11-15/h3-8,11 -12,14,23,34H,2,9-10,13H2 ,1H3,(H2,32,36)(H,33,37)( H,35,38)/b8-7+/t23-/m0/s1; LYOVEJQNXMPQIE-MNQSQUENSA-N |
COCCCNC(=O)/C=C/c1c(c(c[nH]1)C(=O)N[C@@H ](CC(=O)N)c2ccc(c(c2)Cl)F)c3ccc(cc3F)Cl; COCCCNC(=O)/C=C/c1[nH]cc(C(=O)N[C@@H](C C(N)=O)c2ccc(F)c(Cl)c2)c1c3ccc(Cl)cc3F; O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c( /C=C/C(=O)NCCCOC)c1c1ccc(Cl)cc1F; COCCCN C(=O)C=Cc1c(c(c[nH]1)C(=O)NC(CC(=O)N)c2c cc(c(c2)Cl)F)c3ccc(cc3F)Cl; COCCCNC(=O)C =Cc1[nH]cc(C(=O)N[CH](CC(N)=O)c2ccc(F)c( Cl)c2)c1c3ccc(Cl)cc3F |
(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide |
| 14857 |  A1CI3 CHEMBL4539596 |
1 | C14 H13 N O4 | InChI=1S/C14H13NO4/c1-2-8 -5-3-4-6-9(8)10-7-11(16)1 3(17)12(15-10)14(18)19/h3 -7,17H,2H2,1H3,(H,15,16)( H,18,19); ZVOTZBNDSAQIRQ-UHFFFAOYSA-N |
CCc1ccccc1c2cc(c(c(n2)C(=O)O)O)O; Oc1c(O )cc(nc1C(O)=O)c1ccccc1CC; CCc1ccccc1c2cc (O)c(O)c(n2)C(O)=O |
(6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid |
| 14858 |  A1CI4 CHEMBL4550646 |
2 | C13 H11 N O4 S | InChI=1S/C13H11NO4S/c1-19 -10-5-3-2-4-7(10)8-6-9(15 )12(16)11(14-8)13(17)18/h 2-6,16H,1H3,(H,14,15)(H,1 7,18); AZEGPEPFGDTWGW-UHFFFAOYSA-N |
CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O; CSc 1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O; OC=1C( =O)C=C(NC=1C(O)=O)c1ccccc1SC |
(6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid |
| 14859 |  A1CI5 CHEMBL4460007 |
3 | C18 H13 N O5 | InChI=1S/C18H13NO5/c20-14 -10-13(19-16(17(14)21)18( 22)23)12-8-4-5-9-15(12)24 -11-6-2-1-3-7-11/h1-10,21 H,(H,19,20)(H,22,23); KWCCWLKDJYAVCR-UHFFFAOYSA-N |
c1ccc(cc1)Oc2ccccc2C3=CC(=O)C(=C(N3)C(=O )O)O; OC=1C(=O)C=C(NC=1C(O)=O)c1ccccc1Oc 1ccccc1; OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc c2Oc3ccccc3 |
(6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1,4-dihydropyridine-2-carboxylic acid |
| 14860 |  A1CI6 CHEMBL2087361 DB11737 |
1 | C22 H21 N3 O4 | InChI=1S/C22H21N3O4/c1-2- 16-4-3-5-17(12-16)25-22-1 8-13-20-21(14-19(18)23-15 -24-22)29-11-9-27-7-6-26- 8-10-28-20/h1,3-5,12-15H, 6-11H2,(H,23,24,25); QQLKULDARVNMAL-UHFFFAOYSA-N |
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1 ; C#Cc1cc(ccc1)Nc1ncnc2cc3OCCOCCOCCOc3cc 21; C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOC COCCO4 |
Icotinib; N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine |
| 14861 |  A1CI7 CHEMBL1545550 |
2 | C8 H10 N4 O S | InChI=1S/C8H10N4OS/c1-2-3 -14-8-10-6-5(4-9-12-6)7(1 3)11-8/h4H,2-3H2,1H3,(H2, 9,10,11,12,13); CNXWMVZWQIUZRK-UHFFFAOYSA-N |
CCCSC1=Nc2c(cn[nH]2)C(=O)N1; CCCSC1=Nc2[ nH]ncc2C(=O)N1; CCCSC1=Nc2[NH]ncc2C(=O)N 1 |
6-(propylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| 14862 |  A1CI8 |
2 | C10 H9 N O2 S | InChI=1S/C10H9NO2S/c12-9- 6-8(14-10(13)11-9)7-4-2-1 -3-5-7/h1-5,8H,6H2,(H,11, 12,13)/t8-/m1/s1; RYUNWBGPJCWGPJ-MRVPVSSYSA-N |
c1ccc(cc1)C2CC(=O)NC(=O)S2; O=C1C[CH](SC (=O)N1)c2ccccc2; O=C1NC(=O)CC(S1)c1ccccc 1; c1ccc(cc1)[C@H]2CC(=O)NC(=O)S2; O=C1C [C@@H](SC(=O)N1)c2ccccc2 |
(6R)-6-phenyl-1,3-thiazinane-2,4-dione |
| 14863 |  A1CI9 |
2 | C14 H15 N3 O | InChI=1S/C14H15N3O/c1-10( 2)11-3-5-12(6-4-11)17-14( 18)13-9-15-7-8-16-13/h3-1 0H,1-2H3,(H,17,18); REPKUXPMFWYVDC-UHFFFAOYSA-N |
CC(C)c1ccc(cc1)NC(=O)c2cnccn2; CC(C)c1cc c(NC(=O)c2cnccn2)cc1; O=C(Nc1ccc(cc1)C(C )C)c1cnccn1 |
N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide |
| 14864 |  A1CIF CHEMBL5799855 |
3 | C21 H26 F2 N6 O3 S | InChI=1S/C21H26F2N6O3S/c1 -11(2)29-12(3)25-20-14(22 )7-13(8-17(20)29)19-15(23 )9-24-21(27-19)26-16-5-6- 28(10-18(16)30)33(4,31)32 /h7-9,11,16,18,30H,5-6,10 H2,1-4H3,(H,24,26,27)/t16 -,18-/m1/s1; UKVZKVRVVNTCMR-SJLPKXTDSA-N |
Cc1nc2c(n1C(C)C)cc(cc2F)c3c(cnc(n3)NC4CC N(CC4O)S(=O)(=O)C)F; CC(C)n1c(C)nc2c(F)c c(cc12)c3nc(N[C@@H]4CCN(C[C@H]4O)[S](C)( =O)=O)ncc3F; CC(C)n1c(C)nc2c(F)cc(cc12)c 3nc(N[CH]4CCN(C[CH]4O)[S](C)(=O)=O)ncc3F ; Cc1nc2c(n1C(C)C)cc(cc2F)c3c(cnc(n3)N[C @@H]4CCN(C[C@H]4O)S(=O)(=O)C)F; OC1CN(CC C1Nc1nc(c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)c n1)S(=O)(C)=O |
(3R,4R)-4-({(4M)-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzimidazol-6-yl]pyrimidin-2-yl}amino)-1-(methanesulfonyl)piperidin-3-ol |
| 14865 |  A1CII |
1 | C25 H20 Cl F5 N4 O2 | InChI=1S/C25H20ClF5N4O2/c 1-3-18(36)34-4-5-35-12(9- 34)10-37-17-8-33-23-14(24 (17)35)6-15(26)19(22(23)2 8)13-7-16(32)21(27)11(2)2 0(13)25(29,30)31/h3,6-8,1 2H,1,4-5,9-10,32H2,2H3/t1 2-/m1/s1; DNDDKPAWCOTOAU-GFCCVEGCSA-N |
Cc1c(F)c(N)cc(c2c(Cl)cc3c(ncc4OC[C@H]5CN (CCN5c34)C(=O)C=C)c2F)c1C(F)(F)F; Cc1c(c (cc(c1F)N)c2c(cc3c(c2F)ncc4c3N5CCN(CC5CO 4)C(=O)C=C)Cl)C(F)(F)F; Cc1c(c(cc(c1F)N) c2c(cc3c(c2F)ncc4c3N5CCN(C[C@@H]5CO4)C(= O)C=C)Cl)C(F)(F)F; Cc1c(F)c(N)cc(c2c(Cl) cc3c(ncc4OC[CH]5CN(CCN5c34)C(=O)C=C)c2F) c1C(F)(F)F; FC(F)(F)c1c(C)c(F)c(N)cc1c1c (Cl)cc2c3c(cnc2c1F)OCC1CN(CCN13)C(=O)C=C |
1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one |
| 14866 |  A1CIL |
6 | C5 H9 N O2 | InChI=1S/C5H9NO2/c1-3(2)4 (6)5(7)8/h4H,1,6H2,2H3,(H ,7,8)/t4-/m1/s1; CJNBBWGXTPGZRW-SCSAIBSYSA-N |
CC(=C)C(C(=O)O)N; CC(=C)[CH](N)C(O)=O; C =C(C)C(N)C(=O)O; CC(=C)[C@H](C(=O)O)N; C C(=C)[C@@H](N)C(O)=O |
(2R)-2-amino-3-methylbut-3-enoic acid |
| 14867 |  A1CIO |
12 | C19 H13 Br F3 N5 O S | InChI=1S/C19H13BrF3N5OS/c 20-12-4-1-10(2-5-12)14-8- 24-16(26-14)9-25-17(29)28 -18-27-13-6-3-11(19(21,22 )23)7-15(13)30-18/h1-8H,9 H2,(H,24,26)(H2,25,27,28, 29); OEAUDGBEKDKCMR-UHFFFAOYSA-N |
c1cc(ccc1c2c[nH]c(n2)CNC(=O)Nc3nc4ccc(cc 4s3)C(F)(F)F)Br; FC(F)(F)c1ccc2nc(NC(=O) NCc3[nH]cc(n3)c4ccc(Br)cc4)sc2c1; Brc1cc c(cc1)c1nc([NH]c1)CNC(=O)Nc1nc2ccc(cc2s1 )C(F)(F)F |
N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea |
| 14868 |  A1CIU |
2 | C16 H14 N2 | InChI=1S/C16H14N2/c1-12-4 -2-6-15-14(12)5-3-7-16(15 )18-13-8-10-17-11-9-13/h2 -11H,1H3,(H,17,18); WUHPUCOIAGCLKE-UHFFFAOYSA-N |
Cc1cccc2c1cccc2Nc3ccncc3; Cc1cccc2c(cccc 21)Nc1ccncc1; Cc1cccc2c(Nc3ccncc3)cccc12 |
N-(5-methylnaphthalen-1-yl)pyridin-4-amine |
| 14869 |  A1CIW CHEMBL1346 DB00496 |
1 | C28 H30 N2 O2 | InChI=1S/C28H30N2O2/c29-2 7(31)28(23-7-3-1-4-8-23,2 4-9-5-2-6-10-24)25-14-17- 30(20-25)16-13-21-11-12-2 6-22(19-21)15-18-32-26/h1 -12,19,25H,13-18,20H2,(H2 ,29,31)/t25-/m1/s1; HXGBXQDTNZMWGS-RUZDIDTESA-N |
NC(=O)C([CH]1CCN(CCc2ccc3OCCc3c2)C1)(c4c cccc4)c5ccccc5; NC(=O)C([C@@H]1CCN(CCc2c cc3OCCc3c2)C1)(c4ccccc4)c5ccccc5; NC(=O) C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1cc2CCO c2cc1; c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CC c4ccc5c(c4)CCO5)C(=O)N; c1ccc(cc1)C(c2cc ccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C( =O)N |
darifenacin; 2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide |
| 14870 |  A1CIX |
1 | C17 H16 Cl N3 O | InChI=1S/C17H16ClN3O/c18- 14-4-2-5-16(10-14)21-8-7- 15(20-21)12-19-11-13-3-1- 6-17(22)9-13/h1-10,19,22H ,11-12H2; XIDYSLQGCOJZCS-UHFFFAOYSA-N |
Oc1cccc(c1)CNCc1ccn(n1)c1cc(Cl)ccc1; c1c c(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl; Oc1c ccc(CNCc2ccn(n2)c3cccc(Cl)c3)c1 |
3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol |
| 14871 |  A1CIZ |
2 | C14 H16 N2 | InChI=1S/C14H16N2/c1-16-8 -6-11-4-5-12(9-14(11)16)1 3-3-2-7-15-10-13/h3-6,8-9 ,15H,2,7,10H2,1H3; HGHJTLFFTQPAOS-UHFFFAOYSA-N |
Cn1ccc2ccc(cc12)C3=CCCNC3; Cn1ccc2c1cc(c c2)C3=CCCNC3; Cn1ccc2ccc(cc21)C1=CCCNC1 |
(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole |
| 14872 |  A1CJ0 |
1 | C16 H13 Cl N4 O3 | InChI=1S/C16H13ClN4O3/c17 -10-3-1-9(2-4-10)12(7-13( 22)23)21-16(24)14-11-5-6- 18-15(11)20-8-19-14/h1-6, 8,12H,7H2,(H,21,24)(H,22, 23)(H,18,19,20)/t12-/m0/s 1; OVRVXLSQHCBTFU-LBPRGKRZSA-N |
c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c 3ncn2)Cl; OC(=O)C[CH](NC(=O)c1ncnc2[nH]c cc12)c3ccc(Cl)cc3; c1cc(ccc1C(CC(=O)O)NC (=O)c2c3cc[nH]c3ncn2)Cl; Clc1ccc(cc1)C(C C(=O)O)NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C @H](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Cl)cc3 |
(3S)-3-(4-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14873 |  A1CJ1 |
2 | C15 H13 N5 O3 | InChI=1S/C15H13N5O3/c21-1 2(22)7-11(10-3-1-2-5-16-1 0)20-15(23)13-9-4-6-17-14 (9)19-8-18-13/h1-6,8,11H, 7H2,(H,20,23)(H,21,22)(H, 17,18,19)/t11-/m0/s1; PEMJLQUPMOSBSQ-NSHDSACASA-N |
c1ccnc(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc n2; O=C(O)CC(NC(=O)c1ncnc2[NH]ccc12)c1cc ccn1; c1ccnc(c1)[C@H](CC(=O)O)NC(=O)c2c3 cc[nH]c3ncn2; OC(=O)C[CH](NC(=O)c1ncnc2[ nH]ccc12)c3ccccn3; OC(=O)C[C@H](NC(=O)c1 ncnc2[nH]ccc12)c3ccccn3 |
(3S)-3-(pyridin-2-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14874 |  A1CJ3 |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 -2-4-11(5-3-10)13(8-14(22 )23)21-17(24)15-12-6-7-18 -16(12)20-9-19-15/h2-7,9, 13H,8H2,1H3,(H,21,24)(H,2 2,23)(H,18,19,20)/t13-/m0 /s1; TXPLYWXNXJKSIH-ZDUSSCGKSA-N |
Cc1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH ]c3ncn2; Cc1ccc(cc1)C(CC(=O)O)NC(=O)c1nc nc2[NH]ccc12; Cc1ccc(cc1)C(CC(=O)O)NC(=O )c2c3cc[nH]c3ncn2; Cc1ccc(cc1)[C@H](CC(O )=O)NC(=O)c2ncnc3[nH]ccc23; Cc1ccc(cc1)[ CH](CC(O)=O)NC(=O)c2ncnc3[nH]ccc23 |
(3S)-3-(4-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14875 |  A1CJ4 |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-17 (9-13(22)23,11-5-3-2-4-6- 11)21-16(24)14-12-7-8-18- 15(12)20-10-19-14/h2-8,10 H,9H2,1H3,(H,21,24)(H,22, 23)(H,18,19,20)/t17-/m1/s 1; WMPCAEILPCSLHO-QGZVFWFLSA-N |
CC(CC(=O)O)(c1ccccc1)NC(=O)c2c3cc[nH]c3n cn2; C[C@](CC(O)=O)(NC(=O)c1ncnc2[nH]ccc 12)c3ccccc3; O=C(O)CC(C)(NC(=O)c1ncnc2[N H]ccc12)c1ccccc1; C[C@@](CC(=O)O)(c1cccc c1)NC(=O)c2c3cc[nH]c3ncn2; C[C](CC(O)=O) (NC(=O)c1ncnc2[nH]ccc12)c3ccccc3 |
(3R)-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid |
| 14876 |  A1CJ5 |
1 | C16 H13 F N4 O3 | InChI=1S/C16H13FN4O3/c17- 10-3-1-2-9(6-10)12(7-13(2 2)23)21-16(24)14-11-4-5-1 8-15(11)20-8-19-14/h1-6,8 ,12H,7H2,(H,21,24)(H,22,2 3)(H,18,19,20)/t12-/m1/s1; ISYNGVNWWXQOBD-GFCCVEGCSA-N |
c1cc(cc(c1)F)C(CC(=O)O)NC(=O)c2c3cc[nH]c 3ncn2; c1cc(cc(c1)F)[C@@H](CC(=O)O)NC(=O )c2c3cc[nH]c3ncn2; OC(=O)C[C@@H](NC(=O)c 1ncnc2[nH]ccc12)c3cccc(F)c3; OC(=O)C[CH] (NC(=O)c1ncnc2[nH]ccc12)c3cccc(F)c3; Fc1 cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 |
(3R)-3-(3-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14877 |  A1CJ6 |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 -4-2-3-5-11(10)13(8-14(22 )23)21-17(24)15-12-6-7-18 -16(12)20-9-19-15/h2-7,9, 13H,8H2,1H3,(H,21,24)(H,2 2,23)(H,18,19,20)/t13-/m0 /s1; YKAQCWJNNDHMKK-ZDUSSCGKSA-N |
Cc1ccccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn 2; Cc1ccccc1[C@H](CC(O)=O)NC(=O)c2ncnc3[ nH]ccc23; Cc1ccccc1C(CC(=O)O)NC(=O)c1ncn c2[NH]ccc12; Cc1ccccc1[C@H](CC(=O)O)NC(= O)c2c3cc[nH]c3ncn2; Cc1ccccc1[CH](CC(O)= O)NC(=O)c2ncnc3[nH]ccc23 |
(3S)-3-(2-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14878 |  A1CJ7 |
1 | C16 H13 Cl N4 O3 | InChI=1S/C16H13ClN4O3/c17 -11-4-2-1-3-9(11)12(7-13( 22)23)21-16(24)14-10-5-6- 18-15(10)20-8-19-14/h1-6, 8,12H,7H2,(H,21,24)(H,22, 23)(H,18,19,20)/t12-/m0/s 1; NDNYZXRFPQQRBS-LBPRGKRZSA-N |
c1ccc(c(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3n cn2)Cl; Clc1ccccc1C(CC(=O)O)NC(=O)c1ncnc 2[NH]ccc12; OC(=O)C[CH](NC(=O)c1ncnc2[nH ]ccc12)c3ccccc3Cl; c1ccc(c(c1)[C@H](CC(= O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl; OC(=O)C[C @H](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3Cl |
(3S)-3-(2-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14879 |  A1CJ8 |
2 | C15 H13 N5 O3 | InChI=1S/C15H13N5O3/c21-1 2(22)6-11(9-2-1-4-16-7-9) 20-15(23)13-10-3-5-17-14( 10)19-8-18-13/h1-5,7-8,11 H,6H2,(H,20,23)(H,21,22)( H,17,18,19)/t11-/m0/s1; SAVGAKXOTNOFDA-NSHDSACASA-N |
c1cc(cnc1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc n2; c1cc(cnc1)[C@H](CC(=O)O)NC(=O)c2c3cc [nH]c3ncn2; O=C(O)CC(NC(=O)c1ncnc2[NH]cc c12)c1cccnc1; OC(=O)C[CH](NC(=O)c1ncnc2[ nH]ccc12)c3cccnc3; OC(=O)C[C@H](NC(=O)c1 ncnc2[nH]ccc12)c3cccnc3 |
(3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14880 |  A1CJB CHEMBL5441798 |
1 | C16 H13 Br N4 O3 | InChI=1S/C16H13BrN4O3/c17 -10-3-1-9(2-4-10)12(7-13( 22)23)21-16(24)14-11-5-6- 18-15(11)20-8-19-14/h1-6, 8,12H,7H2,(H,21,24)(H,22, 23)(H,18,19,20)/t12-/m0/s 1; FSOPVDVKYHLXNE-LBPRGKRZSA-N |
c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn 2)Br; c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3c c[nH]c3ncn2)Br; OC(=O)C[C@H](NC(=O)c1ncn c2[nH]ccc12)c3ccc(Br)cc3; OC(=O)C[CH](NC (=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3; Brc1c cc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 |
(3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14881 |  A1CJC CHEMBL5441538 |
1 | C17 H15 Br N4 O3 | InChI=1S/C17H15BrN4O3/c1- 9-20-15(12-6-7-19-16(12)2 1-9)17(25)22-13(8-14(23)2 4)10-2-4-11(18)5-3-10/h2- 7,13H,8H2,1H3,(H,22,25)(H ,23,24)(H,19,20,21)/t13-/ m0/s1; UNULYKHBHJMUQB-ZDUSSCGKSA-N |
Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc (cc3)Br; Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1n c(C)nc2[NH]ccc12; Cc1nc2[nH]ccc2c(n1)C(= O)N[CH](CC(O)=O)c3ccc(Br)cc3; Cc1nc(c2cc [nH]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3) Br; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@@H](CC(O )=O)c3ccc(Br)cc3 |
(3S)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14882 |  A1CJD |
1 | C17 H15 Br N4 O3 | InChI=1S/C17H15BrN4O3/c1- 9-20-15(12-6-7-19-16(12)2 1-9)17(25)22-13(8-14(23)2 4)10-2-4-11(18)5-3-10/h2- 7,13H,8H2,1H3,(H,22,25)(H ,23,24)(H,19,20,21)/t13-/ m1/s1; UNULYKHBHJMUQB-CYBMUJFWSA-N |
Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc (cc3)Br; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@H]( CC(O)=O)c3ccc(Br)cc3; Brc1ccc(cc1)C(CC(= O)O)NC(=O)c1nc(C)nc2[NH]ccc12; Cc1nc2[nH ]ccc2c(n1)C(=O)N[CH](CC(O)=O)c3ccc(Br)cc 3; Cc1nc(c2cc[nH]c2n1)C(=O)N[C@H](CC(=O) O)c3ccc(cc3)Br |
(3R)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14883 |  A1CJE |
1 | C17 H15 Br N4 O3 | InChI=1S/C17H15BrN4O3/c1- 9-7-19-16-14(9)15(20-8-21 -16)17(25)22-12(6-13(23)2 4)10-2-4-11(18)5-3-10/h2- 5,7-8,12H,6H2,1H3,(H,22,2 5)(H,23,24)(H,19,20,21)/t 12-/m1/s1; VHLIYAPQKKKFFO-GFCCVEGCSA-N |
Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]c c(C)c12; Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(= O)O)c3ccc(cc3)Br; Cc1c[nH]c2c1c(ncn2)C(= O)N[C@H](CC(=O)O)c3ccc(cc3)Br; Cc1c[nH]c 2ncnc(C(=O)N[CH](CC(O)=O)c3ccc(Br)cc3)c1 2; Cc1c[nH]c2ncnc(C(=O)N[C@H](CC(O)=O)c3 ccc(Br)cc3)c12 |
(3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14884 |  A1CJF |
1 | C17 H15 Br N4 O3 | InChI=1S/C17H15BrN4O3/c1- 9-7-19-16-14(9)15(20-8-21 -16)17(25)22-12(6-13(23)2 4)10-2-4-11(18)5-3-10/h2- 5,7-8,12H,6H2,1H3,(H,22,2 5)(H,23,24)(H,19,20,21)/t 12-/m0/s1; VHLIYAPQKKKFFO-LBPRGKRZSA-N |
Cc1c[nH]c2ncnc(C(=O)N[C@@H](CC(O)=O)c3cc c(Br)cc3)c12; Brc1ccc(cc1)C(CC(=O)O)NC(= O)c1ncnc2[NH]cc(C)c12; Cc1c[nH]c2c1c(ncn 2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)Br; Cc1 c[nH]c2c1c(ncn2)C(=O)NC(CC(=O)O)c3ccc(cc 3)Br; Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O) c3ccc(Br)cc3)c12 |
(3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14885 |  A1CJG |
4 | C27 H40 O4 | InChI=1S/C27H40O4/c1-5-6- 7-8-24(30)31-27(18(2)28)1 6-13-23-21-10-9-19-17-20( 29)11-14-25(19,3)22(21)12 -15-26(23,27)4/h17,21-23H ,5-16H2,1-4H3/t21-,22-,23 -,25-,26-,27-/m1/s1; DOMWKUIIPQCAJU-HZQFOQKQSA-N |
CCCCCC(=O)O[C@]1(CC[C@@H]2[C@@H]3CCC4=CC (=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)=O; CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)C CC34C)C)C(=O)C; CCCCCC(=O)O[C@]1(CC[C@H] 2[C@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@] 34C)C)C(=O)C; CC(=O)C1(OC(=O)CCCCC)CCC2C 3CCC4=CC(=O)CCC4(C)C3CCC21C; CCCCCC(=O)O [C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH ]3CC[C]12C)C(C)=O |
[(8~{R},9~{R},10~{S},13~{R},14~{R},17~{S})-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl] hexanoate |
| 14886 |  A1CJH |
2 | C14 H10 N2 O4 | InChI=1S/C14H10N2O4/c1-9- 7-12(16-20-9)14(19)15-11- 4-2-3-10(8-11)5-6-13(17)1 8/h2-4,7-8H,1H3,(H,15,19) (H,17,18); BOLNIAQMQMMEAF-UHFFFAOYSA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O; Cc1 onc(c1)C(=O)Nc2cccc(c2)C#CC(O)=O; Cc1cc( no1)C(=O)Nc1cc(C#CC(=O)O)ccc1 |
3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynoic acid |
| 14887 |  A1CJI |
0 | C32 H60 N3 O11 P S | InChI=1S/C32H60N3O11PS/c1 -4-5-6-7-8-9-10-11-12-13- 14-15-16-17-18-19-26(37)4 8-23-22-34-25(36)20-21-35 -29(39)28(38)32(2,3)24-45 -47(43,44)46-31(42)27(33) 30(40)41/h27-28,38H,4-24, 33H2,1-3H3,(H,34,36)(H,35 ,39)(H,40,41)(H,43,44)/t2 7-,28+/m1/s1; AANFNLMGYGZULA-IZLXSDGUSA-N |
CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[ CH](O)C(C)(C)CO[P](O)(=O)OC(=O)[CH](N)C( O)=O; CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCN C(=O)C(C(C)(C)COP(=O)(O)OC(=O)C(C(=O)O)N )O; CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC( =O)[C@@H](C(C)(C)COP(=O)(O)OC(=O)[C@@H]( C(=O)O)N)O; CCCCCCCCCCCCCCCCCC(=O)SCCNC( =O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)OC (=O)[C@H](N)C(O)=O; O=C(CCCCCCCCCCCCCCCC C)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O) OC(=O)C(N)C(=O)O |
O-[(R)-hydroxy{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutoxy}phosphoryl]-3-oxo-L-serine |
| 14888 |  A1CJJ |
2 | C18 H19 N3 O4 | InChI=1S/C18H19N3O4/c1-3- 15(22)11-19-17(23)8-7-13- 5-4-6-14(10-13)20-18(24)1 6-9-12(2)25-21-16/h4-6,9- 10,15,22H,3,11H2,1-2H3,(H ,19,23)(H,20,24)/t15-/m1/ s1; DGIPRXQUEIVMND-OAHLLOKOSA-N |
CC[C@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(o n2)C)O; CC[C@@H](O)CNC(=O)C#Cc1cccc(NC(= O)c2cc(C)on2)c1; CCC(CNC(=O)C#Cc1cccc(c1 )NC(=O)c2cc(on2)C)O; CC[CH](O)CNC(=O)C#C c1cccc(NC(=O)c2cc(C)on2)c1; Cc1cc(no1)C( =O)Nc1cc(C#CC(=O)NCC(O)CC)ccc1 |
N-[3-(3-{[(2R)-2-hydroxybutyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 14889 |  A1CJK |
3 | C22 H19 N3 O4 | InChI=1S/C22H19N3O4/c1-15 -12-19(25-29-15)22(28)23- 18-9-5-6-16(13-18)10-11-2 1(27)24-20(14-26)17-7-3-2 -4-8-17/h2-9,12-13,20,26H ,14H2,1H3,(H,23,28)(H,24, 27)/t20-/m1/s1; CNNFJBGHADUJRI-HXUWFJFHSA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(CO) c3ccccc3; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)N C(CO)c2ccccc2)ccc1; Cc1onc(c1)C(=O)Nc2cc cc(c2)C#CC(=O)N[CH](CO)c3ccccc3; Cc1onc( c1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@H](CO)c3c cccc3; Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O )N[C@H](CO)c3ccccc3 |
N-[3-(3-{[(1S)-2-hydroxy-1-phenylethyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 14890 |  A1CJL |
1 | C17 H17 N3 O5 | InChI=1S/C17H17N3O5/c1-11 -7-15(20-25-11)17(24)19-1 3-4-2-3-12(8-13)5-6-16(23 )18-9-14(22)10-21/h2-4,7- 8,14,21-22H,9-10H2,1H3,(H ,18,23)(H,19,24)/t14-/m1/ s1; GHIQANNJNVHKPU-CQSZACIVSA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NCC(CO )O; Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)NC [C@@H](O)CO; Cc1cc(no1)C(=O)Nc2cccc(c2)C #CC(=O)NC[C@H](CO)O; Cc1onc(c1)C(=O)Nc2c ccc(c2)C#CC(=O)NC[CH](O)CO; Cc1cc(no1)C( =O)Nc1cc(C#CC(=O)NCC(O)CO)ccc1 |
N-[3-(3-{[(2R)-2,3-dihydroxypropyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 14891 |  A1CJM |
1 | C20 H19 N5 O4 | InChI=1S/C20H19N5O4/c1-13 -7-18(25-29-13)20(28)24-1 5-4-2-3-14(8-15)5-6-19(27 )23-17(11-26)9-16-10-21-1 2-22-16/h2-4,7-8,10,12,17 ,26H,9,11H2,1H3,(H,21,22) (H,23,27)(H,24,28)/t17-/m 0/s1; PMDKHIVXRMHXIT-KRWDZBQOSA-N |
Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)NC(Cc2c[NH] cn2)CO)ccc1; Cc1cc(no1)C(=O)Nc2cccc(c2)C #CC(=O)N[C@@H](Cc3c[nH]cn3)CO; Cc1cc(no1 )C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3c[nH]cn3) CO; Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[ CH](CO)Cc3c[nH]cn3; Cc1onc(c1)C(=O)Nc2cc cc(c2)C#CC(=O)N[C@H](CO)Cc3c[nH]cn3 |
N-[3-(3-{[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 14892 |  A1CJN |
1 | C23 H21 N3 O4 | InChI=1S/C23H21N3O4/c1-16 -12-21(26-30-16)23(29)25- 19-9-5-8-18(13-19)10-11-2 2(28)24-20(15-27)14-17-6- 3-2-4-7-17/h2-9,12-13,20, 27H,14-15H2,1H3,(H,24,28) (H,25,29)/t20-/m0/s1; WSDCCYXRBNZEMT-FQEVSTJZSA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3 ccccc3)CO; Cc1cc(no1)C(=O)Nc2cccc(c2)C#C C(=O)N[C@@H](Cc3ccccc3)CO; Cc1cc(no1)C(= O)Nc1cc(C#CC(=O)NC(Cc2ccccc2)CO)ccc1; Cc 1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[CH](CO )Cc3ccccc3; Cc1onc(c1)C(=O)Nc2cccc(c2)C# CC(=O)N[C@H](CO)Cc3ccccc3 |
N-[3-(3-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| 14893 |  A1CJO |
1 | C26 H23 F2 N3 O6 | InChI=1S/C26H23F2N3O6/c1- 15-8-23(31-37-15)26(35)30 -18-5-3-4-16(9-18)6-7-24( 33)29-19(14-32)10-17-11-2 1(27)20(22(28)12-17)13-25 (34)36-2/h3-5,8-9,11-12,1 9,32H,10,13-14H2,1-2H3,(H ,29,33)(H,30,35)/t19-/m0/ s1; QQWQTAQLXYVABN-IBGZPJMESA-N |
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3 cc(c(c(c3)F)CC(=O)OC)F)CO; COC(=O)Cc1c(F )cc(C[CH](CO)NC(=O)C#Cc2cccc(NC(=O)c3cc( C)on3)c2)cc1F; Cc1cc(no1)C(=O)Nc2cccc(c2 )C#CC(=O)N[C@@H](Cc3cc(c(c(c3)F)CC(=O)OC )F)CO; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)NC(C c2cc(F)c(CC(=O)OC)c(F)c2)CO)ccc1; COC(=O )Cc1c(F)cc(C[C@@H](CO)NC(=O)C#Cc2cccc(NC (=O)c3cc(C)on3)c2)cc1F |
methyl {2,6-difluoro-4-[(2S)-3-hydroxy-2-(3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynamido)propyl]phenyl}acetate |
| 14894 |  A1CJP |
3 | C26 H24 Cl N3 O6 | InChI=1S/C26H24ClN3O6/c1- 16-10-23(30-36-16)26(34)2 9-20-5-3-4-17(11-20)7-9-2 4(32)28-21(15-31)12-18-6- 8-19(22(27)13-18)14-25(33 )35-2/h3-6,8,10-11,13,21, 31H,12,14-15H2,1-2H3,(H,2 8,32)(H,29,34)/t21-/m0/s1; DCBGXBVZKIQSLL-NRFANRHFSA-N |
COC(=O)Cc1ccc(C[CH](CO)NC(=O)C#Cc2cccc(N C(=O)c3cc(C)on3)c2)cc1Cl; COC(=O)Cc1ccc( C[C@@H](CO)NC(=O)C#Cc2cccc(NC(=O)c3cc(C) on3)c2)cc1Cl; Cc1cc(no1)C(=O)Nc1cc(C#CC( =O)NC(Cc2ccc(CC(=O)OC)c(Cl)c2)CO)ccc1; C c1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3c cc(c(c3)Cl)CC(=O)OC)CO; Cc1cc(no1)C(=O)N c2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c(c3)Cl )CC(=O)OC)CO |
methyl {2-chloro-4-[(2S)-3-hydroxy-2-(3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynamido)propyl]phenyl}acetate |
| 14895 |  A1CJQ |
3 | C30 H26 F N3 O5 | InChI=1S/C30H26FN3O5/c1-2 0-14-27(34-39-20)30(37)33 -24-9-5-8-21(15-24)11-13- 29(36)32-25(18-35)16-23-1 0-12-28(26(31)17-23)38-19 -22-6-3-2-4-7-22/h2-10,12 ,14-15,17,25,35H,16,18-19 H2,1H3,(H,32,36)(H,33,37) /t25-/m0/s1; KTXQMWHLAOWRAR-VWLOTQADSA-N |
Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@H] (CO)Cc3ccc(OCc4ccccc4)c(F)c3; Cc1cc(no1) C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c (c3)F)OCc4ccccc4)CO; Cc1onc(c1)C(=O)Nc2c ccc(c2)C#CC(=O)N[CH](CO)Cc3ccc(OCc4ccccc 4)c(F)c3; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)N C(Cc2ccc(OCc3ccccc3)c(F)c2)CO)ccc1; Cc1c c(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3ccc( c(c3)F)OCc4ccccc4)CO |
N-{3-[3-({(2S)-1-[4-(benzyloxy)-3-fluorophenyl]-3-hydroxypropan-2-yl}amino)-3-oxoprop-1-yn-1-yl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide |
| 14896 |  A1CJR |
1 | C15 H12 Br N5 O3 | InChI=1S/C15H12BrN5O3/c16 -9-3-1-8(2-4-9)10(5-11(22 )23)21-15(24)13-12-14(19- 6-17-12)20-7-18-13/h1-4,6 -7,10H,5H2,(H,21,24)(H,22 ,23)(H,17,18,19,20)/t10-/ m0/s1; SHPMZPONFDRNOU-JTQLQIEISA-N |
c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3c([nH]c n3)ncn2)Br; OC(=O)C[C@H](NC(=O)c1ncnc2[n H]cnc12)c3ccc(Br)cc3; Brc1ccc(cc1)C(CC(= O)O)NC(=O)c1ncnc2[NH]cnc12; c1cc(ccc1C(C C(=O)O)NC(=O)c2c3c([nH]cn3)ncn2)Br; OC(= O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc(Br) cc3 |
(3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid |
| 14897 |  A1CJS |
1 | C15 H12 Br N5 O3 | InChI=1S/C15H12BrN5O3/c16 -9-3-1-8(2-4-9)10(5-11(22 )23)21-15(24)13-12-14(19- 6-17-12)20-7-18-13/h1-4,6 -7,10H,5H2,(H,21,24)(H,22 ,23)(H,17,18,19,20)/t10-/ m1/s1; SHPMZPONFDRNOU-SNVBAGLBSA-N |
Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]c nc12; c1cc(ccc1C(CC(=O)O)NC(=O)c2c3c([nH ]cn3)ncn2)Br; c1cc(ccc1[C@@H](CC(=O)O)NC (=O)c2c3c([nH]cn3)ncn2)Br; OC(=O)C[CH](N C(=O)c1ncnc2[nH]cnc12)c3ccc(Br)cc3; OC(= O)C[C@@H](NC(=O)c1ncnc2[nH]cnc12)c3ccc(B r)cc3 |
(3R)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid |
| 14898 |  A1CJT |
1 | C17 H15 Br N4 O3 | InChI=1S/C17H15BrN4O3/c1- 9-6-10(18)2-3-11(9)13(7-1 4(23)24)22-17(25)15-12-4- 5-19-16(12)21-8-20-15/h2- 6,8,13H,7H2,1H3,(H,22,25) (H,23,24)(H,19,20,21)/t13 -/m1/s1; HNUSOTYOPVBELS-CYBMUJFWSA-N |
Cc1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH ]c3ncn2)Br; Brc1ccc(c(C)c1)C(CC(=O)O)NC( =O)c1ncnc2[NH]ccc12; Cc1cc(Br)ccc1[CH](C C(O)=O)NC(=O)c2ncnc3[nH]ccc23; Cc1cc(ccc 1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br; Cc 1cc(Br)ccc1[C@@H](CC(O)=O)NC(=O)c2ncnc3[ nH]ccc23 |
(3R)-3-(4-bromo-2-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14899 |  A1CJV |
1 | C16 H14 N4 O4 | InChI=1S/C16H14N4O4/c21-1 0-3-1-9(2-4-10)12(7-13(22 )23)20-16(24)14-11-5-6-17 -15(11)19-8-18-14/h1-6,8, 12,21H,7H2,(H,20,24)(H,22 ,23)(H,17,18,19)/t12-/m1/ s1; PCMJJRHLOPNZKL-GFCCVEGCSA-N |
c1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH] c3ncn2)O; OC(=O)C[CH](NC(=O)c1ncnc2[nH]c cc12)c3ccc(O)cc3; c1cc(ccc1C(CC(=O)O)NC( =O)c2c3cc[nH]c3ncn2)O; Oc1ccc(cc1)C(CC(= O)O)NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C@@H ](NC(=O)c1ncnc2[nH]ccc12)c3ccc(O)cc3 |
(3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14900 |  A1CJW |
1 | C16 H14 N4 O4 | InChI=1S/C16H14N4O4/c21-1 0-3-1-9(2-4-10)12(7-13(22 )23)20-16(24)14-11-5-6-17 -15(11)19-8-18-14/h1-6,8, 12,21H,7H2,(H,20,24)(H,22 ,23)(H,17,18,19)/t12-/m0/ s1; PCMJJRHLOPNZKL-LBPRGKRZSA-N |
c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c 3ncn2)O; OC(=O)C[CH](NC(=O)c1ncnc2[nH]cc c12)c3ccc(O)cc3; c1cc(ccc1C(CC(=O)O)NC(= O)c2c3cc[nH]c3ncn2)O; OC(=O)C[C@H](NC(=O )c1ncnc2[nH]ccc12)c3ccc(O)cc3; Oc1ccc(cc 1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12 |
(3S)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14901 |  A1CJX |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 (17(23)24)13(11-5-3-2-4-6 -11)21-16(22)14-12-7-8-18 -15(12)20-9-19-14/h2-10,1 3H,1H3,(H,21,22)(H,23,24) (H,18,19,20)/t10-,13+/m1/ s1; BMKUHSLLVIXDSE-MFKMUULPSA-N |
C[C@H]([C@H](NC(=O)c1ncnc2[nH]ccc12)c3cc ccc3)C(O)=O; CC(C(c1ccccc1)NC(=O)c2c3cc[ nH]c3ncn2)C(=O)O; O=C(O)C(C)C(NC(=O)c1nc nc2[NH]ccc12)c1ccccc1; C[C@H]([C@@H](c1c cccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O; C[C H]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3) C(O)=O |
(2R,3S)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14902 |  A1CJY |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 (17(23)24)13(11-5-3-2-4-6 -11)21-16(22)14-12-7-8-18 -15(12)20-9-19-14/h2-10,1 3H,1H3,(H,21,22)(H,23,24) (H,18,19,20)/t10-,13+/m0/ s1; BMKUHSLLVIXDSE-GXFFZTMASA-N |
CC(C(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2)C(= O)O; O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12) c1ccccc1; C[C@@H]([C@H](c1ccccc1)NC(=O)c 2c3cc[nH]c3ncn2)C(=O)O; C[C@@H]([C@@H](N C(=O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O; C [CH]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc 3)C(O)=O |
(2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14903 |  A1CJZ |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 -3-2-4-11(7-10)13(8-14(22 )23)21-17(24)15-12-5-6-18 -16(12)20-9-19-15/h2-7,9, 13H,8H2,1H3,(H,21,24)(H,2 2,23)(H,18,19,20)/t13-/m1 /s1; SYPPYTKGVIISPX-CYBMUJFWSA-N |
Cc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc c12; Cc1cccc(c1)[C@@H](CC(O)=O)NC(=O)c2n cnc3[nH]ccc23; Cc1cccc(c1)C(CC(=O)O)NC(= O)c2c3cc[nH]c3ncn2; Cc1cccc(c1)[CH](CC(O )=O)NC(=O)c2ncnc3[nH]ccc23; Cc1cccc(c1)[ C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2 |
(3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14904 |  A1CK0 |
1 | C16 H17 N O S | InChI=1S/C16H17NOS/c1-12( 10-11-18)13-4-6-14(7-5-13 )15-8-9-16(19-15)17(2)3/h 4-11H,1-3H3/b12-10+; VMXLCJJGFZQXJT-ZRDIBKRKSA-N |
CN(C)c1sc(cc1)c2ccc(cc2)\C(C)=C\C=O; C/C (=C\C=O)/c1ccc(cc1)c2ccc(s2)N(C)C; CC(=C C=O)c1ccc(cc1)c2ccc(s2)N(C)C; CN(C)c1sc( cc1)c2ccc(cc2)C(C)=CC=O; CN(C)c1ccc(s1)c 1ccc(cc1)C(\C)=C\C=O |
(2E)-3-{4-[5-(dimethylamino)thiophen-2-yl]phenyl}but-2-enal |
| 14905 |  A1CK1 |
4 | C18 H19 N O | InChI=1S/C18H19NO/c1-14(1 2-13-20)15-4-6-16(7-5-15) 17-8-10-18(11-9-17)19(2)3 /h4-13H,1-3H3/b14-12+; YOIKKFCMZQGGQZ-WYMLVPIESA-N |
C/C(=C\C=O)/c1ccc(cc1)c2ccc(cc2)N(C)C; C N(C)c1ccc(cc1)c1ccc(cc1)C(\C)=C\C=O; CC( =CC=O)c1ccc(cc1)c2ccc(cc2)N(C)C; CN(C)c1 ccc(cc1)c2ccc(cc2)\C(C)=C\C=O; CN(C)c1cc c(cc1)c2ccc(cc2)C(C)=CC=O |
(2E)-3-[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]but-2-enal |
| 14906 |  A1CK4 |
0 | C11 H11 Cl3 O2 S | InChI=1S/C11H11Cl3O2S/c1- 5(2)10(11(15)16)17-9-4-7( 13)6(12)3-8(9)14/h3-5,10H ,1-2H3,(H,15,16)/t10-/m1/ s1; NZZHJGDJZXXDGX-SNVBAGLBSA-N |
CC(C)[CH](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O; Cl c1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl; CC(C)[C @@H](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O; CC(C)[C @H](C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl; CC(C)C(C (=O)O)Sc1cc(c(cc1Cl)Cl)Cl |
(2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid |
| 14907 |  A1CK6 CHEMBL4782949 |
2 | C10 H16 N2 O3 S | InChI=1S/C10H16N2O3S/c13- 8(14)4-2-1-3-7-9-6(5-16-7 )11-10(15)12-9/h6-7,9H,1- 5H2,(H,13,14)(H2,11,12,15 )/t6-,7-,9-/m1/s1; YBJHBAHKTGYVGT-ZXFLCMHBSA-N |
OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12; C1[ C@@H]2[C@H](C(S1)CCCCC(=O)O)NC(=O)N2; OC (=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12; O =C1NC2C(CCCCC(=O)O)SCC2N1; C1C2C(C(S1)CC CCC(=O)O)NC(=O)N2 |
5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid; L-Biotin |
| 14908 |  A1CKA |
1 | C16 H13 F N4 O3 | InChI=1S/C16H13FN4O3/c17- 10-3-1-9(2-4-10)12(7-13(2 2)23)21-16(24)14-11-5-6-1 8-15(11)20-8-19-14/h1-6,8 ,12H,7H2,(H,21,24)(H,22,2 3)(H,18,19,20)/t12-/m0/s1; XQKDBXAKZGIFNS-LBPRGKRZSA-N |
c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c 3ncn2)F; Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1nc nc2[NH]ccc12; OC(=O)C[CH](NC(=O)c1ncnc2[ nH]ccc12)c3ccc(F)cc3; OC(=O)C[C@H](NC(=O )c1ncnc2[nH]ccc12)c3ccc(F)cc3; c1cc(ccc1 C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)F |
(3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14909 |  A1CKB |
1 | C15 H13 N5 O3 | InChI=1S/C15H13N5O3/c21-1 1(22)6-10(9-4-2-1-3-5-9)2 0-15(23)13-12-14(18-7-16- 12)19-8-17-13/h1-5,7-8,10 H,6H2,(H,20,23)(H,21,22)( H,16,17,18,19)/t10-/m0/s1; FITCGCGTYNVVDR-JTQLQIEISA-N |
OC(=O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc cc3; O=C(O)CC(NC(=O)c1ncnc2[NH]cnc12)c1c cccc1; c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c 3c([nH]cn3)ncn2; c1ccc(cc1)C(CC(=O)O)NC( =O)c2c3c([nH]cn3)ncn2; OC(=O)C[C@H](NC(= O)c1ncnc2[nH]cnc12)c3ccccc3 |
(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid |
| 14910 |  A1CKC |
1 | C16 H13 Cl N4 O3 | InChI=1S/C16H13ClN4O3/c17 -10-3-1-2-9(6-10)12(7-13( 22)23)21-16(24)14-11-4-5- 18-15(11)20-8-19-14/h1-6, 8,12H,7H2,(H,21,24)(H,22, 23)(H,18,19,20)/t12-/m0/s 1; CWLLZKUWCFZUGJ-LBPRGKRZSA-N |
OC(=O)C[C@H](NC(=O)c1ncnc2[nH]ccc12)c3cc cc(Cl)c3; Clc1cccc(c1)C(CC(=O)O)NC(=O)c1 ncnc2[NH]ccc12; c1cc(cc(c1)Cl)[C@H](CC(= O)O)NC(=O)c2c3cc[nH]c3ncn2; OC(=O)C[CH]( NC(=O)c1ncnc2[nH]ccc12)c3cccc(Cl)c3; c1c c(cc(c1)Cl)C(CC(=O)O)NC(=O)c2c3cc[nH]c3n cn2 |
(3S)-3-(3-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14911 |  A1CKD |
1 | C16 H13 F N4 O3 | InChI=1S/C16H13FN4O3/c17- 11-4-2-1-3-9(11)12(7-13(2 2)23)21-16(24)14-10-5-6-1 8-15(10)20-8-19-14/h1-6,8 ,12H,7H2,(H,21,24)(H,22,2 3)(H,18,19,20)/t12-/m1/s1; PNKDDNMYCPKPMN-GFCCVEGCSA-N |
OC(=O)C[C@@H](NC(=O)c1ncnc2[nH]ccc12)c3c cccc3F; c1ccc(c(c1)[C@@H](CC(=O)O)NC(=O) c2c3cc[nH]c3ncn2)F; Fc1ccccc1C(CC(=O)O)N C(=O)c1ncnc2[NH]ccc12; c1ccc(c(c1)C(CC(= O)O)NC(=O)c2c3cc[nH]c3ncn2)F; OC(=O)C[CH ](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3F |
(3R)-3-(2-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14912 |  A1CKE |
1 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 -8-18-16-14(10)15(19-9-20 -16)17(24)21-12(7-13(22)2 3)11-5-3-2-4-6-11/h2-6,8- 9,12H,7H2,1H3,(H,21,24)(H ,22,23)(H,18,19,20)/t12-/ m0/s1; LPHYGEJETNSAFW-LBPRGKRZSA-N |
Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)c3cccc c3)c12; Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O )O)c3ccccc3; O=C(O)CC(NC(=O)c1ncnc2[NH]c c(C)c12)c1ccccc1; Cc1c[nH]c2c1c(ncn2)C(= O)N[C@@H](CC(=O)O)c3ccccc3; Cc1c[nH]c2nc nc(C(=O)N[C@@H](CC(O)=O)c3ccccc3)c12 |
(3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid |
| 14913 |  A1CKF |
2 | C17 H16 N4 O3 | InChI=1S/C17H16N4O3/c1-10 -19-15(12-7-8-18-16(12)20 -10)17(24)21-13(9-14(22)2 3)11-5-3-2-4-6-11/h2-8,13 H,9H2,1H3,(H,21,24)(H,22, 23)(H,18,19,20)/t13-/m0/s 1; GGAMLCHYIQGMOI-ZDUSSCGKSA-N |
Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc cc3; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@@H](CC( O)=O)c3ccccc3; Cc1nc2[nH]ccc2c(n1)C(=O)N [CH](CC(O)=O)c3ccccc3; O=C(O)CC(NC(=O)c1 nc(C)nc2[NH]ccc12)c1ccccc1; Cc1nc(c2cc[n H]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccccc3 |
(3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid |
| 14914 |  A1CKH |
1 | C16 H14 N4 O4 | InChI=1S/C16H14N4O4/c21-1 0-3-1-2-9(6-10)12(7-13(22 )23)20-16(24)14-11-4-5-17 -15(11)19-8-18-14/h1-6,8, 12,21H,7H2,(H,20,24)(H,22 ,23)(H,17,18,19)/t12-/m1/ s1; DWVIVBHPMUXUQD-GFCCVEGCSA-N |
OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc c(O)c3; c1cc(cc(c1)O)[C@@H](CC(=O)O)NC(= O)c2c3cc[nH]c3ncn2; Oc1cccc(c1)C(CC(=O)O )NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C@@H](N C(=O)c1ncnc2[nH]ccc12)c3cccc(O)c3; c1cc( cc(c1)O)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2 |
(3R)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14915 |  A1CKI |
1 | C16 H14 N4 O4 | InChI=1S/C16H14N4O4/c21-1 0-3-1-2-9(6-10)12(7-13(22 )23)20-16(24)14-11-4-5-17 -15(11)19-8-18-14/h1-6,8, 12,21H,7H2,(H,20,24)(H,22 ,23)(H,17,18,19)/t12-/m0/ s1; DWVIVBHPMUXUQD-LBPRGKRZSA-N |
c1cc(cc(c1)O)[C@H](CC(=O)O)NC(=O)c2c3cc[ nH]c3ncn2; OC(=O)C[CH](NC(=O)c1ncnc2[nH] ccc12)c3cccc(O)c3; Oc1cccc(c1)C(CC(=O)O) NC(=O)c1ncnc2[NH]ccc12; c1cc(cc(c1)O)C(C C(=O)O)NC(=O)c2c3cc[nH]c3ncn2; OC(=O)C[C @H](NC(=O)c1ncnc2[nH]ccc12)c3cccc(O)c3 |
(3S)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14916 |  A1CKJ |
1 | C16 H14 N4 O4 | InChI=1S/C16H14N4O4/c21-1 3(16(23)24)11(9-4-2-1-3-5 -9)20-15(22)12-10-6-7-17- 14(10)19-8-18-12/h1-8,11, 13,21H,(H,20,22)(H,23,24) (H,17,18,19)/t11-,13+/m0/ s1; CFFIXNXNTHRLJK-WCQYABFASA-N |
c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)NC(=O)c2 c3cc[nH]c3ncn2; c1ccc(cc1)C(C(C(=O)O)O)N C(=O)c2c3cc[nH]c3ncn2; O[C@H]([C@@H](NC( =O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O; O[C H]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3) C(O)=O; O=C(O)C(O)C(NC(=O)c1ncnc2[NH]ccc 12)c1ccccc1 |
(2R,3S)-2-hydroxy-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14917 |  A1CKK |
2 | C16 H13 Cl N4 O3 | InChI=1S/C16H13ClN4O3/c17 -16-20-13(10-6-7-18-14(10 )21-16)15(24)19-11(8-12(2 2)23)9-4-2-1-3-5-9/h1-7,1 1H,8H2,(H,19,24)(H,22,23) (H,18,20,21)/t11-/m0/s1; XAHBKMQEQUARBH-NSHDSACASA-N |
c1ccc(cc1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc (n2)Cl; OC(=O)C[CH](NC(=O)c1nc(Cl)nc2[nH ]ccc12)c3ccccc3; O=C(O)CC(NC(=O)c1nc(Cl) nc2[NH]ccc12)c1ccccc1; c1ccc(cc1)[C@H](C C(=O)O)NC(=O)c2c3cc[nH]c3nc(n2)Cl; OC(=O )C[C@H](NC(=O)c1nc(Cl)nc2[nH]ccc12)c3ccc cc3 |
(3S)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid |
| 14918 |  A1CKL |
1 | C16 H14 N4 O3 | InChI=1S/C16H14N4O3/c21-1 3(22)8-12(10-4-2-1-3-5-10 )20-16(23)14-11-6-7-17-15 (11)19-9-18-14/h1-7,9,12H ,8H2,(H,20,23)(H,21,22)(H ,17,18,19)/t12-/m0/s1; DSQVRPGBZMQFOG-LBPRGKRZSA-N |
c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH] c3ncn2; OC(=O)C[C@H](NC(=O)c1ncnc2[nH]cc c12)c3ccccc3; c1ccc(cc1)C(CC(=O)O)NC(=O) c2c3cc[nH]c3ncn2; OC(=O)C[CH](NC(=O)c1nc nc2[nH]ccc12)c3ccccc3; O=C(O)CC(NC(=O)c1 ncnc2[NH]ccc12)c1ccccc1 |
(3S)-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid |
| 14919 |  A1CKM |
0 | C17 H16 N2 O3 S | InChI=1S/C17H16N2O3S/c1-3 -12(17(21)22)19-9-18-15-1 4(16(19)20)13(10(2)23-15) 11-7-5-4-6-8-11/h4-9,12H, 3H2,1-2H3,(H,21,22)/t12-/ m1/s1; LGPFPZPACCUANZ-GFCCVEGCSA-N |
CCC(C(=O)O)N1C=Nc2c(c(c(s2)C)c3ccccc3)C1 =O; CC[CH](N1C=Nc2sc(C)c(c3ccccc3)c2C1=O )C(O)=O; CC[C@H](C(=O)O)N1C=Nc2c(c(c(s2) C)c3ccccc3)C1=O; O=C(O)C(CC)N1C=Nc2sc(C) c(c2C1=O)c1ccccc1; CC[C@@H](N1C=Nc2sc(C) c(c3ccccc3)c2C1=O)C(O)=O |
(2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid |
| 14920 |  A1CKN |
0 | C19 H21 Cl O2 S2 | InChI=1S/C19H21ClO2S2/c1- 14-5-9-17(10-6-14)24-18(1 9(21)22)4-2-3-13-23-16-11 -7-15(20)8-12-16/h5-12,18 H,2-4,13H2,1H3,(H,21,22)/ t18-/m1/s1; HVFVCYLTDOVLAM-GOSISDBHSA-N |
Cc1ccc(S[CH](CCCCSc2ccc(Cl)cc2)C(O)=O)cc 1; Cc1ccc(S[C@H](CCCCSc2ccc(Cl)cc2)C(O)= O)cc1; Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O) O)cc1; Cc1ccc(cc1)SC(CCCCSc2ccc(cc2)Cl)C (=O)O; Cc1ccc(cc1)S[C@H](CCCCSc2ccc(cc2) Cl)C(=O)O |
(2R)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid |
| 14921 |  A1CKP |
2 | C23 H24 N8 O | InChI=1S/C23H24N8O/c1-15( 2)27-20-10-21(23-4-3-18-9 -16(11-24)12-26-31(18)23) 25-13-19(20)22-14-30(29-2 8-22)17-5-7-32-8-6-17/h3- 4,9-10,12-15,17H,5-8H2,1- 2H3,(H,25,27); RHQVHRVEDCPJPR-UHFFFAOYSA-N |
CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n 4ncc(c5)C#N; CC(C)Nc1cc(ncc1c2cn(nn2)C3C COCC3)c4ccc5cc(cnn45)C#N; CC(C)Nc1cc(ncc 1c1nnn(c1)C1CCOCC1)c1ccc2cc(C#N)cnn21 |
(7P,8S)-7-{(5M)-5-[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]-4-[(propan-2-yl)amino]pyridin-2-yl}pyrrolo[1,2-b]pyridazine-3-carbonitrile |
| 14922 |  A1CKQ |
4 | C26 H28 N8 O S | InChI=1S/C26H28N8OS/c1-15 (2)30-22-11-23(24-9-8-20- 10-17(12-27)13-29-34(20)2 4)28-14-21(22)26-33-32-25 (36-26)18-4-6-19(7-5-18)3 1-16(3)35/h8-11,13-15,18- 19H,4-7H2,1-3H3,(H,28,30) (H,31,35)/t18-,19-; SINWNQNTNAGUJM-WGSAOQKQSA-N |
CC(C)Nc1cc(ncc1c1nnc(s1)C1CCC(NC(C)=O)CC 1)c1ccc2cc(C#N)cnn21; CC(C)Nc1cc(ncc1c2s c(nn2)[C@@H]3CC[C@H](CC3)NC(C)=O)c4ccc5c c(cnn45)C#N; CC(C)Nc1cc(ncc1c2nnc(s2)C3C CC(CC3)NC(=O)C)c4ccc5n4ncc(c5)C#N; CC(C) Nc1cc(ncc1c2sc(nn2)[CH]3CC[CH](CC3)NC(C) =O)c4ccc5cc(cnn45)C#N |
N-[(1R,4r)-4-(5-{(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide |
| 14923 |  A1CKS |
4 | C27 H29 N9 O S | InChI=1S/C27H29N9OS/c1-15 (2)31-22-9-23(24-7-6-20-8 -17(10-28)11-30-36(20)24) 29-12-21(22)26-33-34-27(3 8-26)35-13-18-4-5-19(14-3 5)25(18)32-16(3)37/h6-9,1 1-12,15,18-19,25H,4-5,13- 14H2,1-3H3,(H,29,31)(H,32 ,37)/t18-,19+,25-; CZMZTZDQSIPONY-HBNMSFMJSA-N |
CC(C)Nc1cc(ncc1c1nnc(s1)N1CC2CCC(C1)C2NC (C)=O)c1ccc2cc(C#N)cnn21; CC(C)Nc1cc(ncc 1c2nnc(s2)N3CC4CCC(C3)C4NC(=O)C)c5ccc6n5 ncc(c6)C#N; CC(C)Nc1cc(ncc1c2nnc(s2)N3C[ C@H]4CC[C@@H](C3)C4NC(=O)C)c5ccc6n5ncc(c 6)C#N; CC(C)Nc1cc(ncc1c2sc(nn2)N3C[CH]4C C[CH](C3)[CH]4NC(C)=O)c5ccc6cc(cnn56)C#N ; CC(C)Nc1cc(ncc1c2sc(nn2)N3C[C@H]4CC[C@ @H](C3)[C@@H]4NC(C)=O)c5ccc6cc(cnn56)C#N |
N-[(1R,5S,8R)-3-(5-{(6P)-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide |
| 14924 |  A1CKU |
2 | C10 H13 N O S | InChI=1S/C10H13NOS/c1-8(6 -7-12)9-4-5-10(13-9)11(2) 3/h4-7H,1-3H3/b8-6+; OHTTZWOXIMXANB-SOFGYWHQSA-N |
C/C(=C\C=O)/c1ccc(s1)N(C)C; CN(C)c1sc(cc 1)C(/C)=C/C=O; CC(=CC=O)c1ccc(s1)N(C)C; C/C(=C\C=O)c1ccc(s1)N(C)C; CN(C)c1sc(cc1 )C(C)=CC=O |
(2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal |
| 14925 |  A1CKV |
1 | C17 H17 N O S | InChI=1S/C17H17NOS/c1-13( 9-12-19)16-7-8-17(20-16)1 4-3-5-15(6-4-14)18-10-2-1 1-18/h3-9,12H,2,10-11H2,1 H3/b13-9+; LCFKQKBRSZNNCT-UKTHLTGXSA-N |
C\C(=C/C=O)c1sc(cc1)c2ccc(cc2)N3CCC3; CC (=CC=O)c1sc(cc1)c2ccc(cc2)N3CCC3; C/C(=C \C=O)/c1ccc(s1)c2ccc(cc2)N3CCC3; C/C(=C\ C=O)c1ccc(s1)c1ccc(cc1)N1CCC1; CC(=CC=O) c1ccc(s1)c2ccc(cc2)N3CCC3 |
(2E)-3-{5-[4-(azetidin-1-yl)phenyl]thiophen-2-yl}but-2-enal |
| 14926 |  A1CKW |
1 | C15 H14 O2 S | InChI=1S/C15H14O2S/c1-11( 9-10-16)14-7-8-15(18-14)1 2-3-5-13(17-2)6-4-12/h3-1 0H,1-2H3/b11-9+; KAMTWDJTZDCGFP-PKNBQFBNSA-N |
COc1ccc(cc1)c2sc(cc2)\C(C)=C\C=O; C/C(=C \C=O)c1ccc(s1)c1ccc(OC)cc1; COc1ccc(cc1) c2sc(cc2)C(C)=CC=O; CC(=CC=O)c1ccc(s1)c2 ccc(cc2)OC; C/C(=C\C=O)/c1ccc(s1)c2ccc(c c2)OC |
(2E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]but-2-enal |
| 14927 |  A1CKX |
2 | C14 H12 O S | InChI=1S/C14H12OS/c1-11(9 -10-15)13-7-8-14(16-13)12 -5-3-2-4-6-12/h2-10H,1H3/ b11-9+; KANGHGOOGHOANR-PKNBQFBNSA-N |
CC(=CC=O)c1sc(cc1)c2ccccc2; CC(=CC=O)c1c cc(s1)c2ccccc2; C/C(=C\C=O)/c1ccc(s1)c2c cccc2; C\C(=C/C=O)c1sc(cc1)c2ccccc2; C/C (=C\C=O)c1ccc(s1)c1ccccc1 |
(2E)-3-(5-phenylthiophen-2-yl)but-2-enal |
| 14928 |  A1CKY |
1 | C16 H14 F3 N O S | InChI=1S/C16H14F3NOS/c1-2 0(2)12-5-3-11(4-6-12)14-7 -8-15(22-14)13(9-10-21)16 (17,18)19/h3-10H,1-2H3/b1 3-9+; IBZXIFQCUQYGAW-UKTHLTGXSA-N |
CN(C)c1ccc(cc1)c2sc(cc2)\C(=C/C=O)C(F)(F )F; CN(C)c1ccc(cc1)c2ccc(s2)C(=CC=O)C(F) (F)F; CN(C)c1ccc(cc1)c2ccc(s2)/C(=C\C=O) /C(F)(F)F; CN(C)c1ccc(cc1)c2sc(cc2)C(=CC =O)C(F)(F)F; FC(F)(F)C(=C\C=O)\c1ccc(s1) c1ccc(cc1)N(C)C |
(2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal |
| 14929 |  A1CKZ |
1 | C14 H15 N O S2 | InChI=1S/C14H15NOS2/c1-10 (8-9-16)11-4-5-12(17-11)1 3-6-7-14(18-13)15(2)3/h4- 9H,1-3H3/b10-8+; NQSQDLBCNOTRND-CSKARUKUSA-N |
CC(=CC=O)c1ccc(s1)c2ccc(s2)N(C)C; CN(C)c 1sc(cc1)c2sc(cc2)\C(C)=C\C=O; CN(C)c1ccc (s1)c1sc(cc1)C(\C)=C\C=O; CN(C)c1sc(cc1) c2sc(cc2)C(C)=CC=O; C/C(=C\C=O)/c1ccc(s1 )c2ccc(s2)N(C)C |
(2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal |
| 14930 |  A1CL0 |
1 | C14 H12 N2 O2 | InChI=1S/C14H12N2O2/c17-1 4(18)11-3-1-2-10(11)9-4-5 -12-13(8-9)16-7-6-15-12/h 4-8H,1-3H2,(H,17,18); RJOAZSLBMIFWSS-UHFFFAOYSA-N |
c1cc2c(cc1C3=C(CCC3)C(=O)O)nccn2; O=C(O) C=1CCCC=1c1cc2nccnc2cc1; OC(=O)C1=C(CCC1 )c2ccc3nccnc3c2 |
(2M)-2-(quinoxalin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14931 |  A1CL1 CHEMBL1569147 |
1 | C11 H11 N O3 | InChI=1S/C11H11NO3/c13-10 -5-2-6-12(10)9-4-1-3-8(7- 9)11(14)15/h1,3-4,7H,2,5- 6H2,(H,14,15); QESXXFDZRITHKE-UHFFFAOYSA-N |
O=C(O)c1cccc(c1)N1CCCC1=O; c1cc(cc(c1)N2 CCCC2=O)C(=O)O; OC(=O)c1cccc(c1)N2CCCC2= O |
3-(2-oxopyrrolidin-1-yl)benzoic acid |
| 14932 |  A1CL3 CHEMBL5805561 |
2 | C42 H45 Cl2 N5 O5 | InChI=1S/C42H45Cl2N5O5/c1 -22-16-28-20-34(42(51)52) 47(13-15-53-8)38(28)33(17 -22)48-21-25(4)49-39-31(1 1-12-32(43)36(39)35-26(5) 45-46(7)27(35)6)30(40(49) 41(48)50)10-9-14-54-29-18 -23(2)37(44)24(3)19-29/h1 1-12,16-20,25H,9-10,13-15 ,21H2,1-8H3,(H,51,52)/t25 -/m1/s1; ULTJCNHXGCJYCH-RUZDIDTESA-N |
COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(C3=O) c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(c46) c7c(C)nn(C)c7C)c12)C(O)=O; Cc1cc2cc(n(c2 c(c1)N3C[C@H](n4c5c(ccc(c5c6c(nn(c6C)C)C )Cl)c(c4C3=O)CCCOc7cc(c(c(c7)C)Cl)C)C)CC OC)C(=O)O; Cc1cc2cc(n(c2c(c1)N3CC(n4c5c( ccc(c5c6c(nn(c6C)C)C)Cl)c(c4C3=O)CCCOc7c c(c(c(c7)C)Cl)C)C)CCOC)C(=O)O; Cc1nn(C)c (C)c1c1c(Cl)ccc2c1n1C(C)CN(c3cc(C)cc4cc( C(=O)O)n(CCOC)c43)C(=O)c1c2CCCOc1cc(C)c( Cl)c(C)c1; COCCn1c(cc2cc(C)cc(N3C[CH](C) n4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc( Cl)c(c46)c7c(C)nn(C)c7C)c12)C(O)=O |
7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-(2-methoxyethyl)-5-methyl-1H-indole-2-carboxylic acid |
| 14933 |  A1CL4 |
1 | C15 H13 N O2 | InChI=1S/C15H13NO2/c17-15 (18)13-5-1-4-12(13)10-6-7 -14-11(9-10)3-2-8-16-14/h 2-3,6-9H,1,4-5H2,(H,17,18 ); JOJFUPITKQWRLH-UHFFFAOYSA-N |
c1cc2cc(ccc2nc1)C3=C(CCC3)C(=O)O; OC(=O) C1=C(CCC1)c2ccc3ncccc3c2; O=C(O)C=1CCCC= 1c1ccc2ncccc2c1 |
(2P)-2-(quinolin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14934 |  A1CL5 |
1 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c17-1 4(18)11-3-1-2-10(11)9-4-5 -12-13(8-9)16-7-6-15-12/h 4-8,10-11H,1-3H2,(H,17,18 )/t10-,11+/m0/s1; WTODIMGYQGUNGR-WDEREUQCSA-N |
O=C(O)C1CCCC1c1cc2nccnc2cc1; c1cc2c(cc1[ C@@H]3CCC[C@H]3C(=O)O)nccn2; OC(=O)[C@@H ]1CCC[C@H]1c2ccc3nccnc3c2; OC(=O)[CH]1CC C[CH]1c2ccc3nccnc3c2; c1cc2c(cc1C3CCCC3C (=O)O)nccn2 |
(1R,2R)-2-(quinoxalin-6-yl)cyclopentane-1-carboxylic acid |
| 14935 |  A1CL6 |
1 | C42 H43 Cl2 N5 O7 | InChI=1S/C42H43Cl2N5O7/c1 -22-15-25(16-23(2)36(22)4 4)56-14-7-9-26-27-10-11-3 0(43)35-29-20-46(4)45-31( 29)21-55-13-8-12-47-33(42 (51)52)17-28-37(47)32(18- 34(53-5)40(28)54-6)48-19- 24(3)49(38(27)35)39(26)41 (48)50/h10-11,15-18,20,24 H,7-9,12-14,19,21H2,1-6H3 ,(H,51,52)/t24-/m1/s1; WFGCEQBVWBMIHC-XMMPIXPASA-N |
Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c-4c3n5c2C(= O)N(C[C@H]5C)c6cc(c(c7c6n(c(c7)C(=O)O)CC COCc8c4cn(n8)C)OC)OC)Cl; COc1cc2[N]3C[CH ](C)n4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6 ccc(Cl)c(c7cn(C)nc7COCCCn8c(cc(c1OC)c28) C(O)=O)c46; COc1cc2[N@@]3C[C@@H](C)n4c(C 3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c( c7cn(C)nc7COCCCn8c(cc(c1OC)c28)C(O)=O)c4 6; Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c-4c3n5c2 C(=O)N(CC5C)c6cc(c(c7c6n(c(c7)C(=O)O)CCC OCc8c4cn(n8)C)OC)OC)Cl; Cc1cc(cc(C)c1Cl) OCCCc1c2ccc(Cl)c3c2n2c1C(=O)N(CC2C)c1cc( OC)c(OC)c2cc(n(CCCOCc4nn(C)cc34)c21)C(=O )O |
(2S,4R,5S,12P,23R)-11-chloro-7-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-27,28-dimethoxy-4,15-dimethyl-32-oxo-19-oxa-2,5,15,16,23-pentaazaheptacyclo[21.6.1.1~2,6~.1~5,8~.0~12,31~.0~13,17~.0~26,30~]dotriaconta-1(30),6,8(31),9,11,13,16,24,26,28-decaene-24-carboxylic acid (non-preferred name) |
| 14936 |  A1CL7 |
1 | C13 H14 N2 O2 S | InChI=1S/C13H14N2O2S/c14- 13-15-10-5-4-7(6-11(10)18 -13)8-2-1-3-9(8)12(16)17/ h4-6,8-9H,1-3H2,(H2,14,15 )(H,16,17)/t8-,9+/m0/s1; NSBFRMSXDVJQFI-DTWKUNHWSA-N |
Nc1sc2cc(ccc2n1)[C@@H]3CCC[C@H]3C(O)=O; c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)sc(n2)N ; Nc1sc2cc(ccc2n1)[CH]3CCC[CH]3C(O)=O; O =C(O)C1CCCC1c1ccc2nc(N)sc2c1; c1cc2c(cc1 C3CCCC3C(=O)O)sc(n2)N |
(1R,2R)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid |
| 14937 |  A1CL8 |
1 | C14 H13 N3 O3 S | InChI=1S/C14H13N3O3S/c15- 13(20)17-14-16-10-5-4-7(6 -11(10)21-14)8-2-1-3-9(8) 12(18)19/h4-6H,1-3H2,(H,1 8,19)(H3,15,16,17,20); NPDLKNFCGKDZPE-UHFFFAOYSA-N |
c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)NC(=O)N ; NC(=O)Nc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O ; O=C(O)C=1CCCC=1c1ccc2nc(NC(N)=O)sc2c1 |
(2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14938 |  A1CL9 |
1 | C15 H15 N O2 | InChI=1S/C15H15NO2/c17-15 (18)13-5-1-4-12(13)10-6-7 -14-11(9-10)3-2-8-16-14/h 2-3,6-9,12-13H,1,4-5H2,(H ,17,18)/t12-,13+/m0/s1; YAROMMGQINDDJN-QWHCGFSZSA-N |
OC(=O)[CH]1CCC[CH]1c2ccc3ncccc3c2; O=C(O )C1CCCC1c1ccc2ncccc2c1; c1cc2cc(ccc2nc1) C3CCCC3C(=O)O; OC(=O)[C@@H]1CCC[C@H]1c2c cc3ncccc3c2; c1cc2cc(ccc2nc1)[C@@H]3CCC[ C@H]3C(=O)O |
(1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid |
| 14939 |  A1CLD |
4 | C21 H24 N2 O2 | InChI=1S/C21H24N2O2/c1-15 -6-7-18-19(24)13-21(25-20 (18)16(15)2)8-11-23(12-9- 21)14-17-5-3-4-10-22-17/h 3-7,10H,8-9,11-14H2,1-2H3; ZJGZEFXFZOGTNZ-UHFFFAOYSA-N |
Cc1ccc2c(c1C)OC3(CCN(CC3)Cc4ccccn4)CC2=O ; Cc1ccc2C(=O)CC3(CCN(CC3)Cc4ccccn4)Oc2c 1C; Cc1ccc2c(OC3(CCN(CC3)Cc3ccccn3)CC2=O )c1C |
7,8-dimethyl-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| 14940 |  A1CLE |
2 | C14 H17 N O2 | InChI=1S/C14H17NO2/c1-15- 8-6-14(7-9-15)10-12(16)11 -4-2-3-5-13(11)17-14/h2-5 H,6-10H2,1H3; DCENWWFAIVPRAC-UHFFFAOYSA-N |
CN1CCC2(CC1)CC(=O)c3ccccc3O2; O=C1CC2(CC N(C)CC2)Oc2ccccc21 |
1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| 14941 |  A1CLF |
1 | C18 H19 N O2 | InChI=1S/C18H19NO2/c1-19- 10-8-18(9-11-19)12-16(20) 15-7-6-13-4-2-3-5-14(13)1 7(15)21-18/h2-7H,8-12H2,1 H3; QPIFOKSJCZZZEV-UHFFFAOYSA-N |
O=C1CC2(CCN(C)CC2)Oc2c1ccc1ccccc21; CN1C CC2(CC1)CC(=O)c3ccc4ccccc4c3O2 |
1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one |
| 14942 |  A1CLI |
1 | C28 H39 N3 O2 | InChI=1S/C28H39N3O2/c1-7- 17-30-19-22(5)31(20-21(30 )4)27(25-11-10-12-26(18-2 5)33-6)23-13-15-24(16-14- 23)28(32)29(8-2)9-3/h7,10 -16,18,21-22,27H,1,8-9,17 ,19-20H2,2-6H3/t21-,22+,2 7-/m1/s1; KQWVAUSXZDRQPZ-UMTXDNHDSA-N |
CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)OC)N3C C(N(CC3C)CC=C)C; CCN(CC)C(=O)c1ccc(cc1)C (c1cc(OC)ccc1)N1CC(C)N(CC1C)CC=C; CCN(CC )C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC= C)C[C@@H]2C)c3cccc(OC)c3; CCN(CC)C(=O)c1 ccc(cc1)[C@H](c2cccc(c2)OC)N3C[C@H](N(C[ C@@H]3C)CC=C)C; CCN(CC)C(=O)c1ccc(cc1)[C H](N2C[CH](C)N(CC=C)C[CH]2C)c3cccc(OC)c3 |
4-[(R)-[(2S,5R)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide |
| 14943 |  A1CLJ |
1 | C20 H23 N O4 | InChI=1S/C20H23NO4/c22-13 -4-3-12-9-15-20(24)6-5-14 (23)18-19(20,16(12)17(13) 25-18)7-8-21(15)10-11-1-2 -11/h3-4,11,15,18,22,24H, 1-2,5-10H2/t15-,18+,19+,2 0-/m1/s1; DQCKKXVULJGBQN-XFWGSAIBSA-N |
c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O )CC5)O)O; O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2( CCN3CC1CC1)c54; Oc1ccc2C[CH]3N(CC[C]45[C H](Oc1c24)C(=O)CC[C]35O)CC6CC6; Oc1ccc2C [C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C @@]35O)CC6CC6; c1cc(c2c3c1C[C@@H]4[C@]5( [C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O |
17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6-one |
| 14944 |  A1CLL |
1 | C31 H39 N5 O | InChI=1S/C31H39N5O/c1-23- 20-26(9-13-32-23)29-7-4-2 5-8-10-31(37-30(25)24(29) 2)11-14-35(15-12-31)22-27 -5-6-28(21-33-27)36-18-16 -34(3)17-19-36/h4-7,9,13, 20-21H,8,10-12,14-19,22H2 ,1-3H3; ZTGXWRPQUDBLTI-UHFFFAOYSA-N |
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)C c5ccc(cn5)N6CCN(CC6)C; CN1CCN(CC1)c2ccc( CN3CCC4(CC3)CCc5ccc(c(C)c5O4)c6ccnc(C)c6 )nc2; CN1CCN(CC1)c1ccc(nc1)CN1CCC2(CC1)C Cc1ccc(c3ccnc(C)c3)c(C)c1O2 |
(7M)-8-methyl-1'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine] |
| 14945 |  A1CLN |
1 | C26 H27 N3 O2 | InChI=1S/C26H27N3O2/c1-18 -15-20(8-12-27-18)22-6-7- 23-24(30)16-26(31-25(23)1 9(22)2)9-13-29(14-10-26)1 7-21-5-3-4-11-28-21/h3-8, 11-12,15H,9-10,13-14,16-1 7H2,1-2H3; FLGATGWICYMNLV-UHFFFAOYSA-N |
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5cc ccn5)CC3=O; Cc1cc(ccn1)c2ccc3C(=O)CC4(CC N(CC4)Cc5ccccn5)Oc3c2C; Cc1nccc(c1)c1ccc 2c(OC3(CCN(CC3)Cc3ccccn3)CC2=O)c1C |
(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one |
| 14946 |  A1CLO |
1 | C29 H31 N5 O | InChI=1S/C29H31N5O/c1-20- 18-23(9-14-30-20)25-7-6-2 2-8-11-29(35-28(22)21(25) 2)12-16-34(17-13-29)19-24 -4-3-5-26(32-24)27-10-15- 31-33-27/h3-7,9-10,14-15, 18H,8,11-13,16-17,19H2,1- 2H3,(H,31,33); JXRJHYKIUAGFBT-UHFFFAOYSA-N |
Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)C c5cccc(n5)c6ccn[nH]6; Cc1nccc(c1)c1ccc2C CC3(CCN(CC3)Cc3cccc(n3)c3ccn[NH]3)Oc2c1C ; Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4)Cc5cccc( n5)c6[nH]ncc6)Oc3c2C |
(7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-{[(6P)-6-(1H-pyrazol-5-yl)pyridin-2-yl]methyl}-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine] |
| 14947 |  A1CLP |
1 | C31 H39 N5 O | InChI=1S/C31H39N5O/c1-23- 21-26(10-14-32-23)28-8-7- 25-9-11-31(37-30(25)24(28 )2)12-15-35(16-13-31)22-2 7-5-4-6-29(33-27)36-19-17 -34(3)18-20-36/h4-8,10,14 ,21H,9,11-13,15-20,22H2,1 -3H3; WVJWVSWBFWSOIU-UHFFFAOYSA-N |
CN1CCN(CC1)c2cccc(CN3CCC4(CC3)CCc5ccc(c( C)c5O4)c6ccnc(C)c6)n2; Cc1cc(ccn1)c2ccc3 c(c2C)OC4(CC3)CCN(CC4)Cc5cccc(n5)N6CCN(C C6)C; CN1CCN(CC1)c1cccc(n1)CN1CCC2(CC1)C Cc1ccc(c3ccnc(C)c3)c(C)c1O2 |
(7M)-8-methyl-1'-{[6-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine] |
| 14948 |  A1CLR |
2 | C13 H14 N2 O2 | InChI=1S/C13H14N2O2/c16-1 3(17)10-5-1-3-8(10)9-4-2- 6-12-11(9)7-14-15-12/h2,4 ,6-8,10H,1,3,5H2,(H,14,15 )(H,16,17)/t8-,10-/m1/s1; AMQYBXLXVKKGJJ-PSASIEDQSA-N |
OC(=O)[C@@H]1CCC[C@@H]1c2cccc3[nH]ncc23; c1cc(c2cn[nH]c2c1)C3CCCC3C(=O)O; c1cc(c 2cn[nH]c2c1)[C@H]3CCC[C@H]3C(=O)O; OC(=O )[CH]1CCC[CH]1c2cccc3[nH]ncc23; O=C(O)C1 CCCC1c1cccc2[NH]ncc12 |
(1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid |
| 14949 |  A1CLS |
1 | C15 H15 N O2 | InChI=1S/C15H15NO2/c17-15 (18)14-3-1-2-13(14)11-4-5 -12-9-16-7-6-10(12)8-11/h 4-9,13-14H,1-3H2,(H,17,18 )/t13-,14-/m1/s1; XQTQKFJDRRKDSY-ZIAGYGMSSA-N |
c1cc2cnccc2cc1C3CCCC3C(=O)O; OC(=O)[CH]1 CCC[CH]1c2ccc3cnccc3c2; c1cc2cnccc2cc1[C @H]3CCC[C@H]3C(=O)O; OC(=O)[C@@H]1CCC[C@ @H]1c2ccc3cnccc3c2; O=C(O)C1CCCC1c1ccc2c nccc2c1 |
(1R,2S)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid |
| 14950 |  A1CLT |
1 | C14 H16 N2 O2 | InChI=1S/C14H16N2O2/c1-16 -8-15-12-6-5-9(7-13(12)16 )10-3-2-4-11(10)14(17)18/ h5-8,10-11H,2-4H2,1H3,(H, 17,18)/t10-,11-/m1/s1; JKQNZNKKFBLZGL-GHMZBOCLSA-N |
O=C(O)C1CCCC1c1ccc2ncn(C)c2c1; Cn1cnc2cc c(cc12)[CH]3CCC[CH]3C(O)=O; Cn1cnc2ccc(c c12)[C@H]3CCC[C@H]3C(O)=O; Cn1cnc2c1cc(c c2)C3CCCC3C(=O)O; Cn1cnc2c1cc(cc2)[C@H]3 CCC[C@H]3C(=O)O |
(1R,2S)-2-(1-methyl-1H-1,3-benzimidazol-6-yl)cyclopentane-1-carboxylic acid |
| 14951 |  A1CLU |
1 | C13 H13 N O3 | InChI=1S/C13H13NO3/c15-13 (16)10-3-1-2-9(10)8-4-5-1 2-11(6-8)14-7-17-12/h4-7, 9-10H,1-3H2,(H,15,16)/t9- ,10-/m1/s1; CEOXRGWJSDSYHN-NXEZZACHSA-N |
c1cc2c(cc1[C@H]3CCC[C@H]3C(=O)O)nco2; OC (=O)[CH]1CCC[CH]1c2ccc3ocnc3c2; OC(=O)[C @@H]1CCC[C@@H]1c2ccc3ocnc3c2; c1cc2c(cc1 C3CCCC3C(=O)O)nco2; O=C(O)C1CCCC1c1cc2nc oc2cc1 |
(1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid |
| 14952 |  A1CLV |
2 | C15 H15 N O2 | InChI=1S/C15H15NO2/c17-15 (18)14-3-1-2-13(14)11-4-5 -12-9-16-7-6-10(12)8-11/h 4-9,13-14H,1-3H2,(H,17,18 )/t13-,14+/m0/s1; XQTQKFJDRRKDSY-UONOGXRCSA-N |
c1cc2cnccc2cc1C3CCCC3C(=O)O; OC(=O)[CH]1 CCC[CH]1c2ccc3cnccc3c2; OC(=O)[C@@H]1CCC [C@H]1c2ccc3cnccc3c2; c1cc2cnccc2cc1[C@@ H]3CCC[C@H]3C(=O)O; O=C(O)C1CCCC1c1ccc2c nccc2c1 |
(1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid |
| 14953 |  A1CLW |
2 | C13 H13 N O2 S | InChI=1S/C13H13NO2S/c15-1 3(16)10-3-1-2-9(10)8-4-5- 11-12(6-8)17-7-14-11/h4-7 ,9-10H,1-3H2,(H,15,16)/t9 -,10+/m0/s1; UQINUOHQWWOSCD-VHSXEESVSA-N |
c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)scn2; O C(=O)[C@@H]1CCC[C@H]1c2ccc3ncsc3c2; O=C( O)C1CCCC1c1ccc2ncsc2c1; c1cc2c(cc1C3CCCC 3C(=O)O)scn2; OC(=O)[CH]1CCC[CH]1c2ccc3n csc3c2 |
(1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid |
| 14954 |  A1CLX |
2 | C13 H11 N O2 S | InChI=1S/C13H11NO2S/c15-1 3(16)10-3-1-2-9(10)8-4-5- 11-12(6-8)17-7-14-11/h4-7 H,1-3H2,(H,15,16); NQZZAIZKLNOIOU-UHFFFAOYSA-N |
c1cc2c(cc1C3=C(CCC3)C(=O)O)scn2; O=C(O)C =1CCCC=1c1ccc2ncsc2c1; OC(=O)C1=C(CCC1)c 2ccc3ncsc3c2 |
(2P)-2-(1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14955 |  A1CLY CHEMBL1531343 |
2 | C11 H8 F N O S | InChI=1S/C11H8FNOS/c12-8- 3-5-9(6-4-8)13-11(14)10-2 -1-7-15-10/h1-7H,(H,13,14 ); GCPZKOCHNSMRNY-UHFFFAOYSA-N |
O=C(Nc1ccc(F)cc1)c1cccs1; c1cc(sc1)C(=O) Nc2ccc(cc2)F; Fc1ccc(NC(=O)c2sccc2)cc1 |
N-(4-fluorophenyl)thiophene-2-carboxamide |
| 14956 |  A1CLZ |
1 | C15 H13 N O2 | InChI=1S/C15H13NO2/c17-15 (18)14-3-1-2-13(14)11-4-5 -12-9-16-7-6-10(12)8-11/h 4-9H,1-3H2,(H,17,18); IYHZUWINIFYHSN-UHFFFAOYSA-N |
O=C(O)C=1CCCC=1c1ccc2cnccc2c1; OC(=O)C1= C(CCC1)c2ccc3cnccc3c2; c1cc2cnccc2cc1C3= C(CCC3)C(=O)O |
(2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14957 |  A1CM0 |
1 | C24 H22 F3 N7 O2 | InChI=1S/C24H22F3N7O2/c1- 32-21-17-10-14(5-8-19(17) 31-22(28)18(21)12-30-32)2 3(36)34(33-9-3-2-4-20(33) 35)13-16-7-6-15(11-29-16) 24(25,26)27/h5-8,10-12H,2 -4,9,13H2,1H3,(H2,28,31); IKOBOQYTKCBCMM-UHFFFAOYSA-N |
Cn1ncc2c1c1cc(ccc1nc2N)C(=O)N(Cc1ccc(cn1 )C(F)(F)F)N1CCCCC1=O; Cn1ncc2c(N)nc3ccc( cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCC C5=O; Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc 4ccc(cn4)C(F)(F)F)N5CCCCC5=O |
4-amino-1-methyl-N-(2-oxopiperidin-1-yl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide |
| 14958 |  A1CM4 |
1 | C13 H14 Br N5 O | InChI=1S/C13H14BrN5O/c14- 8-3-1-2-4-9(8)19-13-10-7( 11(15)20)5-16-12(10)17-6- 18-13/h3,5-6,9H,1-2,4H2,( H2,15,20)(H2,16,17,18,19) /t9-/m1/s1; OITFOMNCKMCNBF-SECBINFHSA-N |
c1c(c2c([nH]1)ncnc2NC3CCCC=C3Br)C(=O)N; NC(=O)c1c[nH]c2ncnc(N[C@@H]3CCCC=C3Br)c1 2; NC(=O)c1c[nH]c2ncnc(N[CH]3CCCC=C3Br)c 12; c1c(c2c([nH]1)ncnc2N[C@@H]3CCCC=C3Br )C(=O)N; BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C (N)=O |
4-{[(1R)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| 14959 |  A1CM5 |
2 | C31 H42 F2 N2 O8 S | InChI=1S/C31H42F2N2O8S/c1 -4-20(5-2)16-35(44(39,40) 25-8-6-22(7-9-25)19(3)36) 17-28(37)27(14-21-12-23(3 2)15-24(33)13-21)34-31(38 )43-29-18-42-30-26(29)10- 11-41-30/h6-9,12-13,15,19 -20,26-30,36-37H,4-5,10-1 1,14,16-18H2,1-3H3,(H,34, 38)/t19-,26+,27+,28-,29+, 30-/m1/s1; QSTWKEAHGIUFAI-KKWHVFEBSA-N |
CCC(CC)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2 COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; C CC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC (=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4 ccc(cc4)[CH](C)O; CC(O)c1ccc(cc1)S(=O)(= O)N(CC(CC)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(= O)OC1COC2OCCC12; CCC(CC)CN(C[C@H]([C@H]( Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C @H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O ; CCC(CC)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F )c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S] (=O)(=O)c4ccc(cc4)[C@@H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate |
| 14960 |  A1CM6 |
2 | C31 H42 F2 N2 O8 S | InChI=1S/C31H42F2N2O8S/c1 -4-20(5-2)16-35(44(39,40) 25-8-6-22(7-9-25)19(3)36) 17-28(37)27(14-21-12-23(3 2)15-24(33)13-21)34-31(38 )43-29-18-42-30-26(29)10- 11-41-30/h6-9,12-13,15,19 -20,26-30,36-37H,4-5,10-1 1,14,16-18H2,1-3H3,(H,34, 38)/t19-,26-,27-,28+,29-, 30+/m0/s1; QSTWKEAHGIUFAI-CYJVAZRPSA-N |
CCC(CC)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2 COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; C CC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC (=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4 ccc(cc4)[CH](C)O; CCC(CC)CN(C[C@@H](O)[C @H](Cc1cc(F)cc(F)c1)NC(=O)O[C@H]2CO[C@H] 3OCC[C@@H]23)[S](=O)(=O)c4ccc(cc4)[C@H]( C)O; CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC) CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC 12; CCC(CC)CN(C[C@H]([C@H](Cc1cc(cc(c1)F )F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S( =O)(=O)c4ccc(cc4)[C@H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate |
| 14961 |  A1CM7 |
3 | C36 H43 Cl N10 O4 | InChI=1S/C36H43ClN10O4/c1 -36(2,51)14-17-47-29-18-2 1(6-10-27(29)44(4)35(47)5 0)39-32-26(37)20-38-34(41 -32)43(3)22-12-15-46(16-1 3-22)23-7-8-24-28(19-23)4 5(5)42-31(24)25-9-11-30(4 8)40-33(25)49/h6-8,10,18- 20,22,25,51H,9,11-17H2,1- 5H3,(H,38,39,41)(H,40,48, 49)/t25-/m1/s1; UAPMBWAZZWBDFF-RUZDIDTESA-N |
CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3) N(C)C4CCN(CC4)c5ccc6c(c5)n(nc6[C@H]7CCC( =O)NC7=O)C)Cl)O; Cn1nc([C@H]2CCC(=O)NC2= O)c3ccc(cc13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc 6ccc7N(C)C(=O)N(CCC(C)(C)O)c7c6)n5; CC(C )(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)N(C) C4CCN(CC4)c5ccc6c(c5)n(nc6C7CCC(=O)NC7=O )C)Cl)O; Cn1nc([CH]2CCC(=O)NC2=O)c3ccc(c c13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc6ccc7N(C) C(=O)N(CCC(C)(C)O)c7c6)n5; CC(C)(O)CCN1C (=O)N(C)c2ccc(cc21)Nc1nc(ncc1Cl)N(C)C1CC N(CC1)c1ccc2c(c1)n(C)nc2C1CCC(=O)NC1=O |
(3R)-3-(6-{4-[(5-chloro-4-{[3-(3-hydroxy-3-methylbutyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]amino}pyrimidin-2-yl)(methyl)amino]piperidin-1-yl}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione |
| 14962 |  A1CMA |
1 | C15 H15 N O2 | InChI=1S/C15H15NO2/c17-15 (18)13-5-1-4-12(13)11-7-6 -10-3-2-8-16-14(10)9-11/h 2-3,6-9,12-13H,1,4-5H2,(H ,17,18)/t12-,13+/m0/s1; QWGWVEZPQYOWFO-QWHCGFSZSA-N |
O=C(O)C1CCCC1c1cc2ncccc2cc1; c1cc2ccc(cc 2nc1)C3CCCC3C(=O)O; OC(=O)[C@@H]1CCC[C@H ]1c2ccc3cccnc3c2; OC(=O)[CH]1CCC[CH]1c2c cc3cccnc3c2; c1cc2ccc(cc2nc1)[C@@H]3CCC[ C@H]3C(=O)O |
(1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid |
| 14963 |  A1CMB |
1 | C13 H12 N2 O2 S | InChI=1S/C13H12N2O2S/c14- 13-15-10-5-4-7(6-11(10)18 -13)8-2-1-3-9(8)12(16)17/ h4-6H,1-3H2,(H2,14,15)(H, 16,17); IPMICPPBBYOIDS-UHFFFAOYSA-N |
c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)N; O=C( O)C=1CCCC=1c1ccc2nc(N)sc2c1; Nc1sc2cc(cc c2n1)C3=C(CCC3)C(O)=O |
(2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid |
| 14964 |  A1CMC |
1 | C14 H14 N2 O2 S | InChI=1S/C14H14N2O2S/c1-1 5-14-16-11-6-5-8(7-12(11) 19-14)9-3-2-4-10(9)13(17) 18/h5-7H,2-4H2,1H3,(H,15, 16)(H,17,18); IZNNHGCHYVDFHH-UHFFFAOYSA-N |
CNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O; O=C(O )C=1CCCC=1c1ccc2nc(NC)sc2c1; CNc1nc2ccc( cc2s1)C3=C(CCC3)C(=O)O |
(2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid |
| 14965 |  A1CMD |
1 | C15 H16 N2 O2 S | InChI=1S/C15H16N2O2S/c1-2 -16-15-17-12-7-6-9(8-13(1 2)20-15)10-4-3-5-11(10)14 (18)19/h6-8H,2-5H2,1H3,(H ,16,17)(H,18,19); AHTJPSMHHPKLRG-UHFFFAOYSA-N |
O=C(O)C=1CCCC=1c1ccc2nc(NCC)sc2c1; CCNc1 sc2cc(ccc2n1)C3=C(CCC3)C(O)=O; CCNc1nc2c cc(cc2s1)C3=C(CCC3)C(=O)O |
(2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid |
| 14966 |  A1CME |
1 | C15 H13 N O2 | InChI=1S/C15H13NO2/c17-15 (18)13-5-1-4-12(13)11-7-6 -10-3-2-8-16-14(10)9-11/h 2-3,6-9H,1,4-5H2,(H,17,18 ); LOJVUQQULCMFRR-UHFFFAOYSA-N |
OC(=O)C1=C(CCC1)c2ccc3cccnc3c2; c1cc2ccc (cc2nc1)C3=C(CCC3)C(=O)O; O=C(O)C=1CCCC= 1c1cc2ncccc2cc1 |
(2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid |
| 14967 |  A1CMG CHEMBL5307201 |
1 | C40 H43 Cl F N5 O5 S | InChI=1S/C40H43ClFN5O5S/c 1-24-36-33-11-10-32(41)38 (36)37-25(2)43-47(13-15-5 1-17-16-50-4)34(37)23-53- 22-29-21-30(45(3)44-29)8- 6-26-18-27-20-28(42)7-9-3 1(27)35(19-26)52-14-5-12- 46(33)39(24)40(48)49/h7,9 -11,18-21H,5-6,8,12-17,22 -23H2,1-4H3,(H,48,49); LUVOYGUFQRWXGQ-UHFFFAOYSA-N |
Cc1c2c3ccc(c2-c4c(nn(c4CSCc5cc(n(n5)C)CC c6cc7cc(ccc7c(c6)OCCCn3c1C(=O)O)F)CCOCCO C)C)Cl; COCCOCCn1nc(C)c2c1CSCc3cc(CCc4cc (OCCCn5c6ccc(Cl)c2c6c(C)c5C(O)=O)c7ccc(F )cc7c4)n(C)n3; O=C(O)c1c(C)c2c3c4c(CSCc5 nn(C)c(CCc6cc7cc(F)ccc7c(OCCCn1c2ccc3Cl) c6)c5)n(CCOCCOC)nc4C |
17-chloranyl-33-fluoranyl-12-[2-(2-methoxyethoxy)ethyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11(15),13,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid |
| 14968 |  A1CMH |
1 | C36 H35 Cl F N5 O3 S | InChI=1S/C36H35ClFN5O3S/c 1-20-32-30-11-10-28(37)34 (32)33-21(2)41(3)40-29(33 )19-47-18-25-17-26(42(4)3 9-25)8-6-22-14-23-16-24(3 8)7-9-27(23)31(15-22)46-1 3-5-12-43(30)35(20)36(44) 45/h7,9-11,14-17H,5-6,8,1 2-13,18-19H2,1-4H3,(H,44, 45); UFDPXRGNCBNUQX-UHFFFAOYSA-N |
O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2c c(F)ccc21)CCc1cc(CSCc2nn(C)c(C)c32)nn1C; Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)C Cc6cc7cc(ccc7c(c6)OCCCn3c1C(=O)O)F)C)C)C l; Cn1nc2CSCc3cc(CCc4cc(OCCCn5c6ccc(Cl)c (c2c1C)c6c(C)c5C(O)=O)c7ccc(F)cc7c4)n(C) n3 |
17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid |
| 14969 |  A1CMI CHEMBL5754920 |
1 | C35 H34 Cl N5 O3 S2 | InChI=1S/C35H34ClN5O3S2/c 1-20-31-29-11-10-27(36)33 (31)32-21(2)39(3)38-28(32 )19-45-17-23-15-24(40(4)3 7-23)18-46-25-14-22-8-5-6 -9-26(22)30(16-25)44-13-7 -12-41(29)34(20)35(42)43/ h5-6,8-11,14-16H,7,12-13, 17-19H2,1-4H3,(H,42,43); CMYNVLPHUUEESY-UHFFFAOYSA-N |
Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)CS c6cc7ccccc7c(c6)OCCCn3c1C(=O)O)C)C)Cl; C n1nc2CSCc3cc(CSc4cc(OCCCn5c6ccc(Cl)c(c2c 1C)c6c(C)c5C(O)=O)c7ccccc7c4)n(C)n3; O=C (O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2cccc c21)SCc1cc(CSCc2nn(C)c(C)c32)nn1C |
17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid |
| 14970 |  A1CMV CHEMBL841 DB00836 |
3 | C29 H33 Cl N2 O2 | InChI=1S/C29H33ClN2O2/c1- 31(2)27(33)29(24-9-5-3-6- 10-24,25-11-7-4-8-12-25)1 9-22-32-20-17-28(34,18-21 -32)23-13-15-26(30)16-14- 23/h3-16,34H,17-22H2,1-2H 3; RDOIQAHITMMDAJ-UHFFFAOYSA-N |
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1) (c1ccccc1)c1ccccc1; CN(C)C(=O)C(CCN1CCC( O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4; CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O) (c3ccccc3)c4ccccc4 |
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide |
| 14971 |  A1CMW |
1 | C25 H21 F3 N8 O | InChI=1S/C25H21F3N8O/c1-1 4(23-30-8-3-9-31-23)36(13 -17-6-5-16(11-32-17)25(26 ,27)28)24(37)15-4-7-20-18 (10-15)21-19(22(29)34-20) 12-33-35(21)2/h3-12,14H,1 3H2,1-2H3,(H2,29,34)/t14- /m1/s1; WIUIEGOKAZIGQY-CQSZACIVSA-N |
C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c2ccc 3nc(N)c4cnn(C)c4c3c2)c5ncccn5; CC(c1nccc n1)N(Cc2ccc(cn2)C(F)(F)F)C(=O)c3ccc4c(c3 )c5c(cnn5C)c(n4)N; C[C@H](c1ncccn1)N(Cc2 ccc(cn2)C(F)(F)F)C(=O)c3ccc4c(c3)c5c(cnn 5C)c(n4)N; FC(F)(F)c1ccc(nc1)CN(C(C)c1nc ccn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1; C[C H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c2ccc3nc(N )c4cnn(C)c4c3c2)c5ncccn5 |
4-amino-1-methyl-N-[(1R)-1-(pyrimidin-2-yl)ethyl]-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide |
| 14972 |  A1CMX CHEMBL1730462 |
2 | C13 H13 N O4 | InChI=1S/C13H13NO4/c1-13( 2,3)14-10(15)8-5-4-7(12(1 7)18)6-9(8)11(14)16/h4-6H ,1-3H3,(H,17,18); XBMWXWYNYYVTMK-UHFFFAOYSA-N |
O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C(C)(C)C; C C(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)O; CC(C )(C)N1C(=O)c2ccc(cc2C1=O)C(O)=O |
2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid |
| 14973 |  A1CMY |
1 | C8 H10 Cl2 N2 O | InChI=1S/C8H10Cl2N2O/c1-8 (2,3)12-7(13)6(10)5(9)4-1 1-12/h4H,1-3H3; ANFVZRTXGLHTNI-UHFFFAOYSA-N |
CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl; CC(C)(C) N1N=CC(=C(Cl)C1=O)Cl; ClC=1C=NN(C(=O)C=1 Cl)C(C)(C)C |
2-tert-butyl-4,5-dichloropyridazin-3(2H)-one |
| 14974 |  A1CMZ |
1 | C24 H22 F3 N7 O2 | InChI=1S/C24H22F3N7O2/c1- 32-20-17-9-14(5-8-19(17)3 1-21(28)18(20)11-30-32)23 (36)34(33(2)22(35)13-3-4- 13)12-16-7-6-15(10-29-16) 24(25,26)27/h5-11,13H,3-4 ,12H2,1-2H3,(H2,28,31); IRMKUPMMVSHMDO-UHFFFAOYSA-N |
Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(c n4)C(F)(F)F)N(C)C(=O)C5CC5; Cn1ncc2c(N)n c3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F) N(C)C(=O)C5CC5; FC(F)(F)c1ccc(nc1)CN(N(C )C(=O)C1CC1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2 c1 |
4-amino-N'-(cyclopropanecarbonyl)-N',1-dimethyl-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carbohydrazide |
| 14975 |  A1CN1 |
2 | C40 H54 Br N7 O4 | InChI=1S/C40H54BrN7O4/c1- 28-24-30(41)15-18-33(28)3 8(39(42)51)47-22-23-48-32 (25-44-35(48)27-47)26-45- 36(49)12-10-8-6-4-2-3-5-7 -9-11-21-43-31-16-13-29(1 4-17-31)34-19-20-37(50)46 -40(34)52/h13-18,24-25,34 ,38,43H,2-12,19-23,26-27H 2,1H3,(H2,42,51)(H,45,49) (H,46,50,52)/t34-,38+/m1/ s1; YNCAMPIZKSNQNP-BYYXFNHRSA-N |
Cc1cc(ccc1C(C(=O)N)N2CCn3c(cnc3C2)CNC(=O )CCCCCCCCCCCCNc4ccc(cc4)C5CCC(=O)NC5=O)B r; Cc1cc(ccc1[C@@H](C(=O)N)N2CCn3c(cnc3C 2)CNC(=O)CCCCCCCCCCCCNc4ccc(cc4)[C@H]5CC C(=O)NC5=O)Br; Cc1cc(Br)ccc1[CH](N2CCn3c (CNC(=O)CCCCCCCCCCCCNc4ccc(cc4)[CH]5CCC( =O)NC5=O)cnc3C2)C(N)=O; Cc1cc(Br)ccc1[C@ H](N2CCn3c(CNC(=O)CCCCCCCCCCCCNc4ccc(cc4 )[C@H]5CCC(=O)NC5=O)cnc3C2)C(N)=O; O=C1N C(=O)CCC1c1ccc(cc1)NCCCCCCCCCCCCC(=O)NCc 1cnc2CN(CCn12)C(c1ccc(Br)cc1C)C(N)=O |
N-({(4R)-7-[(1S)-2-amino-1-(4-bromo-2-methylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl}methyl)-13-{4-[(3R)-2,6-dioxopiperidin-3-yl]anilino}tridecanamide |
| 14976 |  A1CN2 |
9 | C17 H21 F2 N3 O | InChI=1S/C17H21F2N3O/c1-1 1-6-13(21-16(20)7-11)10-2 3-15-9-12(4-5-22(2)3)8-14 (18)17(15)19/h6-9H,4-5,10 H2,1-3H3,(H2,20,21); QWNQCAZGJZKYRU-UHFFFAOYSA-N |
Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN(C)C; C c1cc(COc2cc(CCN(C)C)cc(F)c2F)nc(N)c1; CN (C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1 |
6-({5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine |
| 14977 |  A1CN3 |
9 | C16 H19 F2 N3 O | InChI=1S/C16H19F2N3O/c1-1 0-5-12(21-15(19)6-10)9-22 -14-8-11(3-4-20-2)7-13(17 )16(14)18/h5-8,20H,3-4,9H 2,1-2H3,(H2,19,21); ZZDNZFBZKZFPJU-UHFFFAOYSA-N |
CNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1; Cc 1cc(nc(c1)N)COc2cc(cc(c2F)F)CCNC; Cc1cc( COc2cc(CCNC)cc(F)c2F)nc(N)c1 |
6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine |
| 14978 |  A1CN4 |
9 | C18 H23 F2 N3 O | InChI=1S/C18H23F2N3O/c1-4 -23(3)6-5-13-9-15(19)18(2 0)16(10-13)24-11-14-7-12( 2)8-17(21)22-14/h7-10H,4- 6,11H2,1-3H3,(H2,21,22); KKUQEGIUSYLMKC-UHFFFAOYSA-N |
Cc1cc(COc2cc(CCN(C)CC)cc(F)c2F)nc(N)c1; CCN(C)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2)N)C ; CCN(C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2) c1 |
6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine |
| 14979 |  A1CN5 |
9 | C18 H21 F2 N3 O | InChI=1S/C18H21F2N3O/c1-1 2-7-14(22-17(21)8-12)11-2 4-16-10-13(9-15(19)18(16) 20)3-6-23-4-2-5-23/h7-10H ,2-6,11H2,1H3,(H2,21,22); KHLLKNKFIJEKJT-UHFFFAOYSA-N |
Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCC3; Cc1cc(nc(N)c1)COc1cc(CCN2CCC2)cc(F)c1F; Cc1cc(N)nc(COc2cc(CCN3CCC3)cc(F)c2F)c1 |
6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine |
| 14980 |  A1CN6 |
9 | C20 H25 F2 N3 O | InChI=1S/C20H25F2N3O/c1-1 4-9-16(24-19(23)10-14)13- 26-18-12-15(11-17(21)20(1 8)22)5-8-25-6-3-2-4-7-25/ h9-12H,2-8,13H2,1H3,(H2,2 3,24); GOHKMAPFFMZNEQ-UHFFFAOYSA-N |
Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCCCC3 ; Cc1cc(nc(N)c1)COc1cc(CCN2CCCCC2)cc(F)c 1F; Cc1cc(N)nc(COc2cc(CCN3CCCCC3)cc(F)c2 F)c1 |
6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine |
| 14981 |  A1CN7 |
9 | C18 H20 F3 N3 O | InChI=1S/C18H20F3N3O/c1-1 1-4-14(23-17(22)5-11)10-2 5-16-7-12(6-15(20)18(16)2 1)2-3-24-8-13(19)9-24/h4- 7,13H,2-3,8-10H2,1H3,(H2, 22,23); SXEQIJRFMBCYEG-UHFFFAOYSA-N |
Cc1cc(N)nc(COc2cc(CCN3CC(F)C3)cc(F)c2F)c 1; Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CC( C3)F; Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)c c(F)c1F |
6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine |
| 14982 |  A1CN8 |
8 | C20 H24 F3 N3 O | InChI=1S/C20H24F3N3O/c1-1 3-8-16(25-19(24)9-13)12-2 7-18-11-14(10-17(22)20(18 )23)2-5-26-6-3-15(21)4-7- 26/h8-11,15H,2-7,12H2,1H3 ,(H2,24,25); GHGQQKFMHOQYBB-UHFFFAOYSA-N |
Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)CC2)cc(F) c1F; Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3C CC(CC3)F; Cc1cc(N)nc(COc2cc(CCN3CCC(F)CC 3)cc(F)c2F)c1 |
6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine |
| 14983 |  A1CN9 |
9 | C20 H23 F4 N3 O | InChI=1S/C20H23F4N3O/c1-1 3-8-15(26-18(25)9-13)12-2 8-17-11-14(10-16(21)19(17 )22)2-5-27-6-3-20(23,24)4 -7-27/h8-11H,2-7,12H2,1H3 ,(H2,25,26); SCIIYAFRXFMLOP-UHFFFAOYSA-N |
Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)(F)CC2)cc (F)c1F; Cc1cc(N)nc(COc2cc(CCN3CCC(F)(F)C C3)cc(F)c2F)c1; Cc1cc(nc(c1)N)COc2cc(cc( c2F)F)CCN3CCC(CC3)(F)F |
6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine |
| 14984 |  A1CNG CHEMBL4743220 |
1 | C16 H11 Br F N3 O2 | InChI=1S/C16H11BrFN3O2/c1 7-10-2-1-3-11(15(10)18)21 -16-9-6-13-14(23-5-4-22-1 3)7-12(9)19-8-20-16/h1-3, 6-8H,4-5H2,(H,19,20,21); MTLUFWWVOINWEL-UHFFFAOYSA-N |
Fc1c(Br)cccc1Nc2ncnc3cc4OCCOc4cc23; c1cc (c(c(c1)Br)F)Nc2c3cc4c(cc3ncn2)OCCO4; Br c1cccc(Nc2ncnc3cc4OCCOc4cc32)c1F |
N-(3-bromo-2-fluorophenyl)-7,8-dihydro[1,4]dioxino[2,3-g]quinazolin-4-amine |
| 14985 |  A1CNI |
2 | C30 H38 F2 N2 O8 S | InChI=1S/C30H38F2N2O8S/c1 -17(2)14-34(43(38,39)22-4 -5-23-19(12-22)3-6-26(23) 35)15-27(36)25(11-18-9-20 (31)13-21(32)10-18)33-30( 37)42-28-16-41-29-24(28)7 -8-40-29/h4-5,9-10,12-13, 17,24-29,35-36H,3,6-8,11, 14-16H2,1-2H3,(H,33,37)/t 24-,25-,26-,27+,28-,29+/m 0/s1; ONIZIZRIOJVEAP-KTVIODHASA-N |
CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC( =O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4c cc5[CH](O)CCc5c4; OC1CCc2cc(ccc21)S(=O)( =O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O )OC1COC2OCCC12; CC(C)CN(CC(C(Cc1cc(cc(c1 )F)F)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4cc c5c(c4)CCC5O; CC(C)CN(C[C@H]([C@H](Cc1cc (cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C CO3)O)S(=O)(=O)c4ccc5c(c4)CC[C@@H]5O; CC (C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC (=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(= O)c4ccc5[C@@H](O)CCc5c4 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
| 14986 |  A1CNJ |
2 | C30 H38 F2 N2 O8 S | InChI=1S/C30H38F2N2O8S/c1 -17(2)14-34(43(38,39)22-4 -5-23-19(12-22)3-6-26(23) 35)15-27(36)25(11-18-9-20 (31)13-21(32)10-18)33-30( 37)42-28-16-41-29-24(28)7 -8-40-29/h4-5,9-10,12-13, 17,24-29,35-36H,3,6-8,11, 14-16H2,1-2H3,(H,33,37)/t 24-,25-,26+,27+,28-,29+/m 0/s1; ONIZIZRIOJVEAP-OUDUKYORSA-N |
CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC( =O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O )c4ccc5c(c4)CC[C@H]5O; CC(C)CN(C[CH](O)[ CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO[CH]3O CC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4; CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1 )NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O )(=O)c4ccc5[C@H](O)CCc5c4; OC1CCc2cc(ccc 21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F )c1)NC(=O)OC1COC2OCCC12; CC(C)CN(CC(C(Cc 1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S(=O )(=O)c4ccc5c(c4)CCC5O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
| 14987 |  A1CNK |
2 | C29 H38 F2 N2 O8 S | InChI=1S/C29H38F2N2O8S/c1 -17(2)14-33(42(37,38)23-6 -4-20(5-7-23)18(3)34)15-2 6(35)25(12-19-10-21(30)13 -22(31)11-19)32-29(36)41- 27-16-40-28-24(27)8-9-39- 28/h4-7,10-11,13,17-18,24 -28,34-35H,8-9,12,14-16H2 ,1-3H3,(H,32,36)/t18-,24+ ,25+,26-,27+,28-/m1/s1; YGCDTSFGKDOJLN-BBUOLNBTSA-N |
CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC( =O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4c cc(cc4)[CH](C)O; C[C@H](c1ccc(cc1)S(=O)( =O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O) O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O; C C(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC 3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC(C )CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(= O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O) c4ccc(cc4)[C@@H](C)O; CC(O)c1ccc(cc1)S(= O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC (=O)OC1COC2OCCC12 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate |
| 14988 |  A1CNO |
2 | C32 H42 F2 N2 O8 S | InChI=1S/C32H42F2N2O8S/c1 -3-19(4-2)16-36(45(40,41) 24-6-7-25-21(14-24)5-8-28 (25)37)17-29(38)27(13-20- 11-22(33)15-23(34)12-20)3 5-32(39)44-30-18-43-31-26 (30)9-10-42-31/h6-7,11-12 ,14-15,19,26-31,37-38H,3- 5,8-10,13,16-18H2,1-2H3,( H,35,39)/t26-,27-,28-,29+ ,30-,31+/m0/s1; TUNBVFHGUDWCAR-NZHSYQGNSA-N |
CCC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)N C(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c 4ccc5[CH](O)CCc5c4; CCC(CC)CN(C[C@@H](O) [C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@H]2CO[C@ H]3OCC[C@@H]23)[S](=O)(=O)c4ccc5[C@@H](O )CCc5c4; CCC(CC)CN(C[C@H]([C@H](Cc1cc(cc (c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3 )O)S(=O)(=O)c4ccc5c(c4)CC[C@@H]5O; CCC(C C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C 2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O; OC1CC c2cc(ccc21)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc 1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxybutan-2-yl]carbamate |
| 14989 |  A1CNP |
1 | C25 H27 N3 O4 | InChI=1S/C25H27N3O4/c29-2 2-9-8-21(23(30)26-22)28-1 6-18-14-19(6-7-20(18)24(2 8)31)25(32)10-12-27(13-11 -25)15-17-4-2-1-3-5-17/h1 -7,14,21,32H,8-13,15-16H2 ,(H,26,29,30)/t21-/m0/s1; JLBQVXKEOWCSBT-NRFANRHFSA-N |
c1ccc(cc1)CN2CCC(CC2)(c3ccc4c(c3)CN(C4=O )[C@H]5CCC(=O)NC5=O)O; OC1(CCN(CC1)Cc2cc ccc2)c3ccc4C(=O)N(Cc4c3)[C@H]5CCC(=O)NC5 =O; OC1(CCN(CC1)Cc2ccccc2)c3ccc4C(=O)N(C c4c3)[CH]5CCC(=O)NC5=O; c1ccc(cc1)CN2CCC (CC2)(c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O) O; O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1(O)C CN(Cc2ccccc2)CC1 |
(3S)-3-[5-(1-benzyl-4-hydroxypiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione |
| 14990 |  A1CNQ |
8 | C15 H15 Br N4 O | InChI=1S/C15H15BrN4O/c16- 12-3-1-10(2-4-12)14(15(17 )21)20-6-5-11-7-18-9-19-1 3(11)8-20/h1-4,7,9,14H,5- 6,8H2,(H2,17,21)/t14-/m0/ s1; HVNREMAUPHVTGZ-AWEZNQCLSA-N |
NC(=O)[CH](N1CCc2cncnc2C1)c3ccc(Br)cc3; c1cc(ccc1[C@@H](C(=O)N)N2CCc3cncnc3C2)Br ; c1cc(ccc1C(C(=O)N)N2CCc3cncnc3C2)Br; N C(=O)[C@@H](N1CCc2cncnc2C1)c3ccc(Br)cc3; Brc1ccc(cc1)C(C(N)=O)N1CCc2cncnc2C1 |
(2S)-2-(4-bromophenyl)-2-(5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)acetamide |
| 14991 |  A1CNT |
0 | C10 H15 N2 O8 P | InChI=1S/C10H15N2O8P/c1-5 -2-12(10(15)11-8(5)14)9-7 (13)6(3-19-9)4-20-21(16,1 7)18/h2,6-7,9,13H,3-4H2,1 H3,(H,11,14,15)(H2,16,17, 18)/t6-,7-,9-/m1/s1; CLFGYSCORDJBPE-ZXFLCMHBSA-N |
CC1=CN([CH]2OC[CH](CO[P](O)(O)=O)[CH]2O) C(=O)NC1=O; O=P(O)(O)OCC1COC(N2C=C(C)C(= O)NC2=O)C1O; CC1=CN([C@@H]2OC[C@H](CO[P] (O)(O)=O)[C@H]2O)C(=O)NC1=O; CC1=CN(C(=O )NC1=O)[C@H]2[C@@H]([C@H](CO2)COP(=O)(O) O)O; CC1=CN(C(=O)NC1=O)C2C(C(CO2)COP(=O) (O)O)O |
[(3R,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl]methyl dihydrogen phosphate |
| 14992 |  A1CNU CHEMBL5314462 DB21613 |
2 | C15 H14 F N3 O | InChI=1S/C15H14FN3O/c16-1 1-8-12(9-4-2-1-3-5-9)19-1 5(11)17-14(18-19)13(20)10 -6-7-10/h1-5,10-12H,6-8H2 /t11-,12-/m0/s1; LMXPZWQVDDSYHH-RYUDHWBXSA-N |
c1ccc(cc1)C2CC(c3n2nc(n3)C(=O)C4CC4)F; F [C@H]1C[C@H](n2nc(nc12)C(=O)C3CC3)c4cccc c4; c1ccc(cc1)[C@@H]2C[C@@H](c3n2nc(n3)C (=O)C4CC4)F; F[CH]1C[CH](n2nc(nc12)C(=O) C3CC3)c4ccccc4; FC1CC(c2ccccc2)n2nc(nc12 )C(=O)C1CC1 |
cyclopropyl[(4R,5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone |
| 14993 |  A1CNV |
4 | C12 H10 Cl2 N2 O2 | InChI=1S/C12H10Cl2N2O2/c1 -18-12(17)11-5-6-16(15-11 )7-8-9(13)3-2-4-10(8)14/h 2-6H,7H2,1H3; CLGZXCPIPUTMMX-UHFFFAOYSA-N |
COC(=O)c1ccn(n1)Cc2c(cccc2Cl)Cl; COC(=O) c1ccn(Cc2c(Cl)cccc2Cl)n1; O=C(OC)c1ccn(C c2c(Cl)cccc2Cl)n1 |
methyl 1-[(2,6-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylate |
| 14994 |  A1CNY |
2 | C30 H40 F2 N2 O8 S | InChI=1S/C30H40F2N2O8S/c1 -4-18(2)15-34(43(38,39)24 -7-5-21(6-8-24)19(3)35)16 -27(36)26(13-20-11-22(31) 14-23(32)12-20)33-30(37)4 2-28-17-41-29-25(28)9-10- 40-29/h5-8,11-12,14,18-19 ,25-29,35-36H,4,9-10,13,1 5-17H2,1-3H3,(H,33,37)/t1 8-,19-,25-,26-,27+,28-,29 +/m0/s1; TWPFEZUGJPMUHE-MPGHVIBCSA-N |
CC[C@H](C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F) F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(= O)(=O)c4ccc(cc4)[C@H](C)O; CCC(C)CN(CC(C (Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S (=O)(=O)c4ccc(cc4)C(C)O; CC[CH](C)CN(C[C H](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO [CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH] (C)O; CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC) CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC 12; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1cc(F )cc(F)c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]2 3)[S](=O)(=O)c4ccc(cc4)[C@H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate |
| 14995 |  A1CNZ |
2 | C30 H40 N2 O8 S | InChI=1S/C30H40N2O8S/c1-1 9(2)16-32(41(36,37)22-9-1 0-23-21(15-22)8-11-26(23) 33)17-27(34)25(14-20-6-4- 3-5-7-20)31-30(35)40-28-1 8-39-29-24(28)12-13-38-29 /h3-7,9-10,15,19,24-29,33 -34H,8,11-14,16-18H2,1-2H 3,(H,31,35)/t24-,25-,26+, 27+,28-,29+/m0/s1; ZUJYSJKUYHLPON-OUDUKYORSA-N |
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C @H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc 5c(c4)CC[C@H]5O; CC(C)CN(C[CH](O)[CH](Cc 1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S] (=O)(=O)c4ccc5[CH](O)CCc5c4; CC(C)CN(C[C @@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C @H]3OCC[C@@H]23)[S](=O)(=O)c4ccc5[C@H](O )CCc5c4; OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C )C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C CO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
| 14996 |  A1COA |
5 | C19 H25 F2 N3 O | InChI=1S/C19H25F2N3O/c1-4 -24(5-2)7-6-14-10-16(20)1 9(21)17(11-14)25-12-15-8- 13(3)9-18(22)23-15/h8-11H ,4-7,12H2,1-3H3,(H2,22,23 ); LFXFIXSVMRZERO-UHFFFAOYSA-N |
CCN(CC)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c 1; CCN(CC)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2 )N)C; Cc1cc(COc2cc(CCN(CC)CC)cc(F)c2F)nc (N)c1 |
6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine |
| 14997 |  A1COE |
2 | C30 H40 F2 N2 O8 S | InChI=1S/C30H40F2N2O8S/c1 -4-18(2)15-34(43(38,39)24 -7-5-21(6-8-24)19(3)35)16 -27(36)26(13-20-11-22(31) 14-23(32)12-20)33-30(37)4 2-28-17-41-29-25(28)9-10- 40-29/h5-8,11-12,14,18-19 ,25-29,35-36H,4,9-10,13,1 5-17H2,1-3H3,(H,33,37)/t1 8-,19+,25-,26-,27+,28-,29 +/m0/s1; TWPFEZUGJPMUHE-VCXVXRJXSA-N |
CCC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2C OC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC [CH](C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)N C(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c 4ccc(cc4)[CH](C)O; CC(O)c1ccc(cc1)S(=O)( =O)N(CC(C)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(= O)OC1COC2OCCC12; CC[C@H](C)CN(C[C@H]([C@ H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H] 3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H]( C)O; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1cc( F)cc(F)c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H] 23)[S](=O)(=O)c4ccc(cc4)[C@@H](C)O |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate |
| 14998 |  A1COF |
1 | C17 H14 F2 N4 O4 | InChI=1S/C17H14F2N4O4/c18 -10-2-1-8(11(19)5-10)6-22 -16(25)13-14(20)12-9(7-24 )3-4-21-15(12)23(27)17(13 )26/h1-5,24,27H,6-7,20H2, (H,22,25); GAJNOXPBHJNHIV-UHFFFAOYSA-N |
NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc c(CO)c13; Fc1ccc(CNC(=O)C2=C(N)c3c(nccc3 CO)N(O)C2=O)c(F)c1; c1cc(c(cc1F)F)CNC(=O )C2=C(c3c(ccnc3N(C2=O)O)CO)N |
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide |
| 14999 |  A1COK |
1 | C20 H24 F3 N3 O | InChI=1S/C20H24F3N3O/c1-1 3-7-16(25-19(24)8-13)12-2 7-18-10-14(9-17(22)20(18) 23)4-6-26-5-2-3-15(21)11- 26/h7-10,15H,2-6,11-12H2, 1H3,(H2,24,25)/t15-/m0/s1; BJWXCSTUZUPYSC-HNNXBMFYSA-N |
Cc1cc(N)nc(COc2cc(CCN3CCC[CH](F)C3)cc(F) c2F)c1; Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F) C2)cc(F)c1F; Cc1cc(nc(c1)N)COc2cc(cc(c2F )F)CCN3CCCC(C3)F; Cc1cc(N)nc(COc2cc(CCN3 CCC[C@H](F)C3)cc(F)c2F)c1; Cc1cc(nc(c1)N )COc2cc(cc(c2F)F)CCN3CCC[C@@H](C3)F |
6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine |
| 15000 |  A1CQ0 |
3 | C28 H28 Cl N5 O2 | InChI=1S/C28H28ClN5O2/c29 -25-22(28(36)30-15-13-23( 35)33-16-7-8-17-33)19-31- 27-24(25)26(21-11-5-2-6-1 2-21)32-34(27)18-14-20-9- 3-1-4-10-20/h1-6,9-12,19H ,7-8,13-18H2,(H,30,36); DJVUDQJDGKLLLE-UHFFFAOYSA-N |
O=C(CCNC(=O)c1cnc2c(c1Cl)c(nn2CCc1ccccc1 )c1ccccc1)N1CCCC1; c1ccc(cc1)CCn2c3c(c(c (cn3)C(=O)NCCC(=O)N4CCCC4)Cl)c(n2)c5cccc c5; Clc1c(cnc2n(CCc3ccccc3)nc(c4ccccc4)c 12)C(=O)NCCC(=O)N5CCCC5 |
4-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |