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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 29601 | JEA CHEMBL4439006 |
2 | C23 H29 Cl N8 O2 | InChI=1S/C23H29ClN8O2/c1- 12-18(25)23(11-34-12)6-9- 32(10-7-23)22-28-19-15(21 (33)31(22)2)17(29-30-19)1 4-5-8-26-20(16(14)24)27-1 3-3-4-13/h5,8,12-13,18H,3 -4,6-7,9-11,25H2,1-2H3,(H ,26,27)(H,29,30)/t12-,18+ /m0/s1; URUPFUYPXLMTMT-KPZWWZAWSA-N |
CC1C(C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc( c5Cl)NC6CC6)C(=O)N3C)CO1)N; c12nnc(c1C(= O)N(C)C(=N2)N4CCC3(C(C(OC3)C)N)CC4)c5ccn c(c5Cl)NC6CC6; C[C@@H]1OCC2(CCN(CC2)C3=N c4n[nH]c(c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[ C@@H]1N; C[CH]1OCC2(CCN(CC2)C3=Nc4n[nH]c (c5ccnc(NC6CC6)c5Cl)c4C(=O)N3C)[CH]1N; C [C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4) c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N |
6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| 29602 | JEB CHEMBL4583591 |
2 | C18 H14 N6 | InChI=1S/C18H14N6/c19-9-1 5-17(22-23-18(15)20)14-4- 3-13-5-7-24(16(13)8-14)11 -12-2-1-6-21-10-12/h1-8,1 0H,11H2,(H3,20,22,23); LBFCIYHKVAYEJG-UHFFFAOYSA-N |
c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N )C#N; Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4)c3c2 )c1C#N |
5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29603 | JEC CHEMBL2334255 ZINC000095590893 |
1 | C25 H21 Br N2 O3 | InChI=1S/C25H21BrN2O3/c26 -19-12-14-20(15-13-19)28- 23(18-7-2-1-3-8-18)17-22( 27-28)21-9-4-5-10-24(21)3 1-16-6-11-25(29)30/h1-5,7 -10,12-15,17H,6,11,16H2,( H,29,30); WXZVIQMWLYGTHW-UHFFFAOYSA-N |
OC(=O)CCCOc1ccccc1c2cc(n(n2)c3ccc(Br)cc3 )c4ccccc4; c1ccc(cc1)c2cc(nn2c3ccc(cc3)B r)c4ccccc4OCCCC(=O)O |
4-[2-[1-(4-bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid |
| 29604 | JED CHEMBL4548850 ZINC000020492084 |
2 | C20 H14 Br N3 O2 | InChI=1S/C20H14BrN3O2/c1- 11-2-4-12(5-3-11)16-10-15 (20(25)26)17-18(23-24-19( 17)22-16)13-6-8-14(21)9-7 -13/h2-10H,1H3,(H,25,26)( H,22,23,24); ZSKVLMBZFPQPHV-UHFFFAOYSA-N |
Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4) Br)C(=O)O; c13c(nnc1c2ccc(Br)cc2)nc(cc3C (O)=O)c4ccc(C)cc4; Cc1ccc(cc1)c2cc(C(O)= O)c3c([nH]nc3c4ccc(Br)cc4)n2 |
3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
| 29605 | JEE CHEMBL4434796 |
2 | C24 H24 N6 O | InChI=1S/C24H24N6O/c25-14 -21-23(27-28-24(21)26)20- 6-5-19-7-8-30(22(19)13-20 )16-18-3-1-17(2-4-18)15-2 9-9-11-31-12-10-29/h1-8,1 3H,9-12,15-16H2,(H3,26,27 ,28); UYOMCTXSEJZTSM-UHFFFAOYSA-N |
c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N) C#N)CN5CCOCC5; Nc1[nH]nc(c2ccc3ccn(Cc4cc c(CN5CCOCC5)cc4)c3c2)c1C#N |
5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29606 | JEF | 42 | C30 H63 N O10 | InChI=1S/C30H63NO10/c1-22 (31)13-33-14-23(2)35-16-2 5(4)37-18-27(6)39-20-29(8 )41-21-30(9)40-19-28(7)38 -17-26(5)36-15-24(3)34-12 -11-32-10/h22-30H,11-21,3 1H2,1-10H3/t22?,23-,24?,2 5-,26?,27+,28-,29+,30?/m1 /s1; ICCXIDTYQFYPNV-RUMGZKRTSA-N |
COCCOC(C)COC(C)CO[CH](C)CO[CH](C)CO[CH]( C)CO[CH](C)CO[CH](C)CO[CH](C)COCC(C)N; O (C(C)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C )COCC(N)C)CC(OCCOC)C; C[C@@H](COC[C@@H]( C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)O C[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N; COCCOC(C)COC(C)CO[C@H](C)CO[C@H](C)CO[C@ @H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC C(C)N; CC(COCC(C)OCC(C)OCC(C)OCC(C)OCC(C )OCC(C)OCC(C)OCC(C)OCCOC)N |
O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500); JEFFAMINE |
| 29607 | JEG CHEMBL1437288 ZINC000100114054 |
2 | C6 H9 N O4 | InChI=1S/C6H9NO4/c7-6(5(1 0)11)1-3(2-6)4(8)9/h3H,1- 2,7H2,(H,8,9)(H,10,11)/t3 -,6-; GGMYWPBNZXRMME-HSRNZHMGSA-N |
N[C]1(C[CH](C1)C(O)=O)C(O)=O; N[C@@]1(C[ C@H](C1)C(O)=O)C(O)=O; C1C(CC1(C(=O)O)N) C(=O)O; O=C(O)C1CC(C(=O)O)(N)C1 |
trans-1-aminocyclobutane-1,3-dicarboxylic acid |
| 29608 | JEH CHEMBL4567409 |
2 | C27 H31 N7 | InChI=1S/C27H31N7/c1-19(2 )33-13-11-32(12-14-33)17- 20-3-5-21(6-4-20)18-34-10 -9-22-7-8-23(15-25(22)34) 26-24(16-28)27(29)31-30-2 6/h3-10,15,19H,11-14,17-1 8H2,1-2H3,(H3,29,30,31); ZLJXHHAUABPXJM-UHFFFAOYSA-N |
CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc 4)c5c(c([nH]n5)N)C#N; CC(C)N1CCN(CC1)Cc2 ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2 |
5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29609 | JEI CHEMBL5573402 |
8 | C15 H24 N6 O9 P2 | InChI=1S/C15H24N6O9P2/c16 -15-18-13-12(14(23)19-15) 17-8-21(13)9-5-10(7-30-2- 4-32(27,28)29)20(6-9)11(2 2)1-3-31(24,25)26/h8-10H, 1-7H2,(H2,24,25,26)(H2,27 ,28,29)(H3,16,18,19,23)/t 9-,10+/m1/s1; APDUDHYPFAMPGN-ZJUUUORDSA-N |
c1nc2c(n1C3CC(N(C3)C(=O)CCP(=O)(O)O)COCC P(=O)(O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O )N1)[CH]3C[CH](COCC[P](O)(O)=O)N(C3)C(=O )CC[P](O)(O)=O; c1nc2c(n1[C@@H]3C[C@H](N (C3)C(=O)CCP(=O)(O)O)COCCP(=O)(O)O)N=C(N C2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3C[C@ @H](COCC[P](O)(O)=O)N(C3)C(=O)CC[P](O)(O )=O; O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O )O)n1cnc2c1N=C(N)NC2=O |
(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
| 29610 | JEJ CHEMBL4445754 |
2 | C22 H20 Cl N3 O2 | InChI=1S/C22H20ClN3O2/c1- 25(2)13-14-8-10-15(11-9-1 4)18-12-19-20(22(27)26(18 )3)21(24-28-19)16-6-4-5-7 -17(16)23/h4-12H,13H2,1-3 H3; WXMDAZVVTXLFMQ-UHFFFAOYSA-N |
c1cccc(c1Cl)c2c4c(on2)C=C(c3ccc(cc3)CN(C )C)N(C)C4=O; CN1C(=Cc2c(c(no2)c3ccccc3Cl )C1=O)c4ccc(cc4)CN(C)C; CN(C)Cc1ccc(cc1) C2=Cc3onc(c4ccccc4Cl)c3C(=O)N2C |
3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one |
| 29611 | JEK CHEMBL4453792 |
2 | C25 H26 N6 | InChI=1S/C25H26N6/c26-15- 22-24(28-29-25(22)27)21-9 -8-20-10-13-31(23(20)14-2 1)17-19-6-4-18(5-7-19)16- 30-11-2-1-3-12-30/h4-10,1 3-14H,1-3,11-12,16-17H2,( H3,27,28,29); OKTJXLZKXVWLTD-UHFFFAOYSA-N |
Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4 )c3c2)c1C#N; c1cc(ccc1Cn2ccc3c2cc(cc3)c4 c(c([nH]n4)N)C#N)CN5CCCCC5 |
5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29612 | JEL CHEMBL5081610 |
2 | C25 H19 N3 O3 | InChI=1S/C25H19N3O3/c1-2- 7-21-19(6-1)20-12-25(27-1 4-22(20)28-21)26-13-16-4- 3-5-17(10-16)31-18-8-9-23 -24(11-18)30-15-29-23/h1- 12,14,28H,13,15H2,(H,26,2 7); AGUNDEAVRTZOAH-UHFFFAOYSA-N |
C1Oc2ccc(Oc3cccc(CNc4cc5c([nH]c6ccccc56) cn4)c3)cc2O1; c1ccc2c(c1)c3cc(ncc3[nH]2) NCc4cccc(c4)Oc5ccc6c(c5)OCO6 |
N-[[3-(1,3-benzodioxol-5-yloxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine |
| 29613 | JEN CHEMBL1233737 DB08017 |
2 | C16 H20 N4 O | InChI=1S/C16H20N4O/c1-13- 4-3-5-14(12-13)19-8-10-20 (11-9-19)15-6-7-16(21-2)1 8-17-15/h3-7,12H,8-11H2,1 -2H3; DDOAUTHWSCUHQA-UHFFFAOYSA-N |
COc1ccc(nn1)N2CCN(CC2)c3cccc(C)c3; Cc1cc cc(c1)N2CCN(CC2)c3ccc(nn3)OC; n1nc(ccc1O C)N3CCN(c2cc(ccc2)C)CC3 |
3-METHOXY-6-[4-(3-METHYLPHENYL)-1-PIPERAZINYL]PYRIDAZINE |
| 29614 | JEO | 0 | C21 H32 N2 O3 | InChI=1S/C21H32N2O3/c1-20 -7-5-13(23-26-10-9-22)11- 17(20)18(24)12-14-15-3-4- 19(25)21(15,2)8-6-16(14)2 0/h14-17H,3-12,22H2,1-2H3 /b23-13-/t14-,15-,16-,17- ,20+,21-/m0/s1; MPYLDWFDPHRTEG-RQMWLPRYSA-N |
C[C@]12CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H] 3[C@@H]2CC[C@]4([C@H]3CCC4=O)C; CC12CCC( =NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C; C[C ]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[C H]3CCC4=O)=NOCCN; C[C@]12CCC(/C[C@H]1C(= O)C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CCC4=O )=N/OCCN |
(3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{S})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
| 29615 | JEQ | 3 | C25 H26 N6 | InChI=1S/C25H26N6/c26-14- 22-24(28-29-25(22)27)21-9 -8-20-10-12-31(23(20)13-2 1)17-19-7-4-11-30(16-19)1 5-18-5-2-1-3-6-18/h1-3,5- 6,8-10,12-13,19H,4,7,11,1 5-17H2,(H3,27,28,29)/t19- /m1/s1; RLAAKYCZJLWQDL-LJQANCHMSA-N |
c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4 )c5c(c([nH]n5)N)C#N; Nc1[nH]nc(c2ccc3ccn (C[C@@H]4CCCN(C4)Cc5ccccc5)c3c2)c1C#N; N c1[nH]nc(c2ccc3ccn(C[CH]4CCCN(C4)Cc5cccc c5)c3c2)c1C#N; c1ccc(cc1)CN2CCCC(C2)Cn3c cc4c3cc(cc4)c5c(c([nH]n5)N)C#N |
5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29616 | JER CHEMBL4297505 DB12705 ZINC000167253016 |
1 | C25 H31 N3 O5 | InChI=1S/C25H31N3O5/c1-4- 16-10-18(9-15(2)23(16)32- 14-20(30)13-29)24-27-25(3 3-28-24)19-11-21(17-7-5-6 -8-17)26-22(12-19)31-3/h9 -12,17,20,29-30H,4-8,13-1 4H2,1-3H3/t20-/m0/s1; KJKKMMMRWISKRF-FQEVSTJZSA-N |
CCc1cc(cc(c1OCC(CO)O)C)c2nc(on2)c3cc(nc( c3)OC)C4CCCC4; CCc1cc(cc(c1OC[C@H](CO)O) C)c2nc(on2)c3cc(nc(c3)OC)C4CCCC4; CCc1cc (cc(C)c1OC[C@@H](O)CO)c2noc(n2)c3cc(OC)n c(c3)C4CCCC4; CCc1cc(cc(C)c1OC[CH](O)CO) c2noc(n2)c3cc(OC)nc(c3)C4CCCC4 |
(2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol |
| 29617 | JET CHEMBL4541236 |
2 | C14 H14 N2 O5 | InChI=1S/C14H14N2O5/c1-19 -13(17)9-20-12-4-2-3-10(5 -12)8-21-14(18)11-6-15-16 -7-11/h2-7H,8-9H2,1H3,(H, 15,16); HARZTHMZNXIIKQ-UHFFFAOYSA-N |
COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2; CO C(=O)COc1cccc(COC(=O)c2c[nH]nc2)c1 |
[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{H}-pyrazole-4-carboxylate |
| 29618 | JEU CHEMBL3707247 DB12612 ZINC000116109867 |
1 | C23 H24 N4 O3 | InChI=1S/C23H24N4O3/c1-14 (2)29-21-9-6-15(12-16(21) 13-24)23-26-22(27-30-23)1 9-5-3-4-18-17(19)7-8-20(1 8)25-10-11-28/h3-6,9,12,1 4,20,25,28H,7-8,10-11H2,1 -2H3/t20-/m0/s1; XRVDGNKRPOAQTN-FQEVSTJZSA-N |
CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3cccc4c3CCC 4NCCO; CC(C)Oc1ccc(cc1C#N)c2nc(no2)c3ccc c4c3CC[C@@H]4NCCO; CC(C)Oc1ccc(cc1C#N)c2 onc(n2)c3cccc4[CH](CCc34)NCCO; CC(C)Oc1c cc(cc1C#N)c2onc(n2)c3cccc4[C@H](CCc34)NC CO |
5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile |
| 29619 | JEV CHEMBL1218 DB00980 ZINC000003960338 |
6 | C16 H21 N O2 | InChI=1S/C16H21NO2/c1-2-1 5(18)17-9-7-12-4-3-11-5-6 -14-13(16(11)12)8-10-19-1 4/h5-6,12H,2-4,7-10H2,1H3 ,(H,17,18)/t12-/m0/s1; YLXDSYKOBKBWJQ-LBPRGKRZSA-N |
CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3; CCC(=O)N CC[C@@H]1CCc2c1c3c(cc2)OCC3; CCC(=O)NCC[ C@@H]1CCc2ccc3OCCc3c12; C(NC(CC)=O)CC3CC c2ccc1OCCc1c23; CCC(=O)NCC[CH]1CCc2ccc3O CCc3c12 |
N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide; Ramelteon |
| 29620 | JEW CHEMBL4531919 |
2 | C19 H15 N5 | InChI=1S/C19H15N5/c20-11- 15-3-1-2-4-16(15)12-24-8- 7-13-5-6-14(9-18(13)24)17 -10-19(21)23-22-17/h1-10H ,12H2,(H3,21,22,23); BIAUTOGYZPQBHF-UHFFFAOYSA-N |
Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4C#N)c3c2 ; c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4 )N)C#N |
2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile |
| 29621 | JEX CHEMBL224720 ZINC000002141876 |
1 | C20 H10 F6 N2 O S | InChI=1S/C20H10F6N2OS/c21 -19(22,23)13-8-4-7-12(9-1 3)17-27-18(29-28-17)15-10 -14(11-5-2-1-3-6-11)16(30 -15)20(24,25)26/h1-10H; OYMNPJXKQVTQTR-UHFFFAOYSA-N |
FC(F)(F)c1cccc(c1)c2noc(n2)c3sc(c(c3)c4c cccc4)C(F)(F)F; c1ccc(cc1)c2cc(sc2C(F)(F )F)c3nc(no3)c4cccc(c4)C(F)(F)F |
5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole |
| 29622 | JEY CHEMBL15060 ZINC000002568228 |
8 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c1-13 (22)20-11-10-16-17-12-15( 23-2)8-9-18(17)21-19(16)1 4-6-4-3-5-7-14/h3-9,12,21 H,10-11H2,1-2H3,(H,20,22); OFCLARYYBGKCHN-UHFFFAOYSA-N |
C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C; CC (=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC; COc 1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3 |
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide; 2-phenylmelatonin |
| 29623 | JF0 ZINC000098209043 |
1 | C26 H29 N3 O2 | InChI=1S/C26H29N3O2/c1-21 -6-5-7-23(20-21)22-8-10-2 5(11-9-22)31-19-4-2-3-16- 28-17-18-29(26(28)30)24-1 2-14-27-15-13-24/h5-15,20 H,2-4,16-19H2,1H3; CVCFJWDRTKFPMW-UHFFFAOYSA-N |
Cc1cccc(c1)c2ccc(cc2)OCCCCCN3CCN(C3=O)c4 ccncc4; O=C2N(c1ccncc1)CCN2CCCCCOc4ccc(c 3cccc(c3)C)cc4; Cc1cccc(c1)c2ccc(OCCCCCN 3CCN(C3=O)c4ccncc4)cc2 |
1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-( |
| 29624 | JF1 | 16 | C14 H26 N | InChI=1S/C14H25N/c1-11(2) 13-7-9-15-8-5-6-12(3)14(1 5,4)10-13/h12-13H,1,5-10H 2,2-4H3/p+1/t12-,13-,14+/ m0/s1; XJMHVRNRJICXTC-MELADBBJSA-O |
C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C )C; C=C(/C2CC1(C(CCC[NH+]1CC2)C)C)C; CC1 CCC[NH+]2C1(CC(CC2)C(=C)C)C; C[C@H]1CCC[ NH+]2CC[C@@H](C[C@]12C)C(C)=C; C[CH]1CCC [NH+]2CC[CH](C[C]12C)C(C)=C |
(1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
| 29625 | JF2 | 4 | C14 H26 N | InChI=1S/C14H25N/c1-11(2) 13-7-9-15-8-5-6-12(3)14(1 5,4)10-13/h12-13H,1,5-10H 2,2-4H3/p+1/t12-,13-,14+/ m1/s1; XJMHVRNRJICXTC-MCIONIFRSA-O |
C=C(/C2CC1(C(CCC[NH+]1CC2)C)C)C; CC1CCC[ NH+]2C1(CC(CC2)C(=C)C)C; C[CH]1CCC[NH+]2 CC[CH](C[C]12C)C(C)=C; C[C@@H]1CCC[NH+]2 CC[C@H](C[C@@]12C)C(C)=C; C[C@@H]1CCC[NH +]2[C@]1(C[C@@H](CC2)C(=C)C)C |
(1R,5R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
| 29626 | JF4 | 4 | C14 H26 N | InChI=1S/C14H25N/c1-11(2) 13-7-9-14(4)8-5-6-12(3)15 (14)10-13/h12-13H,1,5-10H 2,2-4H3/p+1/t12-,13+,14-/ m1/s1; YWWMOEVECQBYFY-HZSPNIEDSA-O |
CC1CCCC2([NH+]1CC(CC2)C(=C)C)C; C[C@@H]1 CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C; C=C( /C2CCC1(CCCC(C)[NH+]1C2)C)C; C[C@@H]1CCC [C@]2(C)CC[C@@H](C[NH+]12)C(C)=C; C[CH]1 CCC[C]2(C)CC[CH](C[NH+]12)C(C)=C |
(3R,5S,6R,9aR)-6,9a-dimethyl-3-(prop-1-en-2-yl)octahydro-2H-quinolizinium |
| 29627 | JF5 CHEMBL4536428 |
6 | C11 H10 N2 O2 | InChI=1S/C11H10N2O2/c14-1 1(10-6-12-13-7-10)15-8-9- 4-2-1-3-5-9/h1-7H,8H2,(H, 12,13); OZQCSFKTURXPAA-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)c2c[nH]nc2; O=C(OCc1ccc cc1)c2c[nH]nc2 |
(phenylmethyl) 1~{H}-pyrazole-4-carboxylate |
| 29628 | JF6 CHEMBL487818 ZINC000000075651 |
1 | C8 H7 N3 O | InChI=1S/C8H7N3O/c9-8-7(1 0-12-11-8)6-4-2-1-3-5-6/h 1-5H,(H2,9,11); APGIIVSHRRCAPU-UHFFFAOYSA-N |
Nc1nonc1c2ccccc2; n1onc(N)c1c2ccccc2; c1 ccc(cc1)c2c(non2)N |
4-PHENYL-1,2,5-OXADIAZOL-3-AMINE |
| 29629 | JF8 CHEMBL4548872 |
2 | C12 H9 N5 | InChI=1S/C12H9N5/c13-6-9- 11(16-17-12(9)14)8-2-1-7- 3-4-15-10(7)5-8/h1-5,15H, (H3,14,16,17); ALVYLOVBZSBJDI-UHFFFAOYSA-N |
Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N; c1cc(c c2c1cc[nH]2)c3c(c([nH]n3)N)C#N |
5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile |
| 29630 | JF9 CHEMBL1970071 ZINC000020428865 |
1 | C19 H28 N2 O2 | InChI=1S/C19H28N2O2/c22-1 9(17-13-18(23-20-17)14-11 -12-14)21(15-7-3-1-4-8-15 )16-9-5-2-6-10-16/h13-16H ,1-12H2; NDKGACIWVAOUQH-UHFFFAOYSA-N |
c1c(onc1C(=O)N(C2CCCCC2)C3CCCCC3)C4CC4; O=C(N(C1CCCCC1)C2CCCCC2)c3cc(on3)C4CC4 |
N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide |
| 29631 | JFA CHEMBL4744635 |
1 | C18 H14 Cl2 N4 O | InChI=1S/C18H14Cl2N4O/c19 -12-6-5-11(14(20)8-12)7-1 3-9-24(18(25)21-13)10-17- 22-15-3-1-2-4-16(15)23-17 /h1-6,8-9H,7,10H2,(H,21,2 5)(H,22,23); ZHAMKWDXQMODPF-UHFFFAOYSA-N |
c1ccc2c(c1)[nH]c(n2)CN3C=C(NC3=O)Cc4ccc( cc4Cl)Cl; Clc1ccc(CC2=CN(Cc3[nH]c4ccccc4 n3)C(=O)N2)c(Cl)c1; c4cc(CC=1NC(=O)N(C=1 )Cc2nc3c(n2)cccc3)c(Cl)cc4Cl |
1-[(1H-benzimidazol-2-yl)methyl]-4-[(2,4-dichlorophenyl)methyl]-1,3-dihydro-2H-imidazol-2-one |
| 29632 | JFB CHEMBL4576907 |
2 | C18 H14 N6 | InChI=1S/C18H14N6/c19-10- 15-17(22-23-18(15)20)14-2 -1-13-5-8-24(16(13)9-14)1 1-12-3-6-21-7-4-12/h1-9H, 11H2,(H3,20,22,23); MOYIETQNOXXROV-UHFFFAOYSA-N |
Nc1[nH]nc(c2ccc3ccn(Cc4ccncc4)c3c2)c1C#N ; c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N )C#N |
5-azanyl-3-[1-(pyridin-4-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29633 | JFC | 3 | C22 H25 N3 O3 | InChI=1S/C22H25N3O3/c1-2- 28-22(26)21-16-19-15-18(1 7-5-7-23-8-6-17)3-4-20(19 )25(21)10-9-24-11-13-27-1 4-12-24/h3-8,15-16H,2,9-1 4H2,1H3; QBLOLELCAHJBDE-UHFFFAOYSA-N |
CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc 4 |
ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate |
| 29634 | JFD CHEMBL64909 ZINC000000967243 |
3 | C4 H4 Br N3 O2 | InChI=1S/C4H4BrN3O2/c5-1- 2(6)7-4(10)8-3(1)9/h(H4,6 ,7,8,9,10); FSLBEEVCUZFKRL-UHFFFAOYSA-N |
BrC=1C(=O)NC(=O)NC=1N; NC1=C(Br)C(=O)NC( =O)N1; C1(=C(NC(=O)NC1=O)N)Br |
6-amino-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione; 6-amino-5-bromopyrimidine-2,4(1H,3H)-dione |
| 29635 | JFE CHEMBL4571359 |
2 | C19 H18 N4 O | InChI=1S/C19H18N4O/c1-24- 16-4-2-3-13(9-16)12-23-8- 7-14-5-6-15(10-18(14)23)1 7-11-19(20)22-21-17/h2-11 H,12H2,1H3,(H3,20,21,22); HOUGYQANDNDSLX-UHFFFAOYSA-N |
COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4) N; COc1cccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n 4)c1 |
3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
| 29636 | JFF | 3 | C19 H26 Cl N5 O6 S | InChI=1S/C19H26ClN5O6S/c2 0-7-15(26)23-5-6-24-17(27 )12-3-1-11(2-4-12)16(13(8 -21)9-22)32-10-14(18(28)2 9)25-19(30)31/h1-4,14,25H ,5-10,21-22H2,(H,23,26)(H ,24,27)(H,28,29)(H,30,31); SHRIZMDECXYRNC-UHFFFAOYSA-N |
c1cc(ccc1C(=C(CN)CN)SCC(C(=O)O)NC(=O)O)C (=O)NCCNC(=O)CCl; NCC(CN)=C(SCC(NC(O)=O) C(O)=O)c1ccc(cc1)C(=O)NCCNC(=O)CCl; c1cc (ccc1C(=C(CN)CN)SC[C@H](C(=O)O)NC(=O)O)C (=O)NCCNC(=O)CCl |
(2R)-3-[2-(aminomethyl)-3-azanyl-1-[4-[2-(2-chloranylethanoylamino)ethylcarbamoyl]phenyl]prop-1-enyl]sulfanyl-2-(carboxyamino)propanoic acid |
| 29637 | JFG | 4 | C21 H18 N4 O | InChI=1S/C21H18N4O/c1-14- 8-9-15(2)22-20(14)21(26)2 3-17-10-11-18-12-19(24-25 (18)13-17)16-6-4-3-5-7-16 /h3-13H,1-2H3,(H,23,26); SGINYCKQAHKPGN-UHFFFAOYSA-N |
Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccc cc4; Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1 ccccc1; Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c 4ccccc4)C |
3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide |
| 29638 | JFH CHEMBL4536748 |
2 | C23 H25 N5 | InChI=1S/C23H25N5/c24-23- 14-21(25-26-23)20-8-7-19- 9-12-28(22(19)13-20)16-18 -5-3-17(4-6-18)15-27-10-1 -2-11-27/h3-9,12-14H,1-2, 10-11,15-16H2,(H3,24,25,2 6); QHKSDDZUHNXXME-UHFFFAOYSA-N |
Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCC5)c c4)c3c2; c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([ nH]n4)N)CN5CCCC5 |
3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
| 29639 | JFI | 3 | C19 H23 N3 O2 | InChI=1S/C19H23N3O2/c23-1 9(21-9-10-22-11-13-24-14- 12-22)18-3-1-16(2-4-18)15 -17-5-7-20-8-6-17/h1-8H,9 -15H2,(H,21,23); ZOOXQEDPDUAHGO-UHFFFAOYSA-N |
c1cc(ccc1Cc2ccncc2)C(=O)NCCN3CCOCC3; O=C (NCCN1CCOCC1)c2ccc(Cc3ccncc3)cc2 |
~{N}-(2-morpholin-4-ylethyl)-4-(pyridin-4-ylmethyl)benzamide |
| 29640 | JFJ CHEMBL1178161 ZINC000000161986 |
4 | C8 H10 Cl N | InChI=1S/C8H10ClN/c1-10-6 -7-3-2-4-8(9)5-7/h2-5,10H ,6H2,1H3; ZPNLAQVYPIAHTO-UHFFFAOYSA-N |
CNCc1cccc(c1)Cl; CNCc1cccc(Cl)c1 | 1-(3-chlorophenyl)-N-methylmethanamine |
| 29641 | JFK ZINC000095601094 |
1 | C25 H29 N3 O7 S2 | InChI=1S/C25H29N3O7S2/c1- 33-21-9-6-17(14-22(21)34- 2)35-13-12-27-11-10-16-4- 3-5-20(24(27)29)28(16)37( 31,32)18-7-8-19-23(15-18) 36-25(30)26-19/h6-9,14-16 ,20H,3-5,10-13H2,1-2H3,(H ,26,30)/t16-,20+/m1/s1; ZRLORMGNOHTVCB-UZLBHIALSA-N |
COc1ccc(cc1OC)OCCN2CCC3CCCC(C2=O)N3S(=O) (=O)c4ccc5c(c4)SC(=O)N5; COc1ccc(cc1OC)O CCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(= O)c4ccc5c(c4)SC(=O)N5; COc1ccc(OCCN2CC[C H]3CCC[CH](N3[S](=O)(=O)c4ccc5NC(=O)Sc5c 4)C2=O)cc1OC; COc1ccc(OCCN2CC[C@H]3CCC[C @H](N3[S](=O)(=O)c4ccc5NC(=O)Sc5c4)C2=O) cc1OC; O=C2N(CCOc1ccc(OC)c(OC)c1)CCC3N(C 2CCC3)S(=O)(=O)c5ccc4c(SC(=O)N4)c5 |
(1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one |
| 29642 | JFL CHEMBL5205742 |
7 | C32 H32 F N3 O4 | InChI=1S/C32H32FN3O4/c1-1 7-11-21(33)12-18(2)28(17) 39-26-10-9-20(32(3,4)38)1 3-22(26)24-16-36(5)31(37) 23-14-27(40-29(23)24)25-1 5-34-30(35-25)19-7-6-8-19 /h9-16,19,38H,6-8H2,1-5H3 ,(H,34,35); IIHWPMZRWLVJKK-UHFFFAOYSA-N |
CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCC4)c 5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O; Cc1cc (cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5c nc([nH]5)C6CCC6)C)C(C)(C)O)C)F |
2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
| 29643 | JFM ZINC000000093607 |
10 | C9 H13 N O2 S | InChI=1S/C9H13NO2S/c1-13( 11,12)10-8-7-9-5-3-2-4-6- 9/h2-6,10H,7-8H2,1H3; JGDDFCYMSLNOGJ-UHFFFAOYSA-N |
CS(=O)(=O)NCCc1ccccc1; c1cccc(CCNS(C)(=O )=O)c1; C[S](=O)(=O)NCCc1ccccc1 |
N-(2-phenylethyl)methanesulfonamide |
| 29644 | JFN ZINC000004862149 |
19 | C4 H11 N O | InChI=1S/C4H11NO/c1-4(5)3 -6-2/h4H,3,5H2,1-2H3/t4-/ m1/s1; NXMXETCTWNXSFG-SCSAIBSYSA-N |
CC(COC)N; COC[C@@H](C)N; COC[CH](C)N; C[ C@H](COC)N; COCC(C)N |
(2R)-1-methoxypropan-2-amine; jeffamine |
| 29645 | JFO | 4 | C17 H14 Cl N5 O | InChI=1S/C17H14ClN5O/c1-9 -14-15(19)21-12-7-8-13(24 -2)22-17(12)23(14)16(20-9 )10-5-3-4-6-11(10)18/h3-8 H,1-2H3,(H2,19,21); VZYHJJOJTOWJSO-UHFFFAOYSA-N |
COc1ccc2nc(N)c3n(c2n1)c(nc3C)c4ccccc4Cl; Cc1c2c(nc3ccc(nc3n2c(n1)c4ccccc4Cl)OC)N ; Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n2 1 |
(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine |
| 29646 | JFP CHEMBL4096653 ZINC000000069044 |
11 | C7 H10 N2 O S | InChI=1S/C7H10N2OS/c1-3-6 (10)9-7-8-5(2)4-11-7/h4H, 3H2,1-2H3,(H,8,9,10); AIOZNYOAFODHNA-UHFFFAOYSA-N |
CCC(=O)Nc1scc(C)n1; CCC(=O)Nc1nc(cs1)C | N-(4-methyl-1,3-thiazol-2-yl)propanamide |
| 29647 | JFQ | 9 | C9 H21 N3 | InChI=1S/C9H21N3/c10-6-1- 7-12-9-4-2-8(11)3-5-9/h8- 9,12H,1-7,10-11H2/t8-,9-; QIMPCSMJRMPRJC-KYZUINATSA-N |
C1CC(CCC1N)NCCCN; NCCCN[C@@H]1CC[C@@H](N )CC1; NCCCN[CH]1CC[CH](N)CC1; N(CCCN)C1C CC(N)CC1 |
trans-N-(3-aminopropyl)cyclohexane-1,4-diamine |
| 29648 | JFR CHEMBL5206088 |
7 | C33 H34 F N3 O4 | InChI=1S/C33H34FN3O4/c1-1 8-12-22(34)13-19(2)29(18) 40-27-11-10-21(33(3,4)39) 14-23(27)25-17-37(5)32(38 )24-15-28(41-30(24)25)26- 16-35-31(36-26)20-8-6-7-9 -20/h10-17,20,39H,6-9H2,1 -5H3,(H,35,36); QSRRNUBIKNVQHO-UHFFFAOYSA-N |
CN1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)C4CCCC4) c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O; Cc1c c(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c4)c5 cnc([nH]5)C6CCCC6)C)C(C)(C)O)C)F |
2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
| 29649 | JFS ZINC000000168836 |
15 | C14 H12 N2 O | InChI=1S/C14H12N2O/c17-9- 11-5-7-12(8-6-11)16-10-15 -13-3-1-2-4-14(13)16/h1-8 ,10,17H,9H2; IRZKUEWQJPIBJF-UHFFFAOYSA-N |
c1(ccc(CO)cc1)n3c2ccccc2nc3; OCc1ccc(cc1 )n2cnc3ccccc23; c1ccc2c(c1)ncn2c3ccc(cc3 )CO |
[4-(1H-benzimidazol-1-yl)phenyl]methanol |
| 29650 | JFT CHEMBL4434680 |
2 | C18 H13 Cl N6 | InChI=1S/C18H13ClN6/c19-1 5-10-25(9-11-2-1-5-22-8-1 1)16-6-12(3-4-13(15)16)17 -14(7-20)18(21)24-23-17/h 1-6,8,10H,9H2,(H3,21,23,2 4); AJLPROLDTQRMOM-UHFFFAOYSA-N |
c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4) N)C#N)Cl; Nc1n[nH]c(c2ccc3c(Cl)cn(Cc4ccc nc4)c3c2)c1C#N |
3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
| 29651 | JFU | 8 | C23 H23 F2 N5 O3 S | InChI=1S/C23H23F2N5O3S/c1 -3-30-18-6-5-17(27-34(32, 33)19-7-4-14(24)12-16(19) 25)22-21(18)15(23(30)31)1 3-20(26-22)29-10-8-28(2)9 -11-29/h4-7,12-13,27H,3,8 -11H2,1-2H3; ZZUDTFPBUNVHFP-UHFFFAOYSA-N |
CCN1c2ccc(c3c2c(cc(n3)N4CCN(CC4)C)C1=O)N S(=O)(=O)c5ccc(cc5F)F; CCN1C(=O)c2cc(nc3 c(N[S](=O)(=O)c4ccc(F)cc4F)ccc1c23)N5CCN (C)CC5 |
~{N}-[2-ethyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]-2,4-bis(fluoranyl)benzenesulfonamide |
| 29652 | JFV ZINC000000168899 |
2 | C14 H13 N O3 | InChI=1S/C14H13NO3/c1-17- 14(16)12-4-2-3-5-13(12)18 -11-8-6-10(15)7-9-11/h2-9 H,15H2,1H3; FXHKMQZPYDWTCS-UHFFFAOYSA-N |
COC(=O)c1ccccc1Oc2ccc(N)cc2; c2(Oc1ccc(c c1)N)c(C(OC)=O)cccc2; COC(=O)c1ccccc1Oc2 ccc(cc2)N |
methyl 2-(4-aminophenoxy)benzoate |
| 29653 | JFW | 4 | C17 H16 N4 O S2 | InChI=1S/C17H16N4OS2/c1-9 -6-18-13(10(2)15(9)22-3)7 -23-17-20-11-4-5-12-16(14 (11)21-17)24-8-19-12/h4-6 ,8H,7H2,1-3H3,(H,20,21); LPMHHSWQQOYDFY-UHFFFAOYSA-N |
COc1c(C)cnc(CSc2[nH]c3c4scnc4ccc3n2)c1C; Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncsc3c2[NH]1 ; Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3s cn4 |
7-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole |
| 29654 | JFX CHEMBL5181555 |
1 | C12 H16 F N3 O2 S | InChI=1S/C12H16FN3O2S/c1- 9-11-8-10(4-5-12(11)15-14 -9)16-19(17,18)7-3-2-6-13 /h4-5,8,16H,2-3,6-7H2,1H3 ,(H,14,15); AHVAAGWAEHSRBU-UHFFFAOYSA-N |
Cc1n[nH]c2ccc(N[S](=O)(=O)CCCCF)cc12; Cc 1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF; Cc2c1c (ccc(c1)NS(CCCCF)(=O)=O)nn2 |
4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide |
| 29655 | JFY ZINC000000029515 |
1 | C11 H17 N O2 S | InChI=1S/C11H17NO2S/c1-4- 9(2)10-5-7-11(8-6-10)12-1 5(3,13)14/h5-9,12H,4H2,1- 3H3/t9-/m0/s1; VJWRIEFAIWFTHG-VIFPVBQESA-N |
CC[CH](C)c1ccc(N[S](C)(=O)=O)cc1; c1c(C( CC)C)ccc(c1)NS(C)(=O)=O; CCC(C)c1ccc(cc1 )NS(=O)(=O)C; CC[C@H](C)c1ccc(N[S](C)(=O )=O)cc1; CC[C@H](C)c1ccc(cc1)NS(=O)(=O)C |
N-{4-[(2S)-butan-2-yl]phenyl}methanesulfonamide |
| 29656 | JFZ CHEMBL4877910 ZINC000005752331 |
18 | C12 H15 N O7 | InChI=1S/C12H15NO7/c1-6-9 (14)10(15)11(16)12(19-6)2 0-8-4-2-7(3-5-8)13(17)18/ h2-6,9-12,14-16H,1H3/t6-, 9+,10+,11-,12-/m0/s1; YILIDCGSXCGACV-SQKFTNEHSA-N |
CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O) O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1 )Oc2ccc(cc2)[N+](=O)[O-])O)O)O; C[CH]1O[ CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH]( O)[CH]1O; C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+ ]([O-])=O)[C@@H](O)[C@H](O)[C@@H]1O |
4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside; 4-nitrophenyl-alpha-L-fucose; 4-nitrophenyl 6-deoxy-alpha-L-galactoside; 4-nitrophenyl 6-deoxy-L-galactoside; 4-nitrophenyl 6-deoxy-galactoside |
| 29657 | JG0 | 2 | C29 H48 N12 O5 | InChI=1S/C29H48N12O5/c30- 11-3-1-8-20-25(44)35-12-4 -2-9-21(41-29(33)34)26(45 )38-17-24(43)37-16-19-7-5 -6-18(14-19)15-23(42)39-2 2(27(46)40-20)10-13-36-28 (31)32/h5-7,14,20-22H,1-4 ,8-13,15-17,30H2,(H,35,44 )(H,37,43)(H,38,45)(H,39, 42)(H,40,46)(H4,31,32,36) (H4,33,34,41)/t20-,21+,22 -/m0/s1; BLTNNRHGYHMJIZ-BDTNDASRSA-N |
c1cc2cc(c1)CNC(=O)CNC(=O)C(CCCCNC(=O)C(N C(=O)C(NC(=O)C2)CCNC(=N)N)CCCCN)NC(=N)N; NCCCC[CH]1NC(=O)[CH](CCNC(N)=N)NC(=O)Cc 2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N) =N)c2; [H]/N=C(/N)\NCC[C@H]1C(=O)N[C@H]( C(=O)NCCCC[C@H](C(=O)NCC(=O)NCc2cccc(c2) CC(=O)N1)N/C(=N/[H])/N)CCCCN; NCCCC[C@@H ]1NC(=O)[C@H](CCNC(N)=N)NC(=O)Cc2cccc(CN C(=O)CNC(=O)[C@@H](CCCCNC1=O)NC(N)=N)c2 |
1-[(8R,15S,18S)-15-(4-azanylbutyl)-18-(2-carbamimidamidoethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine |
| 29658 | JG1 CHEMBL178398 ZINC000028130119 |
2 | C20 H21 N3 O2 | InChI=1S/C20H21N3O2/c24-1 8(14-7-2-1-4-10-16-11-5-3 -6-12-16)20-23-22-19(25-2 0)17-13-8-9-15-21-17/h3,5 -6,8-9,11-13,15H,1-2,4,7, 10,14H2; BYQFWIOGPFHXFV-UHFFFAOYSA-N |
c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3; O=C(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3; O= C(c1nnc(o1)c2ncccc2)CCCCCCc3ccccc3 |
7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one |
| 29659 | JG2 ZINC000098209045 |
2 | C20 H23 N3 O3 | InChI=1S/C20H23N3O3/c24-2 0(25,14-8-2-1-4-10-16-11- 5-3-6-12-16)19-23-22-18(2 6-19)17-13-7-9-15-21-17/h 3,5-7,9,11-13,15,24-25H,1 -2,4,8,10,14H2; KSJFCWCEVWDLIS-UHFFFAOYSA-N |
OC(O)(CCCCCCc1ccccc1)c2oc(nn2)c3ccccn3; c1ccc(cc1)CCCCCCC(c2nnc(o2)c3ccccn3)(O)O ; n3c(c1nnc(o1)C(O)(O)CCCCCCc2ccccc2)ccc c3 |
7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptane-1,1-diol; 7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one, bound form |
| 29660 | JG3 ZINC000098209046 |
0 | C15 H22 N2 O3 | InChI=1S/C15H22N2O3/c16-1 2(9-11-5-2-1-3-6-11)14(18 )10-17-8-4-7-13(17)15(19) 20/h1-3,5-6,12-14,18H,4,7 -10,16H2,(H,19,20)/t12-,1 3-,14-/m0/s1; NKKTYSQFSAXDJG-IHRRRGAJSA-N |
N[C@@H](Cc1ccccc1)[C@@H](O)CN2CCC[C@H]2C (O)=O; N[CH](Cc1ccccc1)[CH](O)CN2CCC[CH] 2C(O)=O; O=C(O)C2N(CC(O)C(N)Cc1ccccc1)CC C2; c1ccc(cc1)CC(C(CN2CCCC2C(=O)O)O)N; c 1ccc(cc1)C[C@@H]([C@H](C[N@]2CCC[C@H]2C( =O)O)O)N |
1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]-L-proline |
| 29661 | JG4 ZINC000000389924 |
5 | C7 H6 N2 S | InChI=1S/C7H6N2S/c1-2-6(1 0-5-1)7-8-3-4-9-7/h1-5H,( H,8,9); UZLSJAUHCCPJMC-UHFFFAOYSA-N |
c2cc(c1nccn1)sc2; c1cc(sc1)c2[nH]ccn2; [ nH]1ccnc1c2sccc2 |
2-(thiophen-2-yl)-1H-imidazole |
| 29662 | JG5 | 2 | C51 H89 N11 O19 S | InChI=1S/C51H89N11O19S/c1 -38(63)52-26-16-15-18-39( 49(70)71)56-47(68)36-80-3 3-32-79-30-28-54-44(65)24 -22-40(50(72)73)55-45(66) 25-23-41(51(74)75)57-48(6 9)37-81-34-31-78-29-27-53 -43(64)21-17-35-82(76,77) 60-46(67)20-14-12-10-8-6- 4-2-3-5-7-9-11-13-19-42-5 8-61-62-59-42/h39-41H,2-3 7H2,1H3,(H,52,63)(H,53,64 )(H,54,65)(H,55,66)(H,56, 68)(H,57,69)(H,60,67)(H,7 0,71)(H,72,73)(H,74,75)(H ,58,59,61,62)/t39-,40+,41 -/m0/s1; FKEQBELVDINLPJ-HMVVSKLPSA-N |
CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC (=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O )NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CC CCCCCCCCCCCCCc1n[nH]nn1; CC(=O)NCCCC[CH] (NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH]( NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)C CCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C (O)=O; CC(=O)NCCCCC(C(=O)O)NC(=O)COCCOCC NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O) COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCC CCCCCCc1n[nH]nn1; CC(=O)NCCCC[C@H](NC(=O )COCCOCCNC(=O)CC[C@@H](NC(=O)CC[C@H](NC( =O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCC CCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O) =O |
Somapacitan; (2S)-6-acetamido-2-[[2-[2-[2-[[4-carboxy-4-[[(4S)-4-carboxy-4-[[2-[2-[2-[4-[16-(1H-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]acetyl]amino]butanoyl]amino]butanoyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid |
| 29663 | JG6 CHEMBL5563998 |
4 | C13 H19 N6 O6 P | InChI=1S/C13H19N6O6P/c14- 13-16-11-10(12(22)17-13)1 5-6-19(11)7-3-8(5-20)18(4 -7)9(21)1-2-26(23,24)25/h 6-8,20H,1-5H2,(H2,23,24,2 5)(H3,14,16,17,22)/t7-,8+ /m1/s1; BDQWSUFOTXTHGI-SFYZADRCSA-N |
NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](CO)N(C3) C(=O)CC[P](O)(O)=O; O=C(CCP(=O)(O)O)N1CC (CC1CO)n1cnc2c1N=C(N)NC2=O; c1nc2c(n1C3C C(N(C3)C(=O)CCP(=O)(O)O)CO)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3C[C@@H](CO)N (C3)C(=O)CC[P](O)(O)=O; c1nc2c(n1[C@@H]3 C[C@H](N(C3)C(=O)CCP(=O)(O)O)CO)N=C(NC2= O)N |
{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid |
| 29664 | JG7 | 2 | C26 H33 Cl F3 N5 O4 S | InChI=1S/C26H33ClF3N5O4S/ c1-2-33-9-11-34(12-10-33) 17-3-4-21(19(27)13-17)40( 38,39)18-14-20(22(36)32-2 4(16-31)5-6-24)35(15-18)2 3(37)25(7-8-25)26(28,29)3 0/h3-4,13,16,18,20,31H,2, 5-12,14-15H2,1H3,(H,32,36 )/b31-16+/t18-,20+/m1/s1; XSYZXEOMVXQXMI-DJQPUNJJSA-N |
CCN1CCN(CC1)c2ccc(c(Cl)c2)[S](=O)(=O)[CH ]3C[CH](N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)N C5(CC5)C=N; CCN1CCN(CC1)c2ccc(c(c2)Cl)S( =O)(=O)C3CC(N(C3)C(=O)C4(CC4)C(F)(F)F)C( =O)NC5(CC5)C=N; [H]/N=C/C1(CC1)NC(=O)[C@ @H]2C[C@H](CN2C(=O)C3(CC3)C(F)(F)F)S(=O) (=O)c4ccc(cc4Cl)N5CCN(CC5)CC; CCN1CCN(CC 1)c2ccc(c(Cl)c2)[S](=O)(=O)[C@@H]3C[C@H] (N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5) C=N; FC(F)(F)C5(C(=O)N2C(C(=O)NC1(C=[N@H ])CC1)CC(C2)S(=O)(=O)c4ccc(N3CCN(CC)CC3) cc4Cl)CC5 |
(2S,4R)-4-[2-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(trifluoromethyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide |
| 29665 | JG8 CHEMBL1491070 ZINC000008578948 |
6 | C10 H6 N2 O2 | InChI=1S/C10H6N2O2/c13-10 -9-8(11-5-12-10)6-3-1-2-4 -7(6)14-9/h1-5H,(H,11,12, 13); PCCWPSFTRGJXEF-UHFFFAOYSA-N |
c1ccc2c(c1)c3c(o2)C(=O)NC=N3; O=C1NC=Nc2 c1oc3ccccc23 |
BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE |
| 29666 | JG9 | 4 | C22 H24 N4 | InChI=1S/C22H24N4/c1-15-1 6(2)26-17(3)18(11-13-22(2 6)23-15)10-12-21-24-20(14 -25(21)4)19-8-6-5-7-9-19/ h5-9,11,13-14H,10,12H2,1- 4H3; RVLJIWHZBHOJLA-UHFFFAOYSA-N |
Cn1cc(nc1CCc2ccc3nc(C)c(C)n3c2C)c4ccccc4 ; Cc1c(n2c(c(ccc2n1)CCc3nc(cn3C)c4ccccc4 )C)C; Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1 ccccc1 |
(4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine |
| 29667 | JGA ZINC000001452383 |
11 | C7 H11 N3 O2 | InChI=1S/C7H11N3O2/c1-3-8 -7(11)9-6-4-5(2)12-10-6/h 4H,3H2,1-2H3,(H2,8,9,10,1 1); OLTOJZGRSVNYRB-UHFFFAOYSA-N |
CCNC(=O)Nc1cc(on1)C; CCNC(=O)Nc1noc(c1)C ; CCNC(=O)Nc1cc(C)on1 |
N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea |
| 29668 | JGB CHEMBL296407 ZINC000000015333 |
1 | C10 H8 N2 O3 | InChI=1S/C10H8N2O3/c11-5- 7(10(12)15)3-6-1-2-8(13)9 (14)4-6/h1-4,13-14H,(H2,1 2,15)/b7-3+; USOXQZNJFMKTKJ-XVNBXDOJSA-N |
NC(=O)/C(=C/c1ccc(O)c(O)c1)C#N; NC(=O)C( =Cc1ccc(O)c(O)c1)C#N; c1cc(c(cc1C=C(C#N) C(=O)N)O)O; c1cc(c(cc1/C=C(\C#N)/C(=O)N) O)O |
(~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide |
| 29669 | JGC | 5 | C17 H23 N4 O9 P | InChI=1S/C17H23N4O9P/c1-7 -3-9-10(4-8(7)2)21(15-13( 18-9)16(25)20-17(26)19-15 )5-11(22)14(24)12(23)6-30 -31(27,28)29/h3-4,11-14,1 8,22-24H,5-6H2,1-2H3,(H,2 0,25,26)(H2,27,28,29)/t11 -,12+,13+,14-/m0/s1; JNFNEOXSUODPSY-DGAVXFQQSA-N |
Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2)CC(C( C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C)N(C3=N C(=O)NC(=O)[C@@H]3N2)C[C@@H]([C@@H]([C@@ H](COP(=O)(O)O)O)O)O; Cc1cc2N[CH]3C(=O)N C(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O )(O)=O)c2cc1C; Cc1cc2N[C@H]3C(=O)NC(=O)N =C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O )=O)c2cc1C |
Flavin mononucleotide (semi-quinone intermediate); [(2R,3S,4S)-5-[(4aR)-7,8-dimethyl-2,4-bis(oxidanylidene)-4a,5-dihydrobenzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
| 29670 | JGD CHEMBL3561645 ZINC000019075763 |
4 | C7 H10 N2 | InChI=1S/C7H10N2/c1-9(2)7 -3-5-8-6-4-7/h3-6H,1-2H3; VHYFNPMBLIVWCW-UHFFFAOYSA-N |
CN(C)c1ccncc1; CN(c1ccncc1)C | N,N-dimethylpyridin-4-amine |
| 29671 | JGE CHEMBL372052 ZINC000000002272 |
3 | C16 H14 O3 | InChI=1S/C16H14O3/c1-11(1 6(18)19)13-8-5-9-14(10-13 )15(17)12-6-3-2-4-7-12/h2 -11H,1H3,(H,18,19)/t11-/m 1/s1; DKYWVDODHFEZIM-LLVKDONJSA-N |
C[C@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O; C [CH](C(O)=O)c1cccc(c1)C(=O)c2ccccc2; CC( c1cccc(c1)C(=O)c2ccccc2)C(=O)O; C[C@@H]( C(O)=O)c1cccc(c1)C(=O)c2ccccc2 |
(R)-Ketoprofen |
| 29672 | JGF CHEMBL5173301 |
1 | C29 H26 F2 N4 O5 S | InChI=1S/C29H26F2N4O5S/c1 -3-41(37,38)34-18-8-10-24 (39-25-9-7-17(30)11-22(25 )31)19(12-18)21-15-35(2)2 9(36)20-13-26(40-27(20)21 )23-14-32-28(33-23)16-5-4 -6-16/h7-16,34H,3-6H2,1-2 H3,(H,32,33); JYMKZGYVLHFTMM-UHFFFAOYSA-N |
CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C 3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6 ; CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2 oc(c3)c4cnc([nH]4)C5CCC5)C)Oc6ccc(cc6F)F |
~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
| 29673 | JGG CHEMBL1341300 ZINC000000158077 |
8 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c14-9 -11-1-3-12(4-2-11)10-15-1 3(17)16-5-7-18-8-6-16/h1- 4H,5-8,10H2,(H,15,17); ZXWAHHRBFVCEAR-UHFFFAOYSA-N |
C2CN(C(NCc1ccc(C#N)cc1)=O)CCO2; O=C(NCc1 ccc(cc1)C#N)N2CCOCC2; c1cc(ccc1CNC(=O)N2 CCOCC2)C#N |
N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide |
| 29674 | JGH | 2 | Ce H2 O78 P2 W22 | InChI=1S/Ce.2HO4P.22H2O.4 8O.22W/c;2*1-5(2,3)4;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;/h;2*5H;22*1H 2;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;/q;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;;;;; ;;;;;;;;;;;;;;;;;;;;;22*+ 1/p-22; HKCWKIBJPUVJDO-UHFFFAOYSA-A |
[O][W]1234O[Ce]56789(O[W]%10%11(O1)(O2P1 2O%12%13[W]%14%15(O5)(O[W]5%16(O6)(O11[W ]6(O%10)(O5)(O[W]5%10(O%11)(O22[W]%11(O3 )(O5)(O[W]%12(O4)(O%14)(O[W]%133(O%15)(O [W]1(O%16)(O6)(O[W]2(O%11)(O%10)(O3)[O]) [O])[O])[O])[O])[O])[O])[O])[O])[O])O[W] 123(O[W]45(O7)(O1P16O7%10[W]%11%12(O8)(O [W]8%13(O9)(O11[W]9(O4)(O8)(O[W]48(O5)(O 65[W]6(O2)(O4)(O[W]7(O3)(O%11)(O[W]%102( O%12)(O[W]1(O%13)(O9)(O[W]5(O6)(O8)(O2)[ O])[O])[O])[O])[O])[O])[O])[O])[O])[O])[ O]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O. O.O.O.O.O1[PH]23[O]45[W]678O[W]9%10O[W]1 %11%12O[W]4%13(O6)O[W]%14%15(O%11)O[W]%1 6%17%18O[W]5(O7)(O%13)O[W]%19%20(O[W]%21 (O9)(O8)O[W]%22(O%19)(O[W](O%14)(O%16)(O [Ce]%23%24%25(O%10)(O[W]%26%27O[W]%28%29 (O[PH]%30%31[O]%32%33[W]%34%35(O%26)O[W] %36%37(O%27)O[W]%38%39%40O[W]%32%41(O%34 )O[W]%33(O%28)(O%35)O[W]%42%43(O%29)O[W] %44(O%41)(O%38)O[W](O%42)(O[W](O%36)(O%3 9)(O%23)[O]%30%37%40)(O%24)[O]%31%43%44) O%25)(O%12)O%22)[O]2%15%17)[O]3%20%21)O% 18 |
1:2 Ce-substituted Keggin |
| 29675 | JGI | 4 | C22 H21 N5 O3 | InChI=1S/C22H21N5O3/c1-26 -19(18(14-23-26)22(30)27- 11-6-12-27)21(29)25-17-10 -5-7-15(13-17)20(28)24-16 -8-3-2-4-9-16/h2-5,7-10,1 3-14H,6,11-12H2,1H3,(H,24 ,28)(H,25,29); ORIOARJXMHWHKG-UHFFFAOYSA-N |
Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cccc(c3)C(= O)Nc4ccccc4; O=C(c1cnn(C)c1C(=O)Nc1cc(cc c1)C(=O)Nc1ccccc1)N1CCC1; Cn1c(c(cn1)C(= O)N2CCC2)C(=O)Nc3cccc(c3)C(=O)Nc4ccccc4 |
4-(azetidine-1-carbonyl)-1-methyl-N-[3-(phenylcarbamoyl)phenyl]-1H-pyrazole-5-carboxamide |
| 29676 | JGJ ZINC000000361814 |
3 | C11 H15 N O2 | InChI=1S/C11H15NO2/c1-9(1 2-11(13)8-14-2)10-6-4-3-5 -7-10/h3-7,9H,8H2,1-2H3,( H,12,13)/t9-/m1/s1; LJEDIKNIRTZHGK-SECBINFHSA-N |
C[C@H](c1ccccc1)NC(=O)COC; COCC(=O)N[C@H ](C)c1ccccc1; C(NC(C)c1ccccc1)(=O)COC; C C(c1ccccc1)NC(=O)COC; COCC(=O)N[CH](C)c1 ccccc1 |
2-methoxy-N-[(1R)-1-phenylethyl]acetamide |
| 29677 | JGK | 5 | C25 H23 N3 O5 | InChI=1S/C25H23N3O5/c1-4- 31-21-8-7-16(14(2)29)13-2 0(21)17-10-18(23-15(3)33- 28-24(23)26)12-19(11-17)2 7-25(30)22-6-5-9-32-22/h5 -13H,4H2,1-3H3,(H2,26,28) (H,27,30); QBKCNTCHKRMYPR-UHFFFAOYSA-N |
CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c (C)onc4N)C(C)=O; CCOc1ccc(cc1c2cc(cc(c2) NC(=O)c3ccco3)c4c(onc4N)C)C(=O)C |
~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide |
| 29678 | JGL CHEMBL5209398 |
2 | C25 H20 F2 N4 O5 S | InChI=1S/C25H20F2N4O5S/c1 -3-37(33,34)30-15-5-7-21( 35-22-6-4-14(26)8-19(22)2 7)16(9-15)18-12-31(2)25(3 2)17-10-23(36-24(17)18)20 -11-28-13-29-20/h4-13,30H ,3H2,1-2H3,(H,28,29); BWALAYQEQUFOGH-UHFFFAOYSA-N |
CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C 3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5; CCS(=O )(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4 cnc[nH]4)C)Oc5ccc(cc5F)F |
~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
| 29679 | JGM ZINC000000394739 |
2 | C11 H15 N3 O3 | InChI=1S/C11H15N3O3/c1-7( 15)13-10(11(17)14-12)6-8- 2-4-9(16)5-3-8/h2-5,10,16 H,6,12H2,1H3,(H,13,15)(H, 14,17)/t10-/m0/s1; CRZZRSWETKBGET-JTQLQIEISA-N |
CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN; CC(= O)N[CH](Cc1ccc(O)cc1)C(=O)NN; CC(=O)N[C@ @H](Cc1ccc(O)cc1)C(=O)NN; c1(ccc(CC(NC(C )=O)C(=O)NN)cc1)O; CC(=O)NC(Cc1ccc(cc1)O )C(=O)NN |
{N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide |
| 29680 | JGN CHEMBL4634827 |
2 | C18 H26 N2 O2 | InChI=1S/C18H26N2O2/c1-12 -8-13(2)18-16(4-6-19-18)1 7(12)10-20-7-5-15(22-3)9- 14(20)11-21/h4,6,8,14-15, 19,21H,5,7,9-11H2,1-3H3/t 14-,15-/m0/s1; MBNDMTBONUNJAQ-GJZGRUSLSA-N |
Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[ nH]2)C; CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc 23)[CH](CO)C1; Cc1cc(c2c(c1CN3CCC(CC3CO) OC)cc[nH]2)C; CO[C@H]1CCN(Cc2c(C)cc(C)c3 [nH]ccc23)[C@H](CO)C1 |
[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol |
| 29681 | JGO ZINC000034277791 |
0 | C7 H15 N3 O3 | InChI=1S/C7H15N3O3/c8-4(6 (10)11)2-1-3-5(9)7(12)13/ h4-5H,1-3,8-9H2,(H2,10,11 )(H,12,13)/t4-,5+/m1/s1; FNJZWXAALSPDGJ-UHNVWZDZSA-N |
C(CC(C(=O)N)N)CC(C(=O)O)N; N[C@H](CCC[C@ H](N)C(O)=O)C(N)=O; C(C[C@H](C(=O)N)N)C[ C@@H](C(=O)O)N; N[CH](CCC[CH](N)C(O)=O)C (N)=O |
meso-2,6-diaminopimelic acid NH2; (2S,6R)-2,6,7-tris(azanyl)-7-oxidanylidene-heptanoic acid; (2S,6R)-2,6,7-triamino-7-oxoheptanoic acid |
| 29682 | JGP CHEMBL2203921 ZINC000000035394 |
5 | C14 H17 N O3 | InChI=1S/C14H17NO3/c16-14 (15-7-3-1-2-4-8-15)11-5-6 -12-13(9-11)18-10-17-12/h 5-6,9H,1-4,7-8,10H2; ABPXISKFLMGPJG-UHFFFAOYSA-N |
C1N(CCCCC1)C(c3ccc2OCOc2c3)=O; O=C(N1CCC CCC1)c2ccc3OCOc3c2; c1cc2c(cc1C(=O)N3CCC CCC3)OCO2 |
(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone |
| 29683 | JGQ CHEMBL4594448 DB16200 ZINC000223246892 |
2 | C25 H30 N2 O4 | InChI=1S/C25H30N2O4/c1-4- 31-19-10-12-27(22(14-19)1 7-5-7-18(8-6-17)25(28)29) 15-21-20-9-11-26-24(20)16 (2)13-23(21)30-3/h5-9,11, 13,19,22,26H,4,10,12,14-1 5H2,1-3H3,(H,28,29)/t19-, 22-/m0/s1; RENRQMCACQEWFC-UGKGYDQZSA-N |
CCO[CH]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[CH ](C1)c4ccc(cc4)C(O)=O; CCOC1CCN(C(C1)c2c cc(cc2)C(=O)O)Cc3c4cc[nH]c4c(cc3OC)C; CC O[C@H]1CCN([C@@H](C1)c2ccc(cc2)C(=O)O)Cc 3c4cc[nH]c4c(cc3OC)C; CCO[C@H]1CCN(Cc2c( OC)cc(C)c3[nH]ccc23)[C@@H](C1)c4ccc(cc4) C(O)=O |
4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid |
| 29684 | JGR CHEMBL5176176 |
6 | C34 H35 F N2 O7 S | InChI=1S/C34H35FN2O7S/c1- 7-45(40,41)36-25-8-9-29(4 3-32-21(4)14-24(35)15-22( 32)5)26(16-25)28-18-37(6) 34(39)27-17-30(44-33(27)2 8)23-12-19(2)31(20(3)13-2 3)42-11-10-38/h8-9,12-18, 36,38H,7,10-11H2,1-6H3; FMOLFXOGJCZPJG-UHFFFAOYSA-N |
CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc (c3)c4cc(c(c(c4)C)OCCO)C)C)Oc5c(cc(cc5C) F)C; CC[S](=O)(=O)Nc1ccc(Oc2c(C)cc(F)cc2 C)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5cc(C)c(O CCO)c(C)c5 |
~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide |
| 29685 | JGS ZINC000000151365 |
2 | C11 H8 N2 O4 | InChI=1S/C11H8N2O4/c14-10 (9-4-5-12-17-9)13-8-3-1-2 -7(6-8)11(15)16/h1-6H,(H, 13,14)(H,15,16); QBMMJAQLERTXMD-UHFFFAOYSA-N |
c1cc(cc(c1)NC(=O)c2ccno2)C(=O)O; OC(=O)c 1cccc(NC(=O)c2oncc2)c1; c1(oncc1)C(Nc2cc (C(O)=O)ccc2)=O |
3-[(1,2-oxazole-5-carbonyl)amino]benzoic acid |
| 29686 | JGT CHEMBL4636550 |
3 | C14 H14 Br N3 | InChI=1S/C14H14BrN3/c1-9- 8-12(15)13(18-14-16-6-7-1 7-14)11-5-3-2-4-10(9)11/h 2-5,8H,6-7H2,1H3,(H2,16,1 7,18); UYAOIRISFNRFCT-UHFFFAOYSA-N |
Cc1cc(Br)c(NC2=NCCN2)c3ccccc13; Cc1cc(c( c2c1cccc2)NC3=NCCN3)Br |
~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine |
| 29687 | JGU CHEMBL5177436 |
2 | C33 H31 F2 N O6 | InChI=1S/C33H31F2NO6/c1-1 8-12-20(13-19(2)30(18)40- 11-10-37)29-16-24-31(42-2 9)25(17-36(5)32(24)38)23- 14-21(33(3,4)39)6-8-27(23 )41-28-9-7-22(34)15-26(28 )35/h6-9,12-17,37,39H,10- 11H2,1-5H3; MCDGNYQOWDNEJL-UHFFFAOYSA-N |
CN1C=C(c2oc(cc2C1=O)c3cc(C)c(OCCO)c(C)c3 )c4cc(ccc4Oc5ccc(F)cc5F)C(C)(C)O; Cc1cc( cc(c1OCCO)C)c2cc3c(o2)C(=CN(C3=O)C)c4cc( ccc4Oc5ccc(cc5F)F)C(C)(C)O |
7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one |
| 29688 | JGV | 1 | C11 H13 N3 O2 S | InChI=1S/C11H13N3O2S/c15- 11(14-3-5-16-6-4-14)8-1-2 -10-9(7-8)12-13-17-10/h1- 2,7,12-13H,3-6H2; GVBDJDHROSBCGM-UHFFFAOYSA-N |
c1cc2c(cc1C(=O)N3CCOCC3)NNS2; O=C(N1CCOC C1)c2ccc3SNNc3c2; C3N(C(c1ccc2c(c1)NNS2) =O)CCOC3 |
(2,3-dihydro-1,2,3-benzothiadiazol-5-yl)(morpholin-4-yl)methanone |
| 29689 | JGW | 1 | C24 H18 F3 N O2 | InChI=1S/C24H18F3NO2/c1-1 5-22(23(29)20-4-2-3-5-21( 20)28-15)18-10-6-16(7-11- 18)14-17-8-12-19(13-9-17) 30-24(25,26)27/h2-13,22H, 14H2,1H3/t22-/m0/s1; GICIDYUDUAQJFR-QFIPXVFZSA-N |
CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F )(F)F)cc4)cc3; CC1=Nc2ccccc2C(=O)[C@@H]1 c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3; CC1=Nc2c cccc2C(=O)C1c3ccc(cc3)Cc4ccc(cc4)OC(F)(F )F |
2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one |
| 29690 | JGX CHEMBL836 DB00706 ZINC000001530694 |
3 | C20 H28 N2 O5 S | InChI=1S/C20H28N2O5S/c1-4 -26-17-7-5-6-8-18(17)27-1 2-11-22-15(2)13-16-9-10-1 9(25-3)20(14-16)28(21,23) 24/h5-10,14-15,22H,4,11-1 3H2,1-3H3,(H2,21,23,24)/t 15-/m1/s1; DRHKJLXJIQTDTD-OAHLLOKOSA-N |
CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)S(=O)(=O) N)OC; CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2 )S(=O)(=O)N)OC; CCOc1ccccc1OCCN[C@H](C)C c2ccc(OC)c(c2)[S](N)(=O)=O; CCOc1ccccc1O CCN[CH](C)Cc2ccc(OC)c(c2)[S](N)(=O)=O |
Tamsulosin |
| 29691 | JGY CHEMBL4975751 ZINC000001001271 |
8 | C10 H15 N3 O2 | InChI=1S/C10H15N3O2/c1-13 -5-4-9(12-13)10(14)11-7-8 -3-2-6-15-8/h4-5,8H,2-3,6 -7H2,1H3,(H,11,14)/t8-/m0 /s1; WBAZBPMBDLSPCX-QMMMGPOBSA-N |
Cn1ccc(n1)C(=O)NCC2CCCO2; Cn1ccc(n1)C(=O )NC[CH]2CCCO2; Cn1ccc(n1)C(=O)NC[C@@H]2C CCO2; C(C1CCCO1)NC(c2ccn(C)n2)=O |
1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide |
| 29692 | JGZ CHEMBL1233738 ZINC000058660934 |
1 | C24 H26 N6 O3 S | InChI=1S/C24H26N6O3S/c1-1 6-13-18(15-25)14-17(2)23( 16)33-22-7-10-27-24(29-22 )28-19-8-11-30(12-9-19)20 -3-5-21(6-4-20)34(26,31)3 2/h3-7,10,13-14,19H,8-9,1 1-12H2,1-2H3,(H2,26,31,32 )(H,27,28,29); GZMNOTZGPCNHSP-UHFFFAOYSA-N |
Cc1cc(cc(c1Oc2ccnc(n2)NC3CCN(CC3)c4ccc(c c4)S(=O)(=O)N)C)C#N; Cc1cc(cc(C)c1Oc2ccn c(NC3CCN(CC3)c4ccc(cc4)[S](N)(=O)=O)n2)C #N; N#Cc4cc(c(Oc1nc(ncc1)NC3CCN(c2ccc(cc 2)S(=O)(=O)N)CC3)c(c4)C)C |
4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide |
| 29693 | JH0 | 2 | C58 H85 N5 O10 Si | InChI=1S/C58H85N5O10Si/c1 -6-7-8-9-10-11-12-13-14-1 5-16-17-24-39-53(66)62(70 )40-29-27-37-49(60-54(67) 50-43-71-55(61-50)47-35-2 5-26-38-51(47)64)57(69)72 -44(2)42-52(65)59-48-36-2 8-30-41-63(56(48)68)73-74 (58(3,4)5,45-31-20-18-21- 32-45)46-33-22-19-23-34-4 6/h18-23,25-26,31-35,38,4 4,48-50,64,70H,6-17,24,27 -30,36-37,39-43H2,1-5H3,( H,59,65)(H,60,67)/t44-,48 +,49+,50-/m1/s1; MGCJGTIHSOOPSW-SFNGQXEQSA-N |
O=C(NC(C(=O)OC(CC(=O)NC3C(=O)N(O[Si](c1c cccc1)(c2ccccc2)C(C)(C)C)CCCC3)C)CCCCN(O )C(=O)CCCCCCCCCCCCCCC)C4N=C(OC4)c5c(O)cc cc5; CCCCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC (C)CC(=O)NC1CCCCN(C1=O)O[Si](c2ccccc2)(c 3ccccc3)C(C)(C)C)NC(=O)C4COC(=N4)c5ccccc 5O)O; CCCCCCCCCCCCCCCC(=O)N(CCCC[C@@H](C (=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(C1=O)O[S i](c2ccccc2)(c3ccccc3)C(C)(C)C)NC(=O)[C@ H]4COC(=N4)c5ccccc5O)O; CCCCCCCCCCCCCCCC (=O)N(O)CCCC[CH](NC(=O)[CH]1COC(=N1)c2cc ccc2O)C(=O)O[CH](C)CC(=O)N[CH]3CCCCN(O[S i](c4ccccc4)(c5ccccc5)C(C)(C)C)C3=O; CCC CCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@ H]1COC(=N1)c2ccccc2O)C(=O)O[C@H](C)CC(=O )N[C@H]3CCCCN(O[Si](c4ccccc4)(c5ccccc5)C (C)(C)C)C3=O |
|
| 29694 | JH1 ZINC000001002703 |
7 | C13 H14 F N3 O | InChI=1S/C13H14FN3O/c1-2- 17-9-11(8-16-17)13(18)15- 7-10-3-5-12(14)6-4-10/h3- 6,8-9H,2,7H2,1H3,(H,15,18 ); JRTRCSIVSIKKCQ-UHFFFAOYSA-N |
CCn1cc(cn1)C(=O)NCc2ccc(cc2)F; c1c(ccc(F )c1)CNC(c2cn(CC)nc2)=O; CCn1cc(cn1)C(=O) NCc2ccc(F)cc2 |
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide |
| 29695 | JH2 | 2 | C17 H28 O3 | InChI=1S/C17H28O3/c1-6-17 (4)15(20-17)11-10-13(2)8- 7-9-14(3)12-16(18)19-5/h8 ,12,15H,6-7,9-11H2,1-5H3/ b13-8+,14-12+/t15-,17+/m1 /s1; CPVQJXZBSGXTGJ-TZDLBHCHSA-N |
CC[C]1(C)O[CH]1CCC(C)=CCCC(C)=CC(=O)OC; CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC )/C)/C)C; O=C(OC)\C=C(/C)CC\C=C(/C)CCC1O C1(CC)C; CC[C@]1(C)O[C@@H]1CC/C(C)=C/CC/ C(C)=C/C(=O)OC; CCC1(C(O1)CCC(=CCCC(=CC( =O)OC)C)C)C |
methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate; JH II, Juvenile hormone II |
| 29696 | JH3 ZINC000013536517 |
4 | C16 H26 O3 | InChI=1S/C16H26O3/c1-12(9 -10-14-16(3,4)19-14)7-6-8 -13(2)11-15(17)18-5/h7,11 ,14H,6,8-10H2,1-5H3/b12-7 +,13-11+/t14-/m1/s1; QVJMXSGZTCGLHZ-HONBPKQLSA-N |
C/C(=C\CC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1 )(C)C; CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C) C; O=C(OC)\C=C(\CC/C=C(/CCC1OC1(C)C)C)C; COC(=O)C=C(C)CCC=C(C)CC[CH]1OC1(C)C; CO C(=O)\C=C(/C)CC\C=C(/C)CC[C@H]1OC1(C)C |
methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate; JH III; juvenile hormone III |
| 29697 | JH4 ZINC000000330858 |
3 | C5 H7 N3 | InChI=1S/C5H7N3/c1-6-5-7- 3-2-4-8-5/h2-4H,1H3,(H,6, 7,8); BQNXHDSGGRTFNX-UHFFFAOYSA-N |
CNc1ncccn1 | N-methylpyrimidin-2-amine |
| 29698 | JH5 ZINC000000242786 |
3 | C16 H17 N4 | InChI=1S/C16H17N4/c1-3-7- 15(8-4-1)11-17-20-13-18-1 9(14-20)12-16-9-5-2-6-10- 16/h1-10,13-14,17H,11-12H 2/q+1; FPCLJFAEMFICTP-UHFFFAOYSA-N |
n1c[n+](cn1Cc2ccccc2)NCc3ccccc3; C(N[n+] 1cnn(Cc2ccccc2)c1)c3ccccc3; c1ccc(cc1)CN [n+]2cnn(c2)Cc3ccccc3 |
1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium |
| 29699 | JH6 | 4 | C19 H15 N5 | InChI=1S/C19H15N5/c1-13-5 -2-8-17(23-13)24-19-18-15 (7-4-10-21-18)16(12-22-19 )14-6-3-9-20-11-14/h2-12H ,1H3,(H,22,23,24); PTTACYKBFLIGQP-UHFFFAOYSA-N |
Cc1cccc(n1)Nc1ncc(c2cccnc21)c1cccnc1; Cc 1cccc(n1)Nc2c3c(cccn3)c(cn2)c4cccnc4; Cc 1cccc(Nc2ncc(c3cccnc3)c4cccnc24)n1 |
N-(6-methylpyridin-2-yl)-5-(pyridin-3-yl)-1,7-naphthyridin-8-amine |
| 29700 | JH7 ZINC000000164499 |
5 | C10 H11 N3 O | InChI=1S/C10H11N3O/c1-13- 9(7-10(14)12-13)11-8-5-3- 2-4-6-8/h2-7,11H,1H3,(H,1 2,14); JAPKWXYUAJYHCE-UHFFFAOYSA-N |
CN1C(=CC(=O)N1)Nc2ccccc2; c2c(NC=1N(C)NC (C=1)=O)cccc2; CN1NC(=O)C=C1Nc2ccccc2 |
1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one |
| 29701 | JH8 CHEMBL4455382 |
1 | C22 H20 N4 O | InChI=1S/C22H20N4O/c1-25( 2)22(27)15-26-14-19(12-24 -26)16-7-9-17(10-8-16)21- 13-23-11-18-5-3-4-6-20(18 )21/h3-14H,15H2,1-2H3; WULUGQONDYDNKY-UHFFFAOYSA-N |
CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccc cc34; CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cn cc4c3cccc4 |
2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide |
| 29702 | JH9 | 6 | C27 H27 F2 N2 O6 P | InChI=1S/C27H27F2N2O6P/c1 -2-3-21-14-20(8-13-24(21) 29)17-30-27(33)25(31-26(3 2)16-19-4-9-22(28)10-5-19 )15-18-6-11-23(12-7-18)37 -38(34,35)36/h2,4-14,25H, 1,3,15-17H2,(H,30,33)(H,3 1,32)(H2,34,35,36)/t25-/m 0/s1; YZWKPURPDOLTHG-VWLOTQADSA-N |
C=CCc1cc(ccc1F)CNC(=O)C(Cc2ccc(cc2)OP(=O )(O)O)NC(=O)Cc3ccc(cc3)F; C=CCc1cc(ccc1F )CNC(=O)[C@H](Cc2ccc(cc2)OP(=O)(O)O)NC(= O)Cc3ccc(cc3)F; O[P](O)(=O)Oc1ccc(C[C@H] (NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F)c(CC= C)c3)cc1; O[P](O)(=O)Oc1ccc(C[CH](NC(=O) Cc2ccc(F)cc2)C(=O)NCc3ccc(F)c(CC=C)c3)cc 1 |
[4-[(2~{S})-3-[(4-fluoranyl-3-prop-2-enyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
| 29703 | JHA CHEMBL1300875 ZINC000000532170 |
1 | C12 H17 Cl N2 | InChI=1S/C12H17ClN2/c1-9- 4-6-15(7-5-9)12-3-2-10(14 )8-11(12)13/h2-3,8-9H,4-7 ,14H2,1H3; KDGRQSQBUKTTMH-UHFFFAOYSA-N |
c1cc(c(cc1N)Cl)N2CCC(C)CC2; CC1CCN(CC1)c 2ccc(cc2Cl)N; CC1CCN(CC1)c2ccc(N)cc2Cl |
3-chloro-4-(4-methylpiperidin-1-yl)aniline |
| 29704 | JHB CHEMBL2030016 ZINC000084652193 |
3 | C24 H17 Cl F3 N O2 | InChI=1S/C24H17ClF3NO2/c1 -14-22(29-21-13-18(25)8-1 1-20(21)23(14)30)17-6-2-1 5(3-7-17)12-16-4-9-19(10- 5-16)31-24(26,27)28/h2-11 ,13H,12H2,1H3,(H,29,30); GGVLPENGSGQOOU-UHFFFAOYSA-N |
CC1=C(Nc2cc(ccc2C1=O)Cl)c3ccc(cc3)Cc4ccc (cc4)OC(F)(F)F; CC1=C(Nc2cc(Cl)ccc2C1=O) c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 |
7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
| 29705 | JHC | 1 | C26 H29 Cl N6 O2 | InChI=1S/C26H29ClN6O2/c1- 4-18(3)23-16-31(26-30-21- 15-19(27)7-9-24(21)35-26) 12-5-13-32(23)25(34)20-14 -17(2)6-8-22(20)33-28-10- 11-29-33/h6-11,14-15,18,2 3H,4-5,12-13,16H2,1-3H3/t 18-,23+/m0/s1; CRLKYMWQHWKXAE-FDDCHVKYSA-N |
CC[C@H](C)[C@H]1CN(CCCN1C(=O)c2cc(ccc2n3 nccn3)C)c4nc5cc(ccc5o4)Cl; CC[C@H](C)[C@ H]1CN(CCCN1C(=O)c2cc(C)ccc2n3nccn3)c4oc5 ccc(Cl)cc5n4; N3(c2oc1c(cc(cc1)Cl)n2)CC( C(CC)C)N(CCC3)C(=O)c4c(ccc(c4)C)n5nccn5; CC[CH](C)[CH]1CN(CCCN1C(=O)c2cc(C)ccc2n 3nccn3)c4oc5ccc(Cl)cc5n4; CCC(C)C1CN(CCC N1C(=O)c2cc(ccc2n3nccn3)C)c4nc5cc(ccc5o4 )Cl |
[(2S)-2-[(2S)-butan-2-yl]-4-(5-chloro-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone |
| 29706 | JHD ZINC000000392018 |
5 | C9 H13 N O2 | InChI=1S/C9H13NO2/c1-11-8 -4-3-7(6-10)5-9(8)12-2/h3 -5H,6,10H2,1-2H3; DIVNUTGTTIRPQA-UHFFFAOYSA-N |
COc1ccc(cc1OC)CN; COc1c(OC)ccc(CN)c1; CO c1ccc(CN)cc1OC |
1-(3,4-dimethoxyphenyl)methanamine |
| 29707 | JHE CHEMBL2030058 ZINC000084671236 |
1 | C24 H18 F3 N O3 | InChI=1S/C24H18F3NO3/c1-1 5-22(28(30)21-5-3-2-4-20( 21)23(15)29)18-10-6-16(7- 11-18)14-17-8-12-19(13-9- 17)31-24(25,26)27/h2-13,3 0H,14H2,1H3; ZSBSILZBHTWRSX-UHFFFAOYSA-N |
CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F )(F)F)cc4)cc3; CC1=C(N(c2ccccc2C1=O)O)c3 ccc(cc3)Cc4ccc(cc4)OC(F)(F)F |
3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one |
| 29708 | JHF | 2 | C29 H32 F N5 O5 S | InChI=1S/C29H32FN5O5S/c1- 17-28(18(2)40-32-17)19-8- 10-24-23(14-19)31-29(35(2 4)21-12-13-33(16-21)41(4, 37)38)25-6-5-7-27(36)34(2 5)20-9-11-26(39-3)22(30)1 5-20/h8-11,14-15,21,25H,5 -7,12-13,16H2,1-4H3/t21-, 25+/m1/s1; IXWWSEVQKVTANB-BWKNWUBXSA-N |
Cc1c(c(on1)C)c2ccc3c(c2)nc(n3[C@@H]4CCN( C4)S(=O)(=O)C)[C@@H]5CCCC(=O)N5c6ccc(c(c 6)F)OC; COc1ccc(cc1F)N2[C@@H](CCCC2=O)c3 nc4cc(ccc4n3[C@@H]5CCN(C5)[S](C)(=O)=O)c 6c(C)onc6C; COc1ccc(cc1F)N2[CH](CCCC2=O) c3nc4cc(ccc4n3[CH]5CCN(C5)[S](C)(=O)=O)c 6c(C)onc6C; Cc1c(c(on1)C)c2ccc3c(c2)nc(n 3C4CCN(C4)S(=O)(=O)C)C5CCCC(=O)N5c6ccc(c (c6)F)OC |
(6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one |
| 29709 | JHG ZINC000098209048 |
2 | C28 H31 F3 N4 O3 S | InChI=1S/C28H31F3N4O3S/c2 9-28(30,31)23-12-8-21(9-1 3-23)17-34-25-18-33-19-26 (25)35(16-4-7-20-5-2-1-3- 6-20)39(37,38)24-14-10-22 (11-15-24)27(32)36/h1-3,5 -6,8-15,25-26,33-34H,4,7, 16-19H2,(H2,32,36)/t25-,2 6-/m0/s1; PREONNALBCMUBU-UIOOFZCWSA-N |
NC(=O)c1ccc(cc1)[S](=O)(=O)N(CCCc2ccccc2 )[C@H]3CNC[C@@H]3NCc4ccc(cc4)C(F)(F)F; O =S(=O)(N(C2C(NCc1ccc(cc1)C(F)(F)F)CNC2)C CCc3ccccc3)c4ccc(C(=O)N)cc4; c1ccc(cc1)C CCN(C2CNCC2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O )c4ccc(cc4)C(=O)N; NC(=O)c1ccc(cc1)[S](= O)(=O)N(CCCc2ccccc2)[CH]3CNC[CH]3NCc4ccc (cc4)C(F)(F)F; c1ccc(cc1)CCCN([C@H]2CNC[ C@@H]2NCc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4cc c(cc4)C(=O)N |
4-{(3-phenylpropyl)[(3S,4S)-4-{[4-(trifluoromethyl)benzyl]amino}pyrrolidin-3-yl]sulfamoyl}benzamide |
| 29710 | JHH | 2 | C24 H34 O5 | InChI=1S/C24H34O5/c1-9-7- 13-17(21(26)11(3)20(13)25 )16-12(9)8-14-18(16)19-22 -10(2)15(28-23(19)27)5-6- 24(14,4)29-22/h7,10-22,25 -26H,5-6,8H2,1-4H3/t10-,1 1+,12+,13-,14-,15+,16+,17 +,18-,19-,20+,21-,22-,24+ /m1/s1; ABHXDOVMRGJWAK-HQNRQHHRSA-N |
C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C @H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H ]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O) C; C[CH]1[CH](O)[CH]2C=C(C)[CH]3C[CH]4[C H]([CH]3[CH]2[CH]1O)[CH]5[CH]6O[C]4(C)CC [CH](OC5=O)[CH]6C; CC1C2CCC3(C4CC5C(C4C( C1O3)C(=O)O2)C6C(C=C5C)C(C(C6O)C)O)C; C[ C@H]1[C@H](O)[C@@H]2C=C(C)[C@@H]3C[C@@H] 4[C@H]([C@@H]3[C@H]2[C@@H]1O)[C@@H]5[C@@ H]6O[C@@]4(C)CC[C@H](OC5=O)[C@H]6C |
Cyclostreptin |
| 29711 | JHI | 4 | C12 H15 Cl N4 | InChI=1S/C12H15ClN4/c1-8- 9(2)17-12(14-8)10(7-11(13 )15-17)16-5-3-4-6-16/h7H, 3-6H2,1-2H3; UBRPLBRZNLYVJJ-UHFFFAOYSA-N |
Cc1nc2n(nc(Cl)cc2N3CCCC3)c1C; Cc1c(C)nc2 c(cc(Cl)nn12)N1CCCC1; Cc1c(n2c(n1)c(cc(n 2)Cl)N3CCCC3)C |
(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine |
| 29712 | JHJ CHEMBL274733 ZINC000000067722 |
16 | C13 H13 N3 O2 | InChI=1S/C13H13N3O2/c1-18 -12-4-2-10(3-5-12)15-13(1 7)16-11-6-8-14-9-7-11/h2- 9H,1H3,(H2,14,15,16,17); IFKGCTGEAFOLOL-UHFFFAOYSA-N |
COc1ccc(cc1)NC(=O)Nc2ccncc2; COc1ccc(NC( =O)Nc2ccncc2)cc1; C(=O)(Nc1ccncc1)Nc2ccc (cc2)OC |
N-(4-methoxyphenyl)-N'-pyridin-4-ylurea |
| 29713 | JHK CHEMBL5929833 |
1 | C21 H19 N5 O | InChI=1S/C21H19N5O/c1-25( 2)21(27)14-26-13-18(10-24 -26)15-3-5-16(6-4-15)19-1 2-23-9-17-7-8-22-11-20(17 )19/h3-13H,14H2,1-2H3; OQOHDKVDMBADIN-UHFFFAOYSA-N |
CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccn cc34; CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cn cc4c3cncc4 |
~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide |
| 29714 | JHL CHEMBL4785363 |
16 | C30 H32 F2 N4 O3 | InChI=1S/C30H32F2N4O3/c1- 17-29(18(2)39-34-17)19-7- 14-26-25(15-19)33-30(36(2 6)20-8-11-22(38-3)12-9-20 )27-5-4-6-28(37)35(27)21- 10-13-23(31)24(32)16-21/h 7,10,13-16,20,22,27H,4-6, 8-9,11-12H2,1-3H3/t20-,22 -,27-/m0/s1; SKDNDJWEBPQKCS-CLHVYKLBSA-N |
Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)O C)[C@@H]5CCCC(=O)N5c6ccc(c(c6)F)F; Cc1c( c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5C CCC(=O)N5c6ccc(c(c6)F)F; CO[C@@H]1CC[C@H ](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[C@@H] 5CCCC(=O)N5c6ccc(F)c(F)c6; CO[CH]1CC[CH] (CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CC CC(=O)N5c6ccc(F)c(F)c6 |
(6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one; CCS1477; Inobrodib |
| 29715 | JHM ZINC000058650367 |
11 | C6 H12 O8 S | InChI=1S/C6H12O8S/c7-3-1- 5(8)14-4(6(3)9)2-13-15(10 ,11)12/h3-9H,1-2H2,(H,10, 11,12)/t3-,4-,5+,6+/m1/s1; GDISEEDIIABUSR-ZXXMMSQZSA-N |
C1C(C(C(OC1O)COS(=O)(=O)O)O)O; C1[C@H]([ C@@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O; O[CH]1C[CH](O)[CH](O)[CH](CO[S](O)(=O)=O )O1; O=S(=O)(O)OCC1OC(O)CC(O)C1O; O[C@@H ]1C[C@@H](O)[C@H](O)[C@@H](CO[S](O)(=O)= O)O1 |
2-deoxy-6-O-sulfo-alpha-D-glucopyranose; 2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose; 2-deoxy-6-O-sulfo-alpha-D-glucose; 2-deoxy-6-O-sulfo-D-glucose; 2-deoxy-6-O-sulfo-glucose |
| 29716 | JHN CHEMBL3317856 DB12134 |
9 | C24 H28 N6 O3 | InChI=1S/C24H28N6O3/c31-2 2-4-3-20-24-29(22)15-19(3 0(24)23(32)13-27-20)14-28 -7-5-17(6-8-28)25-11-18-1 0-16-2-1-9-33-21(16)12-26 -18/h3-4,10,12-13,17,19,2 5H,1-2,5-9,11,14-15H2/t19 -/m1/s1; PZFAZQUREQIODZ-LJQANCHMSA-N |
c1c2c(cnc1CNC3CCN(CC3)C[C@@H]4CN5C(=O)C= CC6=C5N4C(=O)C=N6)OCCC2; c1c2c(cnc1CNC3C CN(CC3)CC4CN5C(=O)C=CC6=C5N4C(=O)C=N6)OC CC2; O=C1C=CC2=C3N1C[CH](CN4CCC(CC4)NCc5 cc6CCCOc6cn5)N3C(=O)C=N2; O=C1C=CC2=C3N1 C[C@@H](CN4CCC(CC4)NCc5cc6CCCOc6cn5)N3C( =O)C=N2 |
(3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione |
| 29717 | JHO ZINC000078666733 |
2 | C18 H20 N6 O | InChI=1S/C18H20N6O/c1-2-1 7-21-22-18-8-7-16(23-24(1 7)18)20-13(11-25)9-12-10- 19-15-6-4-3-5-14(12)15/h3 -8,10,13,19,25H,2,9,11H2, 1H3,(H,20,23)/t13-/m0/s1; CKLIDLDTHWLCIM-ZDUSSCGKSA-N |
CCc1nnc2ccc(N[CH](CO)Cc3c[nH]c4ccccc34)n n12; CCc1nnc2n1nc(cc2)NC(Cc3c[nH]c4c3ccc c4)CO; CCc1nnc2ccc(N[C@H](CO)Cc3c[nH]c4c cccc34)nn12; CCc1nnc2n1nc(cc2)N[C@@H](Cc 3c[nH]c4c3cccc4)CO |
(2S)-2-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]-3-(1H-indol-3-yl)propan-1-ol |
| 29718 | JHP CHEMBL1360349 ZINC000000467615 |
11 | C10 H14 Cl N3 O | InChI=1S/C10H14ClN3O/c1-1 4-6-8(11)9(13-14)10(15)12 -7-4-2-3-5-7/h6-7H,2-5H2, 1H3,(H,12,15); AEWMHZKRUKXXFH-UHFFFAOYSA-N |
Cn1cc(c(n1)C(=O)NC2CCCC2)Cl; C2(NC(c1c(c n(C)n1)Cl)=O)CCCC2; Cn1cc(Cl)c(n1)C(=O)N C2CCCC2 |
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide |
| 29719 | JHR | 1 | C24 H23 F2 N2 O6 P | InChI=1S/C24H23F2N2O6P/c2 5-19-7-1-17(2-8-19)14-23( 29)28-22(24(30)27-15-18-3 -9-20(26)10-4-18)13-16-5- 11-21(12-6-16)34-35(31,32 )33/h1-12,22H,13-15H2,(H, 27,30)(H,28,29)(H2,31,32, 33)/t22-/m0/s1; BALOTWIQBQLNPP-QFIPXVFZSA-N |
c1cc(ccc1CC(C(=O)NCc2ccc(cc2)F)NC(=O)Cc3 ccc(cc3)F)OP(=O)(O)O; O[P](O)(=O)Oc1ccc( C[CH](NC(=O)Cc2ccc(F)cc2)C(=O)NCc3ccc(F) cc3)cc1; c1cc(ccc1C[C@@H](C(=O)NCc2ccc(c c2)F)NC(=O)Cc3ccc(cc3)F)OP(=O)(O)O; O[P] (O)(=O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(F)cc2) C(=O)NCc3ccc(F)cc3)cc1 |
[4-[(2~{S})-2-[2-(4-fluorophenyl)ethanoylamino]-3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
| 29720 | JHS ZINC000000209570 |
3 | C14 H19 N O2 | InChI=1S/C14H19NO2/c1-12( 16)15-11-14(7-9-17-10-8-1 4)13-5-3-2-4-6-13/h2-6H,7 -11H2,1H3,(H,15,16); NGIANCGROXYCRZ-UHFFFAOYSA-N |
C1OCCC(CNC(C)=O)(C1)c2ccccc2; CC(=O)NCC1 (CCOCC1)c2ccccc2 |
N-[(4-phenyloxan-4-yl)methyl]acetamide |
| 29721 | JHT CHEMBL4096369 ZINC000584905571 |
5 | C19 H22 N4 | InChI=1S/C19H22N4/c1-23(2 )17-5-3-4-14(10-17)12-21- 13-15-6-7-16-8-9-19(20)22 -18(16)11-15/h3-11,21H,12 -13H2,1-2H3,(H2,20,22); SOVIURHDFSQRNW-UHFFFAOYSA-N |
CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N; CN( C)c1cccc(CNCc2ccc3ccc(N)nc3c2)c1 |
7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine |
| 29722 | JHU CHEMBL5567127 |
2 | C14 H14 Cl N5 O | InChI=1S/C14H14ClN5O/c1-1 6-12-11-13(19-14(15)18-12 )20(8-17-11)6-9-2-4-10(7- 21)5-3-9/h2-5,8,21H,6-7H2 ,1H3,(H,16,18,19); OEZQCNKPEFXLFB-UHFFFAOYSA-N |
CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccc(cc3)CO; CN c1nc(Cl)nc2n(Cc3ccc(CO)cc3)cnc12 |
[4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanol |
| 29723 | JHV CHEMBL1896444 ZINC000000158735 |
1 | C11 H10 Cl N3 | InChI=1S/C11H10ClN3/c12-8 -1-2-11(10(13)7-8)15-9-3- 5-14-6-4-9/h1-7H,13H2,(H, 14,15); LSMXFIQZRFSQBH-UHFFFAOYSA-N |
c1(ccncc1)Nc2ccc(cc2N)Cl; c1cc(c(cc1Cl)N )Nc2ccncc2; Nc1cc(Cl)ccc1Nc2ccncc2 |
4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine |
| 29724 | JHW CHEMBL4798624 |
4 | C17 H12 N4 O S | InChI=1S/C17H12N4OS/c22-1 7-14-12(19-9-21(17)11-3-4 -11)5-6-13-15(14)23-16(20 -13)10-2-1-7-18-8-10/h1-2 ,5-9,11H,3-4H2; UZKITQOBTXEXSY-UHFFFAOYSA-N |
O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5; c1cc(cnc1)c2nc3ccc4c(c3s2)C(=O)N(C=N4)C 5CC5 |
8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one |
| 29725 | JHX | 4 | C18 H20 Cl N5 O2 | InChI=1S/C18H20ClN5O2/c1- 26-18-16(23-14(9-21-18)11 -2-3-11)17(25)22-13-6-7-2 4(10-13)15-5-4-12(19)8-20 -15/h4-5,8-9,11,13H,2-3,6 -7,10H2,1H3,(H,22,25); IZUDNYOYKVEQHC-UHFFFAOYSA-N |
COc1ncc(nc1C(=O)NC1CCN(C1)c1ncc(Cl)cc1)C 1CC1; COc1c(nc(cn1)C2CC2)C(=O)NC3CCN(C3) c4ccc(cn4)Cl; COc1c(nc(cn1)C2CC2)C(=O)N[ C@@H]3CCN(C3)c4ccc(cn4)Cl; COc1ncc(nc1C( =O)N[CH]2CCN(C2)c3ccc(Cl)cn3)C4CC4; COc1 ncc(nc1C(=O)N[C@@H]2CCN(C2)c3ccc(Cl)cn3) C4CC4 |
N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-6-cyclopropyl-3-methoxypyrazine-2-carboxamide |
| 29726 | JHY CHEMBL4092205 |
6 | C10 H7 Cl2 N O4 | InChI=1S/C10H7Cl2NO4/c11- 5-3-7-8(4-6(5)12)17-10(16 )13(7)2-1-9(14)15/h3-4H,1 -2H2,(H,14,15); MIGAKMWKMLYGJX-UHFFFAOYSA-N |
c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O; OC(=O )CCN1C(=O)Oc2cc(Cl)c(Cl)cc12 |
3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID |
| 29727 | JHZ ZINC000008437097 |
7 | C17 H27 N3 O13 P2 | InChI=1S/C17H27N3O13P2/c1 -8-6-20(16(24)19-15(8)23) 12-4-10(21)11(31-12)7-29- 34(25,26)33-35(27,28)32-1 3-5-17(3,18)14(22)9(2)30- 13/h6,9-13,21H,4-5,7,18H2 ,1-3H3,(H,25,26)(H,27,28) (H,19,23,24)/t9-,10+,11-, 12-,13-,17+/m1/s1; LXNLHPYBLNFMEH-XXXNSVIPSA-N |
C[CH]1O[CH](C[C](C)(N)C1=O)O[P](O)(=O)O[ P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C( =O)NC3=O; C[C@H]1O[C@@H](C[C@](C)(N)C1=O )O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](C[ C@@H]2O)N3C=C(C)C(=O)NC3=O; CC1C(=O)C(CC (O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C( C(=O)NC3=O)C)O)(C)N; C[C@@H]1C(=O)[C@@]( C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@ H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N; O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(O P(=O)(OC3OC(C(=O)C(N)(C3)C)C)O)O)C |
|
| 29728 | JI0 | 1 | C26 H27 F2 N2 O6 P | InChI=1S/C26H27F2N2O6P/c1 -2-20-13-19(7-12-23(20)28 )16-29-26(32)24(30-25(31) 15-18-3-8-21(27)9-4-18)14 -17-5-10-22(11-6-17)36-37 (33,34)35/h3-13,24H,2,14- 16H2,1H3,(H,29,32)(H,30,3 1)(H2,33,34,35)/t24-/m0/s 1; CMSIRRVKRDBENU-DEOSSOPVSA-N |
CCc1cc(ccc1F)CNC(=O)[C@H](Cc2ccc(cc2)OP( =O)(O)O)NC(=O)Cc3ccc(cc3)F; CCc1cc(CNC(= O)[CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3 ccc(F)cc3)ccc1F; CCc1cc(CNC(=O)[C@H](Cc2 ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3ccc(F)cc3) ccc1F; CCc1cc(ccc1F)CNC(=O)C(Cc2ccc(cc2) OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F |
[4-[(2~{S})-3-[(3-ethyl-4-fluoranyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
| 29729 | JI1 CHEMBL475797 ZINC000024957128 |
2 | C13 H22 N4 O | InChI=1S/C13H22N4O/c14-13 -4-1-3-11(17-13)7-10-8-15 -9-12(10)16-5-2-6-18/h1,3 -4,10,12,15-16,18H,2,5-9H 2,(H2,14,17)/t10-,12+/m0/ s1; SJAGNBCHAAJNEQ-CMPLNLGQSA-N |
Nc1cccc(C[CH]2CNC[CH]2NCCCO)n1; c1cc(nc( c1)N)C[C@H]2CNC[C@H]2NCCCO; n1c(N)cccc1C C2CNCC2NCCCO; Nc1cccc(C[C@H]2CNC[C@H]2NC CCO)n1; c1cc(nc(c1)N)CC2CNCC2NCCCO |
3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol; (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol |
| 29730 | JI2 CHEMBL510760 ZINC000024957197 |
4 | C12 H21 N5 | InChI=1S/C12H21N5/c13-4-5 -16-11-8-15-7-9(11)6-10-2 -1-3-12(14)17-10/h1-3,9,1 1,15-16H,4-8,13H2,(H2,14, 17)/t9-,11+/m0/s1; BETYXZSFUFTOLC-GXSJLCMTSA-N |
NCCN[CH]1CNC[CH]1Cc2cccc(N)n2; c1cc(nc(c 1)N)C[C@H]2CNC[C@H]2NCCN; c1cc(nc(c1)N)C C2CNCC2NCCN; NCCN[C@@H]1CNC[C@@H]1Cc2ccc c(N)n2; n1c(N)cccc1CC2CNCC2NCCN |
N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine; (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine |
| 29731 | JI3 CHEMBL474637 DB08018 ZINC000039036155 |
4 | C20 H28 Cl N5 | InChI=1S/C20H28ClN5/c1-14 -8-18(26-20(22)9-14)10-16 -12-24-13-19(16)25-7-6-23 -11-15-2-4-17(21)5-3-15/h 2-5,8-9,16,19,23-25H,6-7, 10-13H2,1H3,(H2,22,26)/t1 6-,19+/m0/s1; JDRSQGJWTVRNGM-QFBILLFUSA-N |
Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3ccc(cc3)Cl; Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCc3ccc(Cl) cc3)c1; Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NC CNCc3ccc(cc3)Cl; Cc1cc(N)nc(C[C@H]2CNC[C @H]2NCCNCc3ccc(Cl)cc3)c1; Clc1ccc(cc1)CN CCNC2C(CNC2)Cc3nc(N)cc(c3)C |
N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE |
| 29732 | JI4 CHEMBL480419 ZINC000040933970 |
8 | C21 H30 F N5 | InChI=1S/C21H30FN5/c1-15- 9-19(27-21(23)10-15)12-17 -13-25-14-20(17)26-8-7-24 -6-5-16-3-2-4-18(22)11-16 /h2-4,9-11,17,20,24-26H,5 -8,12-14H2,1H3,(H2,23,27) /t17-,20+/m0/s1; PUOKPLCASUFBAN-FXAWDEMLSA-N |
Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cc cc(c3)F; Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCC c3cccc(F)c3)c1; Fc1cccc(c1)CCNCCNC2C(CNC 2)Cc3nc(N)cc(c3)C; Cc1cc(N)nc(C[C@H]2CNC [C@H]2NCCNCCc3cccc(F)c3)c1; Cc1cc(nc(c1) N)CC2CNCC2NCCNCCc3cccc(c3)F |
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine; N1-[(3' S,4' S)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride |
| 29733 | JI5 CHEMBL594682 ZINC000040943285 |
10 | C21 H30 F N5 | InChI=1S/C21H30FN5/c1-15- 9-19(27-21(23)10-15)12-17 -13-25-14-20(17)26-8-7-24 -6-5-16-3-2-4-18(22)11-16 /h2-4,9-11,17,20,24-26H,5 -8,12-14H2,1H3,(H2,23,27) /t17-,20+/m1/s1; PUOKPLCASUFBAN-XLIONFOSSA-N |
Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCCc3cccc(F) c3)c1; Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N )cc(c3)C; Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H ]2NCCNCCc3cccc(c3)F; Cc1cc(N)nc(C[C@@H]2 CNC[C@@H]2NCCNCCc3cccc(F)c3)c1; Cc1cc(nc (c1)N)CC2CNCC2NCCNCCc3cccc(c3)F |
N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine; N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride |
| 29734 | JI6 | 1 | C11 H11 Cu N O4 | InChI=1S/C11H13NO4.Cu/c1- 7(13)10(11(15)16)12-6-8-4 -2-3-5-9(8)14;/h2-7,10,13 -14H,1H3,(H,15,16);/q;+2/ p-2/b12-6+;/t7-,10+;/m1./ s1; RLMUPHKMYNMLMB-NBDMYRNNSA-L |
C[C@H]([C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2 )O; CC(C1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O; C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O; C[C@ @H](O)[C@@H]1N=Cc2ccccc2O[Cu]OC1=O |
(6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
| 29735 | JI7 CHEMBL526688 DB08019 ZINC000039036704 |
4 | C20 H28 Cl N5 | InChI=1S/C20H28ClN5/c1-14 -7-18(26-20(22)8-14)10-16 -12-24-13-19(16)25-6-5-23 -11-15-3-2-4-17(21)9-15/h 2-4,7-9,16,19,23-25H,5-6, 10-13H2,1H3,(H2,22,26)/t1 6-,19-/m0/s1; VWCMAGONQJHIJZ-LPHOPBHVSA-N |
Clc1cccc(c1)CNCCNC2C(CNC2)Cc3nc(N)cc(c3) C; Cc1cc(N)nc(C[CH]2CNC[CH]2NCCNCc3cccc( Cl)c3)c1; Cc1cc(N)nc(C[C@H]2CNC[C@@H]2NC CNCc3cccc(Cl)c3)c1; Cc1cc(nc(c1)N)CC2CNC C2NCCNCc3cccc(c3)Cl; Cc1cc(nc(c1)N)C[C@H ]2CNC[C@@H]2NCCNCc3cccc(c3)Cl |
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine; (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine |
| 29736 | JI8 | 4 | C22 H23 N8 O3 | InChI=1S/C22H23N8O3/c1-29 -19(15(11-25-29)20(31)24- 12-18-23-8-10-33-18)21(32 )27-17-7-9-30-13-16(26-22 (30)28-17)14-5-3-2-4-6-14 /h2-7,9,25H,8,10-13H2,1H3 ,(H,24,31)(H,27,28,32); AVVCXVRZOIOIOX-UHFFFAOYSA-N |
CN1C(=C(CN1)C(=O)NCC2=NCCO2)C(=O)NC3=NC4 =[N](CC(=N4)c5ccccc5)C=C3; CN1NCC(=C1C(= O)Nc2cc[n]3CC(=Nc3n2)c4ccccc4)C(=O)NCC5= NCCO5 |
~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide |
| 29737 | JI9 | 1 | C25 H25 F2 N2 O6 P | InChI=1S/C25H25F2N2O6P/c1 -16-12-19(6-11-22(16)27)1 5-28-25(31)23(29-24(30)14 -18-2-7-20(26)8-3-18)13-1 7-4-9-21(10-5-17)35-36(32 ,33)34/h2-12,23H,13-15H2, 1H3,(H,28,31)(H,29,30)(H2 ,32,33,34)/t23-/m0/s1; WXCVBJACCVIYCK-QHCPKHFHSA-N |
Cc1cc(ccc1F)CNC(=O)[C@H](Cc2ccc(cc2)OP(= O)(O)O)NC(=O)Cc3ccc(cc3)F; Cc1cc(CNC(=O) [CH](Cc2ccc(O[P](O)(O)=O)cc2)NC(=O)Cc3cc c(F)cc3)ccc1F; Cc1cc(ccc1F)CNC(=O)C(Cc2c cc(cc2)OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F; Cc 1cc(CNC(=O)[C@H](Cc2ccc(O[P](O)(O)=O)cc2 )NC(=O)Cc3ccc(F)cc3)ccc1F |
[4-[(2~{S})-3-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
| 29738 | JIA CHEMBL3245227 ZINC000056874745 |
2 | C19 H39 N5 O9 | InChI=1S/C19H39N5O9/c1-19 (29)5-30-18(13(28)16(19)2 4-2)33-15-7(22)3-6(21)14( 12(15)27)32-17-9(23)11(26 )10(25)8(4-20)31-17/h6-18 ,24-29H,3-5,20-23H2,1-2H3 /t6-,7+,8+,9+,10+,11+,12- ,13+,14+,15-,16+,17+,18+, 19-/m0/s1; YQGZDAPJXRYYLX-ZFAMMYHGSA-N |
CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C( C(O3)CN)O)O)N)N)N)O; CN[CH]1[CH](O)[CH]( OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[C H]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O; CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C @H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H ](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O; C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H ]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3 [C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N) N)O |
(2~{R},3~{R},4~{R},5~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azany l-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol; JI-20A |
| 29739 | JIB CHEMBL5549847 |
2 | C14 H12 Cl N5 O2 | InChI=1S/C14H12ClN5O2/c1- 16-11-10-12(19-14(15)18-1 1)20(7-17-10)6-8-2-4-9(5- 3-8)13(21)22/h2-5,7H,6H2, 1H3,(H,21,22)(H,16,18,19); LLLRKPJCTLQGIS-UHFFFAOYSA-N |
CNc1c2c(nc(n1)Cl)n(cn2)Cc3ccc(cc3)C(=O)O ; CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12 |
4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid |
| 29740 | JIC | 1 | C22 H20 N6 O2 | InChI=1S/C22H20N6O2/c1-27 -20(17(12-23-27)21(29)24- 15-7-8-15)22(30)25-16-9-1 0-28-13-18(26-19(28)11-16 )14-5-3-2-4-6-14/h2-6,9-1 3,15H,7-8H2,1H3,(H,24,29) (H,25,30); LKUIZRWATPLATP-UHFFFAOYSA-N |
Cn1c(c(cn1)C(=O)NC2CC2)C(=O)Nc3ccn4cc(nc 4c3)c5ccccc5; Cn1ncc(C(=O)NC2CC2)c1C(=O) Nc3ccn4cc(nc4c3)c5ccccc5; O=C(NC1CC1)c1c nn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1 |
N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
| 29741 | JIE CHEMBL4204314 |
1 | C17 H26 N6 O7 S | InChI=1S/C17H26N6O7S/c1-8 (2)5-9(18)16(26)22-31(27, 28)29-6-11-13(24)14(25)17 (30-11)23-7-21-12-10(23)3 -4-20-15(12)19/h3-4,7-9,1 1,13-14,17,24-25H,5-6,18H 2,1-2H3,(H2,19,20)(H,22,2 6)/t9-,11+,13+,14+,17+/m0 /s1; SLTGASQMUPNMPQ-JHTGIODLSA-N |
CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1O [C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)nccc23; CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C @H]([C@H]([C@@H](O1)n2cnc3c2ccnc3N)O)O)N ; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O [CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23; CC( C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)n2cnc3c 2ccnc3N)O)O)N |
[(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 29742 | JIF ZINC000002584330 |
3 | C6 H3 F3 O | InChI=1S/C6H3F3O/c7-4-1-3 (10)2-5(8)6(4)9/h1-2,10H; ZRTWIJKGTUGZJY-UHFFFAOYSA-N |
c1c(cc(c(c1F)F)F)O; Oc1cc(F)c(F)c(F)c1 | 3,4,5-tris(fluoranyl)phenol |
| 29743 | JIG | 4 | C19 H18 N4 O S | InChI=1S/C19H18N4OS/c1-11 -9-21-15(12(2)18(11)24-3) 10-25-19-22-14-7-6-13-5-4 -8-20-16(13)17(14)23-19/h 4-9H,10H2,1-3H3,(H,22,23); ZWELDPMNGYNELL-UHFFFAOYSA-N |
Cc1cnc(c(c1OC)C)CSc2[nH]c3c(n2)ccc4c3ncc c4; COc1c(C)cnc(CSc2[nH]c3c(ccc4cccnc34) n2)c1C; Cc1c(OC)c(C)cnc1CSc1nc2ccc3cccnc 3c2[NH]1 |
2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline |
| 29744 | JIH | 4 | C26 H26 Cl F N3 O7 P | InChI=1S/C26H26ClFN3O7P/c 27-15-25(33)30-21-3-1-2-1 9(12-21)16-29-26(34)23(31 -24(32)14-18-4-8-20(28)9- 5-18)13-17-6-10-22(11-7-1 7)38-39(35,36)37/h1-12,23 H,13-16H2,(H,29,34)(H,30, 33)(H,31,32)(H2,35,36,37) /t23-/m0/s1; WSEFGYSEXKXLRO-QHCPKHFHSA-N |
O[P](O)(=O)Oc1ccc(C[CH](NC(=O)Cc2ccc(F)c c2)C(=O)NCc3cccc(NC(=O)CCl)c3)cc1; c1cc( cc(c1)NC(=O)CCl)CNC(=O)[C@H](Cc2ccc(cc2) OP(=O)(O)O)NC(=O)Cc3ccc(cc3)F; O[P](O)(= O)Oc1ccc(C[C@H](NC(=O)Cc2ccc(F)cc2)C(=O) NCc3cccc(NC(=O)CCl)c3)cc1; c1cc(cc(c1)NC (=O)CCl)CNC(=O)C(Cc2ccc(cc2)OP(=O)(O)O)N C(=O)Cc3ccc(cc3)F |
[4-[(2~{S})-3-[[3-(2-chloranylethanoylamino)phenyl]methylamino]-2-[2-(4-fluorophenyl)ethanoylamino]-3-oxidanylidene-propyl]phenyl] dihydrogen phosphate |
| 29745 | JII CHEMBL5563294 |
2 | C14 H14 Cl N5 O | InChI=1S/C14H14ClN5O/c1-1 6-12-11-13(19-14(15)18-12 )20(8-17-11)7-9-4-3-5-10( 6-9)21-2/h3-6,8H,7H2,1-2H 3,(H,16,18,19); RCMLMKKWOUVRKR-UHFFFAOYSA-N |
CNc1nc(Cl)nc2n(Cc3cccc(OC)c3)cnc12; CNc1 c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)OC |
2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine |
| 29746 | JIJ CHEMBL4645765 ZINC000006505274 |
4 | C10 H12 N4 | InChI=1S/C10H12N4/c1-2-6- 14(5-1)10-8-3-4-11-9(8)12 -7-13-10/h3-4,7H,1-2,5-6H 2,(H,11,12,13); IWEVZVZLDUSNNB-UHFFFAOYSA-N |
n1cnc(c2cc[NH]c12)N1CCCC1; C1CCN(C1)c2nc nc3[nH]ccc23; c1c[nH]c2c1c(ncn2)N3CCCC3 |
4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine |
| 29747 | JIK CHEMBL3457881 ZINC000021966574 |
4 | C12 H13 N3 O2 | InChI=1S/C12H13N3O2/c16-1 2(17)9-5-8-7-14-15(11(8)1 3-6-9)10-3-1-2-4-10/h5-7, 10H,1-4H2,(H,16,17); OJOATUNPRXJFJJ-UHFFFAOYSA-N |
c1c2cnn(c2ncc1C(=O)O)C3CCCC3; OC(=O)c1cn c2n(ncc2c1)C3CCCC3 |
1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid |
| 29748 | JIL ZINC000038432789 |
2 | C22 H28 N8 O5 S | InChI=1S/C22H28N8O5S/c23- 20-17-21(27-10-26-20)29(1 1-28-17)22-19(32)18(31)16 (35-22)9-36-4-3-24-8-14-5 -12-1-2-15(30(33)34)6-13( 12)7-25-14/h1-2,6,10-11,1 4,16,18-19,22,24-25,31-32 H,3-5,7-9H2,(H2,23,26,27) /t14-,16-,18+,19+,22+/m0/ s1; XTRSLZMJUJDRCM-RWAFIUBPSA-N |
c1cc2c(cc1[N+](=O)[O-])CNC(C2)CNCCSCC3C( C(C(O3)n4cnc5c4ncnc5N)O)O; Nc1ncnc2n(cnc 12)[CH]3O[CH](CSCCNC[CH]4Cc5ccc(cc5CN4)[ N+]([O-])=O)[CH](O)[CH]3O; c1cc2c(cc1[N+ ](=O)[O-])CN[C@@H](C2)CNCCSC[C@H]3[C@H]( [C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O; Nc1n cnc2n(cnc12)[C@@H]3O[C@@H](CSCCNC[C@@H]4 Cc5ccc(cc5CN4)[N+]([O-])=O)[C@@H](O)[C@H ]3O; [O-][N+](=O)c1ccc2c(c1)CNC(C2)CNCCS CC5OC(n4cnc3c(ncnc34)N)C(O)C5O |
9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine |
| 29749 | JIM ZINC000002015933 |
1 | C5 H10 O4 | InChI=1S/C5H10O4/c1-4(7)9 -3-5(8)2-6/h5-6,8H,2-3H2, 1H3/t5-/m1/s1; KMZHZAAOEWVPSE-RXMQYKEDSA-N |
CC(=O)OCC(CO)O; CC(=O)OC[C@@H](CO)O; CC( =O)OC[C@H](O)CO; CC(=O)OC[CH](O)CO |
(2R)-2,3-dihydroxypropyl acetate; (1R)-1-glycerol acetate |
| 29750 | JIN CHEMBL574058 ZINC000000602675 |
2 | C21 H15 Cl2 F N4 O | InChI=1S/C21H15Cl2FN4O/c1 -11-8-13(6-7-17(11)24)26- 21-25-10-12-9-14(20(29)28 (2)19(12)27-21)18-15(22)4 -3-5-16(18)23/h3-10H,1-2H 3,(H,25,26,27); SLCFEJAMCRLYRG-UHFFFAOYSA-N |
Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c (cccc4Cl)Cl)C; CN1C(=O)C(=Cc2cnc(Nc3ccc( F)c(C)c3)nc12)c4c(Cl)cccc4Cl; Fc1c(cc(cc 1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(Cl)cccc4C l)C)C |
6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE; PD180970 |
| 29751 | JIP | 4 | C18 H20 N8 | InChI=1S/C18H20N8/c1-12-1 0-19-13(2)17-20-15(22-26( 12)17)11-24(3)18-21-16(23 -25(18)4)14-8-6-5-7-9-14/ h5-10H,11H2,1-4H3; MWWCLUMIQIEDRW-UHFFFAOYSA-N |
CN(Cc1nn2c(C)cnc(C)c2n1)c3nc(nn3C)c4cccc c4; Cc1cnc(c2n1nc(n2)CN(C)c3nc(nn3C)c4cc ccc4)C; Cn1nc(nc1N(C)Cc1nc2c(C)ncc(C)n2n 1)c1ccccc1 |
N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-N,1-dimethyl-3-phenyl-1H-1,2,4-triazol-5-amine |
| 29752 | JIR CHEMBL5565834 |
2 | C14 H11 Cl N6 | InChI=1S/C14H11ClN6/c1-17 -12-11-13(20-14(15)19-12) 21(8-18-11)7-10-4-2-3-9(5 -10)6-16/h2-5,8H,7H2,1H3, (H,17,19,20); UCROUMGLMCLSPK-UHFFFAOYSA-N |
CNc1c2c(nc(n1)Cl)n(cn2)Cc3cccc(c3)C#N; C Nc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12 |
3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile |
| 29753 | JIS ZINC000004745467 |
4 | C20 H20 N6 | InChI=1S/C20H20N6/c1-4-11 -25(12-5-1)19-18-20(22-14 -21-19)26(24-23-18)13-16- 9-6-8-15-7-2-3-10-17(15)1 6/h2-3,6-10,14H,1,4-5,11- 13H2; VSBRXBZIBAPPKC-UHFFFAOYSA-N |
C1CCN(CC1)c2ncnc3n(Cc4cccc5ccccc45)nnc23 ; n1cnc2c(nnn2Cc2cccc3ccccc32)c1N1CCCCC1 ; c1ccc2c(c1)cccc2Cn3c4c(c(ncn4)N5CCCCC5 )nn3 |
3-[(naphthalen-1-yl)methyl]-7-(piperidin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| 29754 | JIT | 1 | C7 H13 N O4 | InChI=1S/C7H13NO4/c9-1-2- 3-4(8-3)6(11)7(12)5(2)10/ h2-12H,1H2/t2-,3+,4+,5+,6 +,7-/m0/s1; GPIFFOGPRPKRHS-IVZITJRKSA-N |
C(C1C2C(N2)C(C(C1O)O)O)O; OC[CH]1[CH](O) [CH](O)[CH](O)[CH]2N[CH]12; OC[C@@H]1[C@ @H](O)[C@H](O)[C@H](O)[C@@H]2N[C@H]12; C ([C@H]1[C@@H]2[C@@H](N2)[C@H]([C@H]([C@@ H]1O)O)O)O |
beta-D-manno-configured cyclophellitol aziridine |
| 29755 | JIV CHEMBL3952690 |
4 | C16 H21 Cl N8 | InChI=1S/C16H21ClN8/c1-10 -14(17)15-19-12(21-25(15) 11(2)18-10)6-7-13-20-16(2 2-23(13)3)24-8-4-5-9-24/h 4-9H2,1-3H3; YVAQHEWFJCNZIR-UHFFFAOYSA-N |
Cn1nc(nc1CCc1nc2c(Cl)c(C)nc(C)n2n1)N1CCC C1; Cc1c(c2nc(nn2c(n1)C)CCc3nc(nn3C)N4CC CC4)Cl; Cn1nc(nc1CCc2nn3c(C)nc(C)c(Cl)c3 n2)N4CCCC4 |
(4S)-8-chloro-5,7-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-c]pyrimidine |
| 29756 | JIW | 1 | C7 H15 N O5 | InChI=1S/C7H15NO5/c8-3-2( 1-9)4(10)6(12)7(13)5(3)11 /h2-7,9-13H,1,8H2/t2-,3+, 4+,5-,6-,7+/m0/s1; SWVTZDDSAFUTKS-DOMFMGKQSA-N |
C([C@H]1[C@H]([C@@H]([C@H]([C@H]([C@@H]1 O)O)O)O)N)O; C(C1C(C(C(C(C1O)O)O)O)N)O; N[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O )[C@H]1CO; N[CH]1[CH](O)[CH](O)[CH](O)[C H](O)[CH]1CO |
beta-D-manno-configured cyclophellitol aziridine, reacted form; (1~{R},2~{S},3~{R},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| 29757 | JIX ZINC000013795475 |
2 | C7 H9 N O5 | InChI=1S/C7H9NO5/c8-7(6(1 1)12)1-13-4-2(3(4)7)5(9)1 0/h2-4H,1,8H2,(H,9,10)(H, 11,12)/t2-,3-,4+,7-/m0/s1; YASVRZWVUGJELU-NIMDSCNUSA-N |
N[C]1(CO[CH]2[CH]([CH]12)C(O)=O)C(O)=O; N[C@]1(CO[C@@H]2[C@H]([C@H]12)C(O)=O)C(O )=O; OC(=O)C1(N)COC2C(C21)C(=O)O; C1C(C2 C(C2O1)C(=O)O)(C(=O)O)N; C1[C@]([C@H]2[C @@H]([C@H]2O1)C(=O)O)(C(=O)O)N |
(1S,4R,5R,6S)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid |
| 29758 | JIY | 4 | C18 H20 N4 O S | InChI=1S/C18H20N4OS/c1-10 -8-20-16(11(2)17(10)23-3) 9-24-18-21-14-6-12-4-5-19 -13(12)7-15(14)22-18/h6-8 ,19H,4-5,9H2,1-3H3,(H,21, 22); WJZVXHZGDYMISX-UHFFFAOYSA-N |
Cc1cnc(c(c1OC)C)CSc2[nH]c3cc4c(cc3n2)NCC 4; Cc1c(OC)c(C)cnc1CSc1nc2cc3NCCc3cc2[NH ]1; COc1c(C)cnc(CSc2[nH]c3cc4CCNc4cc3n2) c1C |
2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1,5,6,7-tetrahydroimidazo[4,5-f]indole |
| 29759 | JIZ | 8 | C18 H18 N6 O3 S4 | InChI=1S/C18H18N6O3S4/c1- 7-16-22-10(4-29-16)13(25) 19-8(2)17-23-12(5-30-17)1 5(27)21-9(3-28)18-24-11(6 -31-18)14(26)20-7/h4-9,28 H,3H2,1-2H3,(H,19,25)(H,2 0,26)(H,21,27)/t7-,8-,9-/ m0/s1; ZWMLZIGVMMBHAX-CIUDSAMLSA-N |
C[CH]1NC(=O)c2csc(n2)[CH](C)NC(=O)c3csc( n3)[CH](CS)NC(=O)c4csc1n4; C[C@H]1c2nc(c s2)C(=O)N[C@H](c3nc(cs3)C(=O)N[C@H](c4nc (cs4)C(=O)N1)CS)C; CC1c2nc(cs2)C(=O)NC(c 3nc(cs3)C(=O)NC(c4nc(cs4)C(=O)N1)CS)C; C [C@@H]1NC(=O)c2csc(n2)[C@H](C)NC(=O)c3cs c(n3)[C@H](CS)NC(=O)c4csc1n4 |
(4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| 29760 | JJ1 ZINC000098209049 |
1 | C27 H52 N4 O5 | InChI=1S/C27H52N4O5/c28-1 8-11-10-15-23(26(35)29-19 -17-22-13-7-6-8-14-22)31- 27(36)24(21-33)30-25(34)1 6-9-4-2-1-3-5-12-20-32/h2 2-24,32-33H,1-21,28H2,(H, 29,35)(H,30,34)(H,31,36)/ t23-,24-/m0/s1; WOFDCVFMMXKBIZ-ZEQRLZLVSA-N |
C1CCC(CC1)CCNC(=O)C(CCCCN)NC(=O)C(CO)NC( =O)CCCCCCCCCO; NCCCC[CH](NC(=O)[CH](CO)N C(=O)CCCCCCCCCO)C(=O)NCCC1CCCCC1; O=C(NC (C(=O)NC(C(=O)NCCC1CCCCC1)CCCCN)CO)CCCCC CCCCO; C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC( =O)[C@H](CO)NC(=O)CCCCCCCCCO; NCCCC[C@H] (NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO)C(=O)NC CC1CCCCC1 |
N-[(1S)-1-{[(1S)-5-AMINO-1-[(2-CYCLOHEXYLETHYL)CARBAMOYL]PENTYL]CARBAMOYL}-2-HYDROXYETHYL]-10-HYDROXYDECANAMIDE |
| 29761 | JJ2 | 4 | C18 H19 Cl2 N3 O | InChI=1S/C18H19Cl2N3O/c1- 21(2)9-10-22-8-6-17-14(18 (22)24)5-7-23(17)12-13-3- 4-15(19)16(20)11-13/h3-8, 11H,9-10,12H2,1-2H3; PJFCDRDJURVQPH-UHFFFAOYSA-N |
CN(C)CCN1C=Cc2n(Cc3ccc(Cl)c(Cl)c3)ccc2C1 =O; CN(C)CCN1C=Cc2c(ccn2Cc3ccc(c(c3)Cl)C l)C1=O |
1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one |
| 29762 | JJ3 CHEMBL236086 DB08020 ZINC000006716343 |
4 | C20 H22 O4 | InChI=1S/C20H22O4/c1-23-1 1-13-9-15(22)10-18-16-3-2 -4-17(16)19(24-20(13)18)1 2-5-7-14(21)8-6-12/h5-10, 16-17,19,21-22H,2-4,11H2, 1H3/t16-,17+,19+/m1/s1; RHQLNMNKTIOREN-AOIWGVFYSA-N |
COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4 ccc(cc4)O)O; COCc1cc(cc2c1OC(C3C2CCC3)c4 ccc(cc4)O)O; COCc1cc(O)cc2[CH]3CCC[CH]3[ CH](Oc12)c4ccc(O)cc4; Oc1ccc(cc1)C4Oc2c( cc(O)cc2C3CCCC34)COC; COCc1cc(O)cc2[C@@H ]3CCC[C@@H]3[C@@H](Oc12)c4ccc(O)cc4 |
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL |
| 29763 | JJ4 ZINC000000475038 |
0 | C12 H18 N2 O S | InChI=1S/C12H18N2OS/c1-9- 8-13-12(16-9)14-11(15)7-6 -10-4-2-3-5-10/h8,10H,2-7 H2,1H3,(H,13,14,15); OCHVUIYGDNVFCO-UHFFFAOYSA-N |
C(C(Nc1ncc(C)s1)=O)CC2CCCC2; Cc1cnc(s1)N C(=O)CCC2CCCC2; Cc1sc(NC(=O)CCC2CCCC2)nc 1 |
3-cyclopentyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide |
| 29764 | JJ5 | 4 | C14 H10 Cl2 N2 O | InChI=1S/C14H10Cl2N2O/c15 -11-2-1-9(7-12(11)16)8-18 -6-4-10-13(18)3-5-17-14(1 0)19/h1-2,4-7H,3,8H2; GULZPFKZRPRXPF-UHFFFAOYSA-N |
Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl; c1cc( c(cc1Cn2ccc3c2CC=NC3=O)Cl)Cl |
1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one |
| 29765 | JJ6 | 4 | C13 H11 N3 O | InChI=1S/C13H11N3O/c17-9- 10-6-7-16-12(8-10)14-13(1 5-16)11-4-2-1-3-5-11/h1-8 ,17H,9H2; PIGSUKKNFKKDMJ-UHFFFAOYSA-N |
c1ccc(cc1)c2nc3cc(ccn3n2)CO; OCc1ccn2nc( nc2c1)c3ccccc3; OCc1ccn2nc(nc2c1)c1ccccc 1 |
[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol |
| 29766 | JJ7 ZINC000001529114 |
5 | C10 H20 N2 O2 | InChI=1S/C10H20N2O2/c1-9( 13)12-6-3-10(4-7-12)11-5- 8-14-2/h10-11H,3-8H2,1-2H 3; RMJGIXARLGOLGM-UHFFFAOYSA-N |
CC(N1CCC(CC1)NCCOC)=O; CC(=O)N1CCC(CC1)N CCOC; COCCNC1CCN(CC1)C(C)=O |
1-{4-[(2-methoxyethyl)amino]piperidin-1-yl}ethan-1-one |
| 29767 | JJ8 CHEMBL379436 ZINC000004385934 |
2 | C10 H8 Cl2 N2 | InChI=1S/C10H8Cl2N2/c11-9 -2-1-8(5-10(9)12)6-14-4-3 -13-7-14/h1-5,7H,6H2; AYZFQKPOALRPNQ-UHFFFAOYSA-N |
c1cc(c(cc1Cn2ccnc2)Cl)Cl; Clc1ccc(Cn2ccn c2)cc1Cl |
1-[(3,4-dichlorophenyl)methyl]imidazole |
| 29768 | JJ9 | 1 | C15 H15 N3 O3 S | InChI=1S/C15H15N3O3S/c1-1 0(20)16-6-7-17-14(21)11-2 -4-12(5-3-11)15-18-13(8-1 9)9-22-15/h2-5,8-9H,6-7H2 ,1H3,(H,16,20)(H,17,21); RKZUYEHRAHKPLS-UHFFFAOYSA-N |
CC(=O)NCCNC(=O)c1ccc(cc1)c2scc(C=O)n2; C C(=O)NCCNC(=O)c1ccc(cc1)c2nc(cs2)C=O |
N-(2-acetamidoethyl)-4-(4-methanoyl-1,3-thiazol-2-yl)benzamide |
| 29769 | JJA CHEMBL3589163 ZINC000219057107 |
2 | C28 H26 N4 O5 S | InChI=1S/C28H26N4O5S/c1-2 -17-37-25-14-13-22(28(34) 32-38(35,36)24-7-4-3-5-8- 24)18-23(25)19-31-27(33)2 1-11-9-20(10-12-21)26-29- 15-6-16-30-26/h3-16,18H,2 ,17,19H2,1H3,(H,31,33)(H, 32,34); QEJZUENJDZMHGE-UHFFFAOYSA-N |
CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C (=O)N[S](=O)(=O)c4ccccc4; CCCOc1ccc(cc1C NC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O) c4ccccc4; O=S(=O)(c1ccccc1)NC(=O)c2cc(c( OCCC)cc2)CNC(=O)c4ccc(c3ncccn3)cc4 |
N-(phenylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide |
| 29770 | JJB CHEMBL3589241 ZINC000474607106 |
1 | C29 H28 N4 O5 S | InChI=1S/C29H28N4O5S/c1-2 -17-38-26-14-13-24(29(35) 33-39(36,37)20-21-7-4-3-5 -8-21)18-25(26)19-32-28(3 4)23-11-9-22(10-12-23)27- 30-15-6-16-31-27/h3-16,18 H,2,17,19-20H2,1H3,(H,32, 34)(H,33,35); JNDTXHSMALXHGN-UHFFFAOYSA-N |
CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C (=O)NS(=O)(=O)Cc4ccccc4; CCCOc1ccc(cc1CN C(=O)c2ccc(cc2)c3ncccn3)C(=O)N[S](=O)(=O )Cc4ccccc4; O=S(=O)(NC(c3cc(CNC(c1ccc(cc 1)c2ncccn2)=O)c(OCCC)cc3)=O)Cc4ccccc4 |
N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide |
| 29771 | JJC | 1 | C27 H23 Cl N4 O4 | InChI=1S/C27H23ClN4O4/c28 -16-24(33)31-21-10-12-22( 13-11-21)32(27(35)23-9-5- 15-36-23)25(20-8-4-14-29- 18-20)26(34)30-17-19-6-2- 1-3-7-19/h1-15,18,25H,16- 17H2,(H,30,34)(H,31,33)/t 25-/m1/s1; YSIFEMHHDRFFOK-RUZDIDTESA-N |
ClCC(=O)Nc1ccc(cc1)N([C@@H](C(=O)NCc2ccc cc2)c3cccnc3)C(=O)c4occc4; c1ccc(cc1)CNC (=O)[C@@H](c2cccnc2)N(c3ccc(cc3)NC(=O)CC l)C(=O)c4ccco4; O=C(N(C(c1cccnc1)C(=O)NC c1ccccc1)c1ccc(NC(=O)CCl)cc1)c1ccco1; c1 ccc(cc1)CNC(=O)C(c2cccnc2)N(c3ccc(cc3)NC (=O)CCl)C(=O)c4ccco4; ClCC(=O)Nc1ccc(cc1 )N([CH](C(=O)NCc2ccccc2)c3cccnc3)C(=O)c4 occc4 |
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(2-chloroacetamido)phenyl]furan-2-carboxamide |
| 29772 | JJD CHEMBL3617969 ZINC000115645958 |
1 | C23 H18 F3 N3 O4 | InChI=1S/C23H18F3N3O4/c1- 13-20(14(2)30)21(16-8-6-1 5(11-27)7-9-16)28(12-19(3 1)32)22(33)29(13)18-5-3-4 -17(10-18)23(24,25)26/h3- 10,21H,12H2,1-2H3,(H,31,3 2)/t21-/m1/s1; RRKQYMJDNSVFCG-OAQYLSRUSA-N |
CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[CH]1c2ccc (cc2)C#N)c3cccc(c3)C(F)(F)F; CC1=C(C(N(C (=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(c c3)C#N)C(=O)C; CC1=C([C@H](N(C(=O)N1c2cc cc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(= O)C; CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[C@@H ]1c2ccc(cc2)C#N)c3cccc(c3)C(F)(F)F |
2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid |
| 29773 | JJE CHEMBL5077508 DB21498 |
1 | C21 H18 Cl F5 N4 O4 | InChI=1S/C21H18ClF5N4O4/c 1-3-30-17(9-32)29-31(20(3 0)34)15-8-16(35-10(2)21(2 5,26)27)11(7-14(15)24)19( 33)28-18-12(22)5-4-6-13(1 8)23/h4-8,10,32H,3,9H2,1- 2H3,(H,28,33)/t10-/m0/s1; KNVJMHHAXCPZHF-JTQLQIEISA-N |
CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(ccc c3Cl)F)OC(C)C(F)(F)F)CO; CCN1C(=NN(C1=O) c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H]( C)C(F)(F)F)CO; CCN1C(=NN(C1=O)c2cc(O[CH] (C)C(F)(F)F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)C O; CCN1C(=NN(C1=O)c2cc(O[C@@H](C)C(F)(F) F)c(cc2F)C(=O)Nc3c(F)cccc3Cl)CO |
~{N}-(2-chloranyl-6-fluoranyl-phenyl)-4-[4-ethyl-3-(hydroxymethyl)-5-oxidanylidene-1,2,4-triazol-1-yl]-5-fluoranyl-2-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]oxy-benzamide; BAY 2402234 |
| 29774 | JJF CHEMBL1450919 ZINC000000434844 |
4 | C13 H15 N3 | InChI=1S/C13H15N3/c1-10-1 3(16-8-4-5-9-16)15-12-7-3 -2-6-11(12)14-10/h2-3,6-7 H,4-5,8-9H2,1H3; IDVIVWNKKBNROO-UHFFFAOYSA-N |
Cc1nc2ccccc2nc1N3CCCC3; Cc1nc2ccccc2nc1N 1CCCC1; Cc1c(nc2ccccc2n1)N3CCCC3 |
2-methyl-3-(pyrrolidin-1-yl)quinoxaline |
| 29775 | JJG ZINC000019811418 |
3 | C12 H17 N O S | InChI=1S/C12H17NOS/c1-2-4 -12(5-3-1)15-11-8-13-6-9- 14-10-7-13/h1-5H,6-11H2; QDTNFZGZGSMNCU-UHFFFAOYSA-N |
c1ccc(cc1)SCCN2CCOCC2; C1CN(CCO1)CCSc2cc ccc2; C1COCCN1CCSc2ccccc2 |
4-[2-(phenylsulfanyl)ethyl]morpholine |
| 29776 | JJH CHEMBL3707376 DB11847 |
0 | C29 H29 F2 N3 O8 | InChI=1S/C29H29F2N3O8/c30 -21-10-19-23(33(16-1-2-16 )13-20(26(19)36)27(37)38) 11-24(21)32-7-5-29(40,6-8 -32)15-41-25-4-3-17(9-22( 25)31)34-12-18(14-35)42-2 8(34)39/h3-4,9-11,13,16,1 8,35,40H,1-2,5-8,12,14-15 H2,(H,37,38)/t18-/m1/s1; XWFCFMXQTBGXQW-GOSISDBHSA-N |
c1cc(c(cc1N2CC(OC2=O)CO)F)OCC3(CCN(CC3)c 4cc5c(cc4F)C(=O)C(=CN5C6CC6)C(=O)O)O; OC [CH]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3)c4c c5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F)c2; OC[C@H]1CN(C(=O)O1)c2ccc(OCC3(O)CCN(CC3 )c4cc5N(C=C(C(O)=O)C(=O)c5cc4F)C6CC6)c(F )c2; c1cc(c(cc1N2C[C@@H](OC2=O)CO)F)OCC3 (CCN(CC3)c4cc5c(cc4F)C(=O)C(=CN5C6CC6)C( =O)O)O |
cadazolid |
| 29777 | JJI | 4 | C24 H20 N8 O7 S5 | InChI=1S/C24H20N8O7S5/c1- 10-22-28-13(6-40-22)19(33 )25-11(2)23-29-15(7-41-23 )21(35)27-16(24-30-14(8-4 2-24)20(34)26-10)9-43-44- 18-4-3-12(31(36)37)5-17(1 8)32(38)39/h3-8,10-11,16H ,9H2,1-2H3,(H,25,33)(H,26 ,34)(H,27,35)/t10-,11-,16 -/m0/s1; MMEXOHZELNPTHF-MMPTUQATSA-N |
CC1c2nc(cs2)C(=O)NC(c3nc(cs3)C(=O)NC(c4n c(cs4)C(=O)N1)CSSc5ccc(cc5[N+](=O)[O-])[ N+](=O)[O-])C; C[C@@H]1NC(=O)c2csc(n2)[C @H](CSSc3ccc(cc3[N+]([O-])=O)[N+]([O-])= O)NC(=O)c4csc(n4)[C@H](C)NC(=O)c5csc1n5; C[C@H]1c2nc(cs2)C(=O)N[C@H](c3nc(cs3)C( =O)N[C@H](c4nc(cs4)C(=O)N1)CSSc5ccc(cc5[ N+](=O)[O-])[N+](=O)[O-])C; C[CH]1NC(=O) c2csc(n2)[CH](CSSc3ccc(cc3[N+]([O-])=O)[ N+]([O-])=O)NC(=O)c4csc(n4)[CH](C)NC(=O) c5csc1n5 |
(4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione |
| 29778 | JJJ ZINC000058650369 |
0 | C9 H10 N2 O3 S | InChI=1S/C9H10N2O3S/c10-7 (8(12)13)5-15-9(14)6-2-1- 3-11-4-6/h1-4,7H,5,10H2,( H,12,13)/t7-/m0/s1; TUTDPGCNTQUCOY-ZETCQYMHSA-N |
c1cc(cnc1)C(=O)SC[C@@H](C(=O)O)N; N[CH]( CSC(=O)c1cccnc1)C(O)=O; N[C@@H](CSC(=O)c 1cccnc1)C(O)=O; O=C(O)C(N)CSC(=O)c1cccnc 1; c1cc(cnc1)C(=O)SCC(C(=O)O)N |
S-(pyridin-3-ylcarbonyl)-L-cysteine |
| 29779 | JJK ZINC000058650371 |
0 | C9 H12 N2 O3 S | InChI=1S/C9H12N2O3S/c10-7 (8(12)13)5-15-9(14)6-2-1- 3-11-4-6/h1-4,7,9,14H,5,1 0H2,(H,12,13)/t7-,9-/m0/s 1; QHZWFSKZAVJVMS-CBAPKCEASA-N |
N[CH](CS[CH](O)c1cccnc1)C(O)=O; c1cc(cnc 1)C(O)SCC(C(=O)O)N; c1cc(cnc1)[C@@H](O)S C[C@@H](C(=O)O)N; N[C@@H](CS[C@H](O)c1cc cnc1)C(O)=O; O=C(O)C(N)CSC(O)c1cccnc1 |
S-[(S)-hydroxy(pyridin-3-yl)methyl]-L-cysteine |
| 29780 | JJL ZINC000058650374 |
0 | C10 H14 N2 O4 S | InChI=1S/C10H14N2O4S/c1-1 6-7-2-6(3-12-4-7)10(15)17 -5-8(11)9(13)14/h2-4,8,10 ,15H,5,11H2,1H3,(H,13,14) /t8-,10-/m0/s1; ZARNOYAJRQCTEJ-WPRPVWTQSA-N |
O=C(O)C(N)CSC(O)c1cncc(OC)c1; COc1cncc(c 1)[CH](O)SC[CH](N)C(O)=O; COc1cc(cnc1)C( O)SCC(C(=O)O)N; COc1cc(cnc1)[C@@H](O)SC[ C@@H](C(=O)O)N; COc1cncc(c1)[C@@H](O)SC[ C@H](N)C(O)=O |
S-[(S)-hydroxy(5-methoxypyridin-3-yl)methyl]-L-cysteine |
| 29781 | JJM CHEMBL1613442 ZINC000001298979 |
9 | C13 H13 N5 | InChI=1S/C13H13N5/c1-9-4- 3-5-10(6-9)17-12-11-7-16- 18(2)13(11)15-8-14-12/h3- 8H,1-2H3,(H,14,15,17); MLUHWTUFJZKUST-UHFFFAOYSA-N |
Cc1cccc(c1)Nc2c3cnn(c3ncn2)C; c32c(Nc1cc cc(C)c1)ncnc2n(nc3)C; Cn1ncc2c(Nc3cccc(C )c3)ncnc12 |
1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 29782 | JJN | 2 | C22 H25 N3 O | InChI=1S/C22H25N3O/c1-21( 11-13-25(2)14-12-21)22-19 (17-9-5-6-10-18(17)23-22) 15-7-3-4-8-16(15)20(26)24 -22/h3-10,19,23H,11-14H2, 1-2H3,(H,24,26)/t19-,22+/ m0/s1; WUVGOCFGNZMOJI-SIKLNZKXSA-N |
CN1CCC(C)(CC1)[C]23NC(=O)c4ccccc4[CH]2c5 ccccc5N3; CC1(CCN(CC1)C)C23C(c4ccccc4C(= O)N2)c5ccccc5N3; CC1(CCN(CC1)C)[C@@]23[C @@H](c4ccccc4C(=O)N2)c5ccccc5N3; CN1CCC( C)(CC1)[C@]23NC(=O)c4ccccc4[C@H]2c5ccccc 5N3 |
(6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one |
| 29783 | JJO | 1 | C27 H23 Cl N4 O4 | InChI=1S/C27H23ClN4O4/c28 -16-24(33)31-21-10-4-11-2 2(15-21)32(27(35)23-12-6- 14-36-23)25(20-9-5-13-29- 18-20)26(34)30-17-19-7-2- 1-3-8-19/h1-15,18,25H,16- 17H2,(H,30,34)(H,31,33)/t 25-/m1/s1; ZBCFNEZKHPWOSY-RUZDIDTESA-N |
c1ccc(cc1)CNC(=O)C(c2cccnc2)N(c3cccc(c3) NC(=O)CCl)C(=O)c4ccco4; ClCC(=O)Nc1cccc( c1)N([CH](C(=O)NCc2ccccc2)c3cccnc3)C(=O) c4occc4; O=C(N(C(c1cccnc1)C(=O)NCc1ccccc 1)c1cccc(NC(=O)CCl)c1)c1ccco1; ClCC(=O)N c1cccc(c1)N([C@@H](C(=O)NCc2ccccc2)c3ccc nc3)C(=O)c4occc4; c1ccc(cc1)CNC(=O)[C@@H ](c2cccnc2)N(c3cccc(c3)NC(=O)CCl)C(=O)c4 ccco4 |
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-[3-(2-chloroacetamido)phenyl]furan-2-carboxamide |
| 29784 | JJP | 3 | C15 H18 N2 O | InChI=1S/C15H18N2O/c1-17- 13-5-3-2-4-10(13)11-6-9-7 -12(15(11)17)14(18)8-16-9 /h2-5,9,12,14,16,18H,6-8H 2,1H3/t9-,12+,14-/m1/s1; QCWXHFWRNWEAIH-LJWDBELGSA-N |
Cn1c2ccccc2c3c1C4CC(C3)NCC4O; Cn1c2ccccc 2c3C[C@@H]4C[C@@H]([C@H](O)CN4)c13; c1c2 c4c(n(C)c2ccc1)C3C(CNC(C3)C4)O; Cn1c2ccc cc2c3C[CH]4C[CH]([CH](O)CN4)c13; Cn1c2cc ccc2c3c1[C@H]4C[C@@H](C3)NC[C@H]4O |
(2S,5S,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol |
| 29785 | JJQ | 1 | C14 H20 N2 | InChI=1S/C14H20N2/c1-12(2 )9-13(3)10-7-5-6-8-11(10) 15-14(13,4)16-12/h5-8,15- 16H,9H2,1-4H3/t13-,14-/m0 /s1; DUUDIYIPNBFHFB-KBPBESRZSA-N |
CC1(CC2(c3ccccc3NC2(N1)C)C)C; CC1(C)C[C] 2(C)c3ccccc3N[C]2(C)N1; CC1(C)C[C@@]2(C) c3ccccc3N[C@@]2(C)N1; C[C@@]12CC(N[C@@]1 (Nc3c2cccc3)C)(C)C |
(3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole |
| 29786 | JJR | 1 | C18 H15 N5 O S | InChI=1S/C18H15N5OS/c1-11 -21-16(10-25-11)23-18-17- 14(5-4-13(9-24)22-17)15(8 -20-18)12-3-2-6-19-7-12/h 2-8,10,24H,9H2,1H3,(H,20, 23); BBZLVHAGWDSQFM-UHFFFAOYSA-N |
Cc1nc(Nc2ncc(c3cccnc3)c3ccc(CO)nc23)cs1; Cc1nc(cs1)Nc2c3c(ccc(n3)CO)c(cn2)c4cccn c4; Cc1scc(Nc2ncc(c3cccnc3)c4ccc(CO)nc24 )n1 |
{8-[(2-methyl-1,3-thiazol-4-yl)amino]-5-(pyridin-3-yl)-1,7-naphthyridin-2-yl}methanol |
| 29787 | JJS CHEMBL3617968 ZINC000115645992 |
1 | C20 H15 F3 N4 O2 | InChI=1S/C20H15F3N4O2/c1- 11-17(12(2)28)18(13-6-7-1 5(9-24)25-10-13)26-19(29) 27(11)16-5-3-4-14(8-16)20 (21,22)23/h3-8,10,18H,1-2 H3,(H,26,29)/t18-/m1/s1; PGIVGIFOWOVINL-GOSISDBHSA-N |
CC(=O)C1=C(C)N(C(=O)N[CH]1c2ccc(nc2)C#N) c3cccc(c3)C(F)(F)F; CC1=C(C(NC(=O)N1c2cc cc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C; CC1 =C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3cc c(nc3)C#N)C(=O)C; CC(=O)C1=C(C)N(C(=O)N[ C@@H]1c2ccc(nc2)C#N)c3cccc(c3)C(F)(F)F |
5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile |
| 29788 | JJT | 3 | C12 H20 N4 O3 | InChI=1S/C12H20N4O3/c13-8 -1-2-10(16(7-8)12(18)19)1 1(17)15-9-3-5-14-6-4-9/h9 -10,13-14H,1-7H2,(H,15,17 )(H,18,19)/t10-/m0/s1; ANYQJLWLEZXFBO-JTQLQIEISA-N |
C1CC(=N)CN([C@@H]1C(=O)NC2CCNCC2)C(=O)O; OC(=O)N1CC(=N)CC[CH]1C(=O)NC2CCNCC2; OC (=O)N1CC(=N)CC[C@H]1C(=O)NC2CCNCC2; C1CC (=N)CN(C1C(=O)NC2CCNCC2)C(=O)O |
(2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid |
| 29789 | JJU CHEMBL5170406 |
2 | C18 H12 F3 N3 O2 | InChI=1S/C18H12F3N3O2/c1- 23-9-14-13-8-10(17(25)26) 2-7-15(13)24(16(14)22-23) 12-5-3-11(4-6-12)18(19,20 )21/h2-9H,1H3,(H,25,26); HUSMWXZHQVTDRU-UHFFFAOYSA-N |
Cn1cc2c3cc(ccc3n(c2n1)c4ccc(cc4)C(F)(F)F )C(=O)O; Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F) (F)F)c2n1)C(O)=O |
2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid |
| 29790 | JJV CHEMBL3617972 ZINC000113172125 |
2 | C21 H15 F3 N4 O3 S | InChI=1S/C21H15F3N4O3S/c1 -12-17(11-26)19(16-7-6-13 (10-25)8-18(16)32(2,30)31 )27-20(29)28(12)15-5-3-4- 14(9-15)21(22,23)24/h3-9, 19H,1-2H3,(H,27,29)/t19-/ m1/s1; WQASVWJQEKONLG-LJQANCHMSA-N |
CC1=C(C(NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc (cc3S(=O)(=O)C)C#N)C#N; CC1=C(C#N)[C@H]( NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3[S]( C)(=O)=O)C#N; CC1=C([C@H](NC(=O)N1c2cccc (c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N ; CC1=C(C#N)[CH](NC(=O)N1c2cccc(c2)C(F)( F)F)c3ccc(cc3[S](C)(=O)=O)C#N |
(6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile |
| 29791 | JJW | 2 | C17 H24 N4 O4 | InChI=1S/C17H24N4O4/c1-2- 24-7-8-25-13-5-3-12(4-6-1 3)14-10-21(20-19-14)11-15 -17(23)16(22)9-18-15/h3-6 ,10,15-18,22-23H,2,7-9,11 H2,1H3/t15-,16+,17-/m0/s1; NXQXJVDZMOHAEW-BBWFWOEESA-N |
CCOCCOc1ccc(cc1)c2cn(nn2)CC3C(C(CN3)O)O; CCOCCOc1ccc(cc1)c2cn(C[CH]3NC[CH](O)[CH ]3O)nn2; CCOCCOc1ccc(cc1)c2cn(C[C@@H]3NC [C@@H](O)[C@H]3O)nn2; CCOCCOc1ccc(cc1)c2 cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O |
(2~{S},3~{S},4~{R})-2-[[4-[4-(2-ethoxyethoxy)phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol |
| 29792 | JJX CHEMBL5661846 ZINC000263620748 |
1 | C29 H29 F3 N6 O2 | InChI=1S/C29H29F3N6O2/c1- 19(2)35-11-13-36(14-12-35 )26(39)18-37-27(22-9-7-21 (16-33)8-10-22)25(17-34)2 0(3)38(28(37)40)24-6-4-5- 23(15-24)29(30,31)32/h4-1 0,15,19,27H,11-14,18H2,1- 3H3/t27-/m1/s1; MJSBQGLWAKMDDF-HHHXNRCGSA-N |
CC(C)N1CCN(CC1)C(=O)CN2[CH](c3ccc(cc3)C# N)C(=C(C)N(C2=O)c4cccc(c4)C(F)(F)F)C#N; CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F) CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N; CC1=C(C(N(C(=O)N1c2cccc(c2)C(F)(F)F)CC( =O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N; CC (C)N1CCN(CC1)C(=O)CN2[C@H](c3ccc(cc3)C#N )C(=C(C)N(C2=O)c4cccc(c4)C(F)(F)F)C#N |
(4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile |
| 29793 | JJY ZINC000000083459 |
4 | C13 H13 N O2 | InChI=1S/C13H13NO2/c15-12 -5-1-3-10-8(12)7-9-11(14- 10)4-2-6-13(9)16/h7H,1-6H 2; ANTYWKFHKPMJLE-UHFFFAOYSA-N |
c1c2c(nc3c1C(=O)CCC3)CCCC2=O; O=C1CCCc2n c3CCCC(=O)c3cc12; C2CC(c3cc1C(=O)CCCc1nc 3C2)=O |
3,4,6,7-tetrahydroacridine-1,8(2H,5H)-dione |
| 29794 | JJZ CHEMBL1084866 ZINC000003083921 |
2 | C25 H20 Cl N3 O2 | InChI=1S/C25H20ClN3O2/c26 -19-8-5-9-20(15-19)28-24( 30)12-13-25(31)29-27-16-2 3-21-10-3-1-6-17(21)14-18 -7-2-4-11-22(18)23/h1-11, 14-16H,12-13H2,(H,28,30)( H,29,31)/b27-16+; OJLFRDWWYAPUAJ-JVWAILMASA-N |
c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)CCC(=O)Nc 4cccc(c4)Cl; Clc4cc(NC(=O)CCC(=O)N/N=C/c 3c1ccccc1cc2ccccc23)ccc4; Clc1cccc(NC(=O )CCC(=O)NN=Cc2c3ccccc3cc4ccccc24)c1; Clc 1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc4cc ccc24)c1 |
4-[2-(anthracen-9-ylmethylidene)hydrazino]-N-(3-chlorophenyl)-4-oxobutanamide |
| 29795 | JK0 | 2 | C27 H31 N3 O3 | InChI=1S/C27H31N3O3/c1-27 (2,3)22-11-13-23(14-12-22 )30(24(32)15-17-31)25(21- 10-7-16-28-19-21)26(33)29 -18-20-8-5-4-6-9-20/h4-14 ,16,19,25,31H,15,17-18H2, 1-3H3,(H,29,33)/t25-/m1/s 1; IEQMNFUCIIDFPY-RUZDIDTESA-N |
CC(C)(C)c1ccc(cc1)N(C(=O)CCO)C(c1cccnc1) C(=O)NCc1ccccc1; CC(C)(C)c1ccc(cc1)N([C@ H](c2cccnc2)C(=O)NCc3ccccc3)C(=O)CCO; CC (C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NCc3cc ccc3)C(=O)CCO; CC(C)(C)c1ccc(cc1)N([CH]( C(=O)NCc2ccccc2)c3cccnc3)C(=O)CCO; CC(C) (C)c1ccc(cc1)N([C@@H](C(=O)NCc2ccccc2)c3 cccnc3)C(=O)CCO |
N-[(1R)-2-(benzylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)-3-hydroxypropanamide |
| 29796 | JK1 CHEMBL1233747 ZINC000039232470 |
1 | C26 H25 N5 O5 | InChI=1S/C26H25N5O5/c1-34 -22-13-19(14-23(35-2)24(2 2)36-3)28-25(32)17-8-7-11 -21(12-17)31-16-20(15-27- 31)30-26(33)29-18-9-5-4-6 -10-18/h4-16H,1-3H3,(H,28 ,32)(H2,29,30,33); RQEFLPVRZJPIAZ-UHFFFAOYSA-N |
O=C(Nc1cc(OC)c(OC)c(OC)c1)c2cccc(c2)n3nc c(c3)NC(=O)Nc4ccccc4; COc1cc(NC(=O)c2ccc c(c2)n3cc(NC(=O)Nc4ccccc4)cn3)cc(OC)c1OC ; COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc (cn3)NC(=O)Nc4ccccc4 |
3-{4-[(phenylcarbamoyl)amino]-1H-pyrazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide; 3-(4-(3-phenylureido)-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide |
| 29797 | JK2 CHEMBL1233748 ZINC000039232571 |
1 | C29 H25 F N4 O4 | InChI=1S/C29H25FN4O4/c1-3 6-26-15-21(16-27(37-2)28( 26)38-3)33-29(35)18-7-6-8 -22(14-18)34-25-12-11-20( 13-19(25)17-31-34)32-24-1 0-5-4-9-23(24)30/h4-17,32 H,1-3H3,(H,33,35); GYQLVKWGHKBDMP-UHFFFAOYSA-N |
Fc1ccccc1Nc2cc3c(cc2)n(nc3)c5cc(C(=O)Nc4 cc(OC)c(OC)c(OC)c4)ccc5; COc1cc(cc(c1OC) OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccc cc5F; COc1cc(NC(=O)c2cccc(c2)n3ncc4cc(Nc 5ccccc5F)ccc34)cc(OC)c1OC |
3-{5-[(2-fluorophenyl)amino]-1H-indazol-1-yl}-N-(3,4,5-trimethoxyphenyl)benzamide |
| 29798 | JK3 CHEMBL1233749 DB08021 ZINC000039258074 |
1 | C18 H17 Br Cl N3 O2 | InChI=1S/C18H17BrClN3O2/c 1-2-8-22-9-11-23(12-10-22 )17-13(20)4-3-5-14(17)21- 18(24)15-6-7-16(19)25-15/ h1,3-7H,8-12H2,(H,21,24); MEFJFXHHHNDHEN-UHFFFAOYSA-N |
O=C(Nc2cccc(Cl)c2N1CCN(CC#C)CC1)c3oc(Br) cc3; C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3c cc(o3)Br; Clc1cccc(NC(=O)c2oc(Br)cc2)c1N 3CCN(CC3)CC#C |
5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide |
| 29799 | JK4 CHEMBL1824859 ZINC000072180060 |
2 | C21 H26 F4 N4 O | InChI=1S/C21H26F4N4O/c1-1 3-7-15(29-19(26)8-13)9-14 -10-28-11-18(14)30-6-5-27 -12-21(24,25)16-3-2-4-17( 22)20(16)23/h2-4,7-8,14,1 8,27-28H,5-6,9-12H2,1H3,( H2,26,29)/t14-,18+/m1/s1; SGDIVHJKRFAKAS-KDOFPFPSSA-N |
Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F )c3cccc(F)c3F)c1; Fc1cccc(c1F)C(F)(F)CNC COC2C(CNC2)Cc3nc(N)cc(c3)C; Cc1cc(nc(c1) N)CC2CNCC2OCCNCC(c3cccc(c3F)F)(F)F; Cc1c c(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc c(c3F)F)(F)F; Cc1cc(N)nc(C[CH]2CNC[CH]2O CCNCC(F)(F)c3cccc(F)c3F)c1 |
6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
| 29800 | JK5 CHEMBL1824858 ZINC000072180949 |
2 | C21 H26 Cl F3 N4 O | InChI=1S/C21H26ClF3N4O/c1 -13-4-18(29-20(26)5-13)6- 14-10-28-11-19(14)30-3-2- 27-12-21(24,25)15-7-16(22 )9-17(23)8-15/h4-5,7-9,14 ,19,27-28H,2-3,6,10-12H2, 1H3,(H2,26,29)/t14-,19+/m 1/s1; WCMZHGFWPJYQKM-KUHUBIRLSA-N |
Fc1cc(cc(Cl)c1)C(F)(F)CNCCOC2C(CNC2)Cc3n c(N)cc(c3)C; Cc1cc(nc(c1)N)C[C@@H]2CNC[C @@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F; Cc1cc( N)nc(C[CH]2CNC[CH]2OCCNCC(F)(F)c3cc(F)cc (Cl)c3)c1; Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2 OCCNCC(F)(F)c3cc(F)cc(Cl)c3)c1; Cc1cc(nc (c1)N)CC2CNCC2OCCNCC(c3cc(cc(c3)Cl)F)(F) F |
6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |