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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 40001 |  RR3 |
2 | C15 H14 N6 O2 S | InChI=1S/C15H14N6O2S/c1-2 1-14-13(8-19-21)17-10-18- 15(14)20-24(22,23)9-12-4- 2-11(3-5-12)6-7-16/h2-5,8 ,10H,6,9H2,1H3,(H,17,18,2 0); MNVMBEGUZDUKJW-UHFFFAOYSA-N |
N#CCc1ccc(cc1)CS(=O)(=O)Nc1ncnc2cnn(C)c1 2; Cn1c2c(cn1)ncnc2NS(=O)(=O)Cc3ccc(cc3) CC#N; Cn1ncc2ncnc(N[S](=O)(=O)Cc3ccc(CC# N)cc3)c12 |
1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide |
| 40002 |  RR5 |
3 | C19 H24 Cl2 N2 O5 S | InChI=1S/C19H24Cl2N2O5S/c 1-3-12-10-22(11(2)19(25)2 6)18(24)17-6-4-5-16(12)23 (17)29(27,28)15-8-13(20)7 -14(21)9-15/h7-9,11-12,16 -17H,3-6,10H2,1-2H3,(H,25 ,26)/t11-,12-,16+,17-/m0/ s1; NNQRIRRUEIVSQY-NQERCMRGSA-N |
CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)( =O)c3cc(cc(c3)Cl)Cl)[C@@H](C)C(=O)O; CCC 1CN(C(=O)C2CCCC1N2S(=O)(=O)c3cc(cc(c3)Cl )Cl)C(C)C(=O)O; CC[C@H]1CN([C@@H](C)C(O) =O)C(=O)[C@@H]2CCC[C@H]1N2[S](=O)(=O)c3c c(Cl)cc(Cl)c3; CC[CH]1CN([CH](C)C(O)=O)C (=O)[CH]2CCC[CH]1N2[S](=O)(=O)c3cc(Cl)cc (Cl)c3 |
(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid; (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid |
| 40003 |  RR6 DB03853 |
1 | C35 H25 N9 O22 S6 | InChI=1S/C35H25N9O22S6/c4 5-24-7-1-14(67(49,50)51)9 -22(24)41-43-28-26(69(55, 56)57)11-18-16(30(28)47)3 -5-20(32(18)71(61,62)63)3 8-34-36-13-37-35(40-34)39 -21-6-4-17-19(33(21)72(64 ,65)66)12-27(70(58,59)60) 29(31(17)48)44-42-23-10-1 5(68(52,53)54)2-8-25(23)4 6/h1-13,45-48H,(H,49,50,5 1)(H,52,53,54)(H,55,56,57 )(H,58,59,60)(H,61,62,63) (H,64,65,66)(H2,36,37,38, 39,40)/b43-41+,44-42+; PJONDRDKCIFXDA-CHQNLTHESA-N |
O=S(=O)(O)c7cc(/N=N/c2c(O)c1ccc(c(c1cc2S (=O)(=O)O)S(=O)(=O)O)Nc3ncnc(n3)Nc4c(c6c (cc4)c(O)c(/N=N/c5cc(ccc5O)S(=O)(=O)O)c( c6)S(=O)(=O)O)S(=O)(=O)O)c(O)cc7; c1cc(c (cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(= O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O )cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(= O)(=O)O)S(=O)(=O)O)O; c1cc(c(cc1S(=O)(=O )O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4n cnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)N= Nc7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)( =O)O)O; Oc1ccc(cc1N=Nc2c(O)c3ccc(Nc4ncnc (Nc5ccc6c(O)c(N=Nc7cc(ccc7O)[S](O)(=O)=O )c(cc6c5[S](O)(=O)=O)[S](O)(=O)=O)n4)c(c 3cc2[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O) =O |
3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID; AZO-DYE RR6 HAPTEN |
| 40004 |  RR7 CHEMBL2208394 ZINC000003860329 |
3 | C6 H12 O5 | InChI=1S/C6H12O5/c7-2-4-6 (10)3(8)1-5(9)11-4/h3-10H ,1-2H2/t3-,4-,5-,6+/m1/s1; PMMURAAUARKVCB-KAZBKCHUSA-N |
C1C(C(C(OC1O)CO)O)O; OC[C@H]1O[C@@H](O)C [C@@H](O)[C@@H]1O; OC[CH]1O[CH](O)C[CH]( O)[CH]1O; C1[C@H]([C@@H]([C@H](O[C@H]1O) CO)O)O; C1(CC(O)C(C(CO)O1)O)O |
2-deoxy-beta-D-arabino-hexopyranose; 2-deoxy-alpha-D-glucopyranose |
| 40005 |  RR8 CHEMBL1221534 ZINC000014210918 |
1 | C24 H22 Cl F N4 O5 S | InChI=1S/C24H22ClFN4O5S/c 1-36(34,35)29-13-18(23(32 )27-16-7-5-15(25)6-8-16)1 9(14-29)24(33)28-21-10-9- 17(12-20(21)26)30-11-3-2- 4-22(30)31/h2-12,18-19H,1 3-14H2,1H3,(H,27,32)(H,28 ,33)/t18-,19-/m0/s1; CUZHVTKMXOGVKA-OALUTQOASA-N |
C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc( cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4; C[ S](=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc (cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)cc4; O =C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3 ccc(Cl)cc3)CN(S(=O)(=O)C)C4; CS(=O)(=O)N 1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C (=O)Nc4ccc(cc4)Cl; CS(=O)(=O)[N@]1C[C@@H ]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O )C(=O)Nc4ccc(cc4)Cl |
(3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOXYLIC ACID 3-[(4-CHLORO-PHENYL)-AMIDE] 4-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYL]-AMIDE} |
| 40006 |  RR9 CHEMBL5575056 |
6 | C23 H28 N8 O2 | InChI=1S/C23H28N8O2/c1-4- 15(12-32)28-23-29-20(19-2 1(30-23)31(13-26-19)14(2) 3)25-11-16-8-9-17(22(33)2 7-16)18-7-5-6-10-24-18/h5 -10,13-15,32H,4,11-12H2,1 -3H3,(H,27,33)(H2,25,28,2 9,30)/t15-/m1/s1; ZZMGLCCXIBNSGN-OAHLLOKOSA-N |
CC[C@H](CO)Nc1nc(NCC2=CC=C(C(=O)N2)c3ccc cn3)c4ncn(C(C)C)c4n1; CC[C@H](CO)Nc1nc(c 2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4cc ccn4; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NC C3=CC=C(C(=O)N3)c4ccccn4; CC[CH](CO)Nc1n c(NCC2=CC=C(C(=O)N2)c3ccccn3)c4ncn(C(C)C )c4n1 |
6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one |
| 40007 |  RRA CHEMBL3263480 ZINC000032098729 |
0 | C3 H5 N | InChI=1S/C3H5N/c1-2-3-4/h 1H,3-4H2; JKANAVGODYYCQF-UHFFFAOYSA-N |
NCC#C; C#CCN | prop-2-yn-1-amine |
| 40008 |  RRB |
2 | C22 H27 N5 O9 S | InChI=1S/C22H27N5O9S/c23- 14-6-12(8-28)7-16-18(14)2 7(10-25-16)22-20(31)19(30 )17(36-22)9-35-37(33,34)2 6-21(32)15(24)5-11-1-3-13 (29)4-2-11/h1-4,6-7,10,15 ,17,19-20,22,28-31H,5,8-9 ,23-24H2,(H,26,32)/t15-,1 7+,19+,20+,22+/m0/s1; BKJCUHPLMCZZDC-JZACSSPNSA-N |
c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H] 2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)C O)N)O)O)N)O; N[CH](Cc1ccc(O)cc1)C(=O)N[S ](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cn c4cc(CO)cc(N)c34; N[C@@H](Cc1ccc(O)cc1)C (=O)N[S](=O)(=O)OC[C@H]2O[C@H]([C@H](O)[ C@@H]2O)n3cnc4cc(CO)cc(N)c34; c1cc(ccc1C C(C(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3c( cc(c4)CO)N)O)O)N)O |
[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate |
| 40009 |  RRC CHEMBL14762 DB06195 ZINC000001649340 |
9 | C19 H26 N6 O | InChI=1S/C19H26N6O/c1-4-1 5(11-26)22-19-23-17(20-10 -14-8-6-5-7-9-14)16-18(24 -19)25(12-21-16)13(2)3/h5 -9,12-13,15,26H,4,10-11H2 ,1-3H3,(H2,20,22,23,24)/t 15-/m1/s1; BTIHMVBBUGXLCJ-OAHLLOKOSA-N |
CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C) c3n1; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NC c3ccccc3; CC[C@H](CO)Nc1nc(c2c(n1)n(cn2) C(C)C)NCc3ccccc3; CC[CH](CO)Nc1nc(NCc2cc ccc2)c3ncn(C(C)C)c3n1; n1c(c2ncn(c2nc1NC (CC)CO)C(C)C)NCc3ccccc3 |
R-ROSCOVITINE |
| 40010 |  RRD |
1 | C24 H21 Cl N4 O4 | InChI=1S/C24H21ClN4O4/c25 -15-5-6-18-19(7-15)20(10- 29(24(18)32)11-22(30)27-1 6-12-33-13-16)23(31)28-21 -9-26-8-14-3-1-2-4-17(14) 21/h1-9,16,20H,10-13H2,(H ,27,30)(H,28,31)/t20-/m1/ s1; BLCZQPHMPCEAIL-HXUWFJFHSA-N |
O=C(CN1CC(C(=O)Nc2cncc3ccccc32)c2cc(Cl)c cc2C1=O)NC1COC1; c1ccc2c(c1)cncc2NC(=O)[ C@@H]3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC5COC 5; Clc1ccc2C(=O)N(C[CH](C(=O)Nc3cncc4ccc cc34)c2c1)CC(=O)NC5COC5; Clc1ccc2C(=O)N( C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O) NC5COC5; c1ccc2c(c1)cncc2NC(=O)C3CN(C(=O )c4c3cc(cc4)Cl)CC(=O)NC5COC5 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40011 |  RRE |
3 | C3 O6 Re | InChI=1S/3CHO.3H2O.Re/c3* 1-2;;;;/h3*1H;3*1H2;/q;;; ;;;+4/p-3; LTJPXUNQIJYHLE-UHFFFAOYSA-K |
O.O.O.[Re+].C=O.C=O.C=O; [C](=O)[Re+]([C ]=O)([C]=O)([O])([O])[O] |
fac-tricarbonyl-triaqua rhenium(I) |
| 40012 |  RRF |
1 | C18 H15 N3 O4 | InChI=1S/C18H15N3O4/c22-1 5-3-1-2-10-11(15)7-12(18( 24)25)16(10)21-17(23)9-4- 5-13-14(6-9)20-8-19-13/h1 -6,8,12,16,22H,7H2,(H,19, 20)(H,21,23)(H,24,25)/t12 -,16+/m1/s1; KTTMBKKRQWCTBJ-WBMJQRKESA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[n H]4)C(=O)O; OC(=O)[C@@H]1Cc2c(O)cccc2[C@ @H]1NC(=O)c3ccc4[nH]cnc4c3; O=C(O)C1Cc2c (cccc2O)C1NC(=O)c1cc2nc[NH]c2cc1; OC(=O) [CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]cn c4c3; c1cc2c(c(c1)O)C[C@H]([C@H]2NC(=O)c 3ccc4c(c3)nc[nH]4)C(=O)O |
(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 40013 |  RRG CHEMBL2312702 ZINC000095597918 |
2 | C24 H24 O3 | InChI=1S/C24H24O3/c1-17(2 )21-10-6-7-11-22(21)19-12 -14-20(15-13-19)27-23(24( 25)26)16-18-8-4-3-5-9-18/ h3-15,17,23H,16H2,1-2H3,( H,25,26)/t23-/m0/s1; LGZFNUULAZCXCA-QHCPKHFHSA-N |
CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)= O)cc2; CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc 3ccccc3)C(=O)O; CC(C)c1ccccc1c2ccc(O[C@@ H](Cc3ccccc3)C(O)=O)cc2; O=C(O)C(Oc1ccc( cc1)c2ccccc2C(C)C)Cc3ccccc3; CC(C)c1cccc c1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O |
(2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid |
| 40014 |  RRH CHEMBL2312703 ZINC000095597509 |
1 | C24 H24 O3 | InChI=1S/C24H24O3/c1-17(2 )21-10-6-7-11-22(21)19-12 -14-20(15-13-19)27-23(24( 25)26)16-18-8-4-3-5-9-18/ h3-15,17,23H,16H2,1-2H3,( H,25,26)/t23-/m1/s1; LGZFNUULAZCXCA-HSZRJFAPSA-N |
CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)= O)cc2; CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3 ccccc3)C(=O)O; CC(C)c1ccccc1c2ccc(O[C@H] (Cc3ccccc3)C(O)=O)cc2; O=C(O)C(Oc1ccc(cc 1)c2ccccc2C(C)C)Cc3ccccc3; CC(C)c1ccccc1 c2ccc(cc2)OC(Cc3ccccc3)C(=O)O |
(2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid |
| 40015 |  RRI CHEMBL3274978 ZINC000000149578 |
1 | C10 H11 N O | InChI=1S/C10H11NO/c1-8(12 )11-7-6-9-4-2-3-5-10(9)11 /h2-5H,6-7H2,1H3; RNTCWULFNYNFGI-UHFFFAOYSA-N |
CC(=O)N1CCc2ccccc12; CC(=O)N1CCc2c1cccc2 | 1-indol-1-ylethanone |
| 40016 |  RRJ |
9 | C6 H11 Cl O5 | InChI=1S/C6H11ClO5/c7-3-2 (1-8)12-6(11)5(10)4(3)9/h 2-6,8-11H,1H2/t2-,3+,4+,5 -,6+/m1/s1; UDOJFSFHKNQOHC-PHYPRBDBSA-N |
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O) O)O)Cl)O; OC[C@H]1O[C@H](O)[C@H](O)[C@@H ](O)[C@H]1Cl; OC[CH]1O[CH](O)[CH](O)[CH] (O)[CH]1Cl; C(C1C(C(C(C(O1)O)O)O)Cl)O; O C1C(C(C(C(O1)CO)Cl)O)O |
4-chloro-4-deoxy-alpha-D-galactopyranose |
| 40017 |  RRK CHEMBL381340 ZINC000091684259 |
0 | C14 H16 N2 | InChI=1S/C14H16N2/c15-13( 11-7-3-1-4-8-11)14(16)12- 9-5-2-6-10-12/h1-10,13-14 H,15-16H2/t13-,14-/m1/s1; PONXTPCRRASWKW-ZIAGYGMSSA-N |
c1ccc(cc1)[C@H]([C@@H](c2ccccc2)N)N; N[C @@H]([C@H](N)c1ccccc1)c2ccccc2; N[CH]([C H](N)c1ccccc1)c2ccccc2; C(C(c1ccccc1)N)( c2ccccc2)N; c1ccc(cc1)C(C(c2ccccc2)N)N |
(1R,2R)-1,2-diphenylethane-1,2-diamine |
| 40018 |  RRM ZINC000263621262 |
2 | C32 H48 O7 | InChI=1S/C32H48O7/c1-6-7- 8-26-18-20-32(39-29(26)15 -11-23(3)21-31(36)37)19-1 7-25(5)28(38-32)14-10-22( 2)9-13-27(33)24(4)12-16-3 0(34)35/h9-13,15-16,21,24 -29,33H,6-8,14,17-20H2,1- 5H3,(H,34,35)(H,36,37)/b1 3-9+,15-11+,16-12+,22-10+ ,23-21+/t24-,25-,26-,27-, 28+,29-,32-/m0/s1; YEZCSKCHOPBNCC-OXNFKLAGSA-N |
O=C(O)\C=C\C(C)C(O)/C=C/C(=C/CC2OC1(OC(\ C=C\C(=C\C(=O)O)C)C(CC1)CCCC)CCC2C)C; CC CC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C( \C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C) O[C@H]1/C=C/C(=C/C(=O)O)/C; CCCC[CH]1CC[ C]2(CC[CH](C)[CH](CC=C(C)C=C[CH](O)[CH]( C)C=CC(O)=O)O2)O[CH]1C=CC(C)=CC(O)=O; CC CCC1CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(= O)O)O)C)OC1C=CC(=CC(=O)O)C; CCCC[C@H]1CC [C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H ](O)[C@@H](C)/C=C/C(O)=O)O2)O[C@H]1/C=C/ C(C)=C/C(O)=O |
(2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid |
| 40019 |  RRO ZINC000001666478 |
2 | C5 H3 Br N2 O4 | InChI=1S/C5H3BrN2O4/c6-1- 2(4(10)11)7-5(12)8-3(1)9/ h(H,10,11)(H2,7,8,9,12); YQYHIPBLZSIHDI-UHFFFAOYSA-N |
O=C1NC(C(=O)O)=C(Br)C(=O)N1; C1(=C(NC(=O )NC1=O)C(=O)O)Br; OC(=O)C1=C(Br)C(=O)NC( =O)N1 |
5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid; 5-bromoorotic acid |
| 40020 |  RRP CHEMBL351298 DB08487 ZINC000002047642 |
1 | C20 H19 Cl N4 O3 S2 | InChI=1S/C20H19ClN4O3S2/c 21-16-5-4-14-9-19(29-17(1 4)10-16)30(27,28)25-7-6-2 4(18(26)12-25)11-13-2-1-3 -15(8-13)20(22)23/h1-5,8- 10H,6-7,11-12H2,(H3,22,23 ); PRMSFVUWLBPPLY-UHFFFAOYSA-N |
c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O) (=O)c3cc4ccc(cc4s3)Cl; O=C2N(Cc1cc(C(=[N @H])N)ccc1)CCN(C2)S(=O)(=O)c4sc3cc(Cl)cc c3c4; c1cc(cc(c1)C(=N)N)CN2CCN(CC2=O)S(= O)(=O)c3cc4ccc(cc4s3)Cl; NC(=N)c1cccc(CN 2CCN(CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3) c1 |
3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE |
| 40021 |  RRQ ZINC000584905648 |
1 | C33 H41 Cl N4 O6 S2 | InChI=1S/C33H41ClN4O6S2/c 1-35-32-20-26(8-15-31(32) 33(39)40)22-37(21-25-16-1 8-36-19-17-25)45(41,42)29 -11-13-30(14-12-29)46(43, 44)38(28-4-2-3-5-28)23-24 -6-9-27(34)10-7-24/h6-15, 20,25,28,35-36H,2-5,16-19 ,21-23H2,1H3,(H,39,40); AAUHXDBDDJEFRE-UHFFFAOYSA-N |
CNc1cc(CN(CC2CCNCC2)[S](=O)(=O)c3ccc(cc3 )[S](=O)(=O)N(Cc4ccc(Cl)cc4)C5CCCC5)ccc1 C(O)=O; CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S (=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4) Cl)C5CCCC5 |
4-[[[4-[(4-chlorophenyl)methyl-cyclopentyl-sulfamoyl]phenyl]sulfonyl-(piperidin-4-ylmethyl)amino]methyl]-2-(methylamino)benzoic acid |
| 40022 |  RRR DB08488 ZINC000006183120 |
1 | C18 H17 Cl N4 O3 S2 | InChI=1S/C18H17ClN4O3S2/c 19-17-2-1-15(27-17)4-8-28 (25,26)23-7-6-22(18(24)12 -23)11-14-9-13-10-20-5-3- 16(13)21-14/h1-5,8-10,21H ,6-7,11-12H2/b8-4+; PLWVUIRWJVKSSD-XBXARRHUSA-N |
Clc4sc(/C=C/S(=O)(=O)N3CC(=O)N(Cc2cc1cnc cc1n2)CC3)cc4; c1cc(sc1\C=C\S(=O)(=O)[N@ ]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl; Clc1 sc(cc1)C=C[S](=O)(=O)N2CCN(Cc3[nH]c4ccnc c4c3)C(=O)C2; Clc1sc(cc1)/C=C/[S](=O)(=O )N2CCN(Cc3[nH]c4ccncc4c3)C(=O)C2; c1cc(s c1C=CS(=O)(=O)N2CCN(C(=O)C2)Cc3cc4cnccc4 [nH]3)Cl |
4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE |
| 40023 |  RRS CHEMBL281795 DB08489 ZINC000003811057 |
1 | C25 H36 N4 O4 | InChI=1S/C25H36N4O4/c1-17 (2)13-18(15-23(30)28-33)2 4(31)27-21-14-19-16-29(22 -10-6-5-9-20(19)22)12-8-4 -3-7-11-26-25(21)32/h5-6, 9-10,16-18,21,33H,3-4,7-8 ,11-15H2,1-2H3,(H,26,32)( H,27,31)(H,28,30)/t18-,21 +/m1/s1; GCBPAPVOMPJQHK-NQIIRXRSSA-N |
O=C(NO)CC(C(=O)NC3C(=O)NCCCCCCn2c1ccccc1 c(c2)C3)CC(C)C; CC(C)C[C@H](CC(=O)NO)C(= O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O; CC (C)C[CH](CC(=O)NO)C(=O)N[CH]1Cc2cn(CCCCC CNC1=O)c3ccccc23; CC(C)C[C@H](CC(=O)NO)C (=O)N[C@H]1Cc2cn(CCCCCCNC1=O)c3ccccc23; CC(C)CC(CC(=O)NO)C(=O)NC1Cc2cn(c3c2cccc3 )CCCCCCNC1=O |
N4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE |
| 40024 |  RRT CHEMBL45412 DB01935 |
1 | C12 H15 N O3 S | InChI=1S/C12H15NO3S/c14-1 1(7-12(15)16)13-10(8-17)6 -9-4-2-1-3-5-9/h1-5,10,17 H,6-8H2,(H,13,14)(H,15,16 )/t10-/m1/s1; REPVVNYZORKKPQ-SNVBAGLBSA-N |
c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O; O=C(O )CC(=O)NC(Cc1ccccc1)CS; c1ccc(cc1)CC(CS) NC(=O)CC(=O)O; OC(=O)CC(=O)N[CH](CS)Cc1c cccc1; OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1 |
(R)-RETRO-THIORPHAN; 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID |
| 40025 |  RRU |
1 | C26 H23 Cl N4 O3 S | InChI=1S/C26H23ClN4O3S/c2 7-20-6-5-19-14-30(35(33,3 4)17-25(15-28)7-8-25)16-2 6(22(19)11-20)9-10-31(24( 26)32)23-13-29-12-18-3-1- 2-4-21(18)23/h1-6,11-13H, 7-10,14,16-17H2/t26-/m1/s 1; ZFIJDHJQBMZSSD-AREMUKBSSA-N |
Clc1ccc2CN(C[C@]3(CCN(C3=O)c4cncc5ccccc4 5)c2c1)[S](=O)(=O)CC6(CC6)C#N; c1ccc2c(c 1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(= O)(=O)CC6(CC6)C#N; Clc1ccc2CN(C[C]3(CCN( C3=O)c4cncc5ccccc45)c2c1)[S](=O)(=O)CC6( CC6)C#N; c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O )CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N; N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C CN(C2=O)c2cncc3ccccc32)C1 |
1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile |
| 40026 |  RRV ZINC000219656766 |
2 | C16 H25 N O4 | InChI=1S/C16H25NO4/c1-16( 2,11-18)14(20)15(21)17-9- 8-13(19)10-12-6-4-3-5-7-1 2/h3-7,13-14,18-20H,8-11H 2,1-2H3,(H,17,21)/t13-,14 +/m1/s1; VPOXPYKLLDGWBA-KGLIPLIRSA-N |
CC(C)(CO)C(C(=O)NCCC(Cc1ccccc1)O)O; O=C( NCCC(O)Cc1ccccc1)C(O)C(C)(C)CO; CC(C)(CO )[C@@H](O)C(=O)NCC[C@@H](O)Cc1ccccc1; CC (C)(CO)[C@H](C(=O)NCC[C@H](Cc1ccccc1)O)O ; CC(C)(CO)[CH](O)C(=O)NCC[CH](O)Cc1cccc c1 |
(2R)-2,4-dihydroxy-N-[(3S)-3-hydroxy-4-phenylbutyl]-3,3-dimethylbutanamide |
| 40027 |  RRW |
1 | C19 H29 N5 O8 S | InChI=1S/C19H29N5O8S/c1-9 (2)3-12(21)18(28)23-33(29 ,30)31-7-14-16(26)17(27)1 9(32-14)24-8-22-13-5-10(6 -25)4-11(20)15(13)24/h4-5 ,8-9,12,14,16-17,19,25-27 H,3,6-7,20-21H2,1-2H3,(H, 23,28)/t12-,14+,16+,17+,1 9+/m0/s1; KLFPFKQOJXUPER-MVGUPFISSA-N |
CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@ H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N) O)O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[ CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N )c23; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O 1)n2cnc3c2c(cc(c3)CO)N)O)O)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)n2cnc3cc(CO)cc(N)c23 |
[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate |
| 40028 |  RRX DB15914 ZINC000004097702 |
102 | C40 H56 O | InChI=1S/C40H56O/c1-30(18 -13-20-32(3)23-25-37-34(5 )22-15-27-39(37,7)8)16-11 -12-17-31(2)19-14-21-33(4 )24-26-38-35(6)28-36(41)2 9-40(38,9)10/h11-14,16-21 ,23-26,36,41H,15,22,27-29 H2,1-10H3/b12-11+,18-13+, 19-14+,25-23+,26-24+,30-1 6+,31-17+,32-20+,33-21+/t 36-/m1/s1; DMASLKHVQRHNES-FKKUPVFPSA-N |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C )C=CC=C(C)C=CC2=C(CC(CC2(C)C)O)C)C)C; CC (=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C @@H](O)CC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)CC CC2(C)C; CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C( C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCC C2(C)C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/ C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[ C@H](CC2(C)C)O)C)/C)/C; OC2CC(=C(\C=C\C( =C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C )CCCC1(C)C)C)C)C)C)C(C)(C)C2)C |
(3R)-beta,beta-caroten-3-ol; beta-Cryptoxanthin |
| 40029 |  RRY |
10 | C6 H10 Cl2 O4 | InChI=1S/C6H10Cl2O4/c7-1- 3-4(9)5(10)6(11,2-8)12-3/ h3-5,9-11H,1-2H2/t3-,4-,5 +,6-/m1/s1; DPQRLGLZWCGBGE-ARQDHWQXSA-N |
OC1C(O)C(CCl)OC1(CCl)O; O[CH]1[CH](O)[C] (O)(CCl)O[CH]1CCl; O[C@H]1[C@H](O)[C@@]( O)(CCl)O[C@@H]1CCl; C(C1C(C(C(O1)(CCl)O) O)O)Cl; C([C@@H]1[C@H]([C@@H]([C@](O1)(C Cl)O)O)O)Cl |
1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose |
| 40030 |  RRZ CHEMBL4072643 |
1 | C18 H20 Cl2 N2 O5 S | InChI=1S/C18H20Cl2N2O5S/c 1-2-11-9-21(10-17(23)24)1 8(25)16-5-3-4-15(11)22(16 )28(26,27)14-7-12(19)6-13 (20)8-14/h2,6-8,11,15-16H ,1,3-5,9-10H2,(H,23,24)/t 11-,15+,16-/m0/s1; CWGQECKQFWBWHJ-XZJROXQQSA-N |
C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O) (=O)c3cc(cc(c3)Cl)Cl)CC(=O)O; OC(=O)CN1C [CH](C=C)[CH]2CCC[CH](N2[S](=O)(=O)c3cc( Cl)cc(Cl)c3)C1=O; OC(=O)CN1C[C@H](C=C)[C @H]2CCC[C@H](N2[S](=O)(=O)c3cc(Cl)cc(Cl) c3)C1=O; C=CC1CN(C(=O)C2CCCC1N2S(=O)(=O) c3cc(cc(c3)Cl)Cl)CC(=O)O |
2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]ethanoic acid; ((1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)acetic acid |
| 40031 |  RS0 |
1 | C18 H15 N3 O4 | InChI=1S/C18H15N3O4/c22-1 5-3-1-2-10-11(15)7-12(18( 24)25)16(10)21-17(23)9-4- 5-13-14(6-9)20-8-19-13/h1 -6,8,12,16,22H,7H2,(H,19, 20)(H,21,23)(H,24,25)/t12 -,16+/m0/s1; KTTMBKKRQWCTBJ-BLLLJJGKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)nc[n H]4)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([C@@H] 2NC(=O)c3ccc4c(c3)nc[nH]4)C(=O)O; OC(=O) [C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3ccc4[nH] cnc4c3; O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1cc 2nc[NH]c2cc1; OC(=O)[CH]1Cc2c(O)cccc2[CH ]1NC(=O)c3ccc4[nH]cnc4c3 |
(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid |
| 40032 |  RS1 CHEMBL440498 DB08490 ZINC000001488366 |
2 | C19 H20 Cl N O6 S | InChI=1S/C19H20ClNO6S/c20 -14-1-3-15(4-2-14)27-16-5 -7-17(8-6-16)28(24,25)13- 19(18(22)21-23)9-11-26-12 -10-19/h1-8,23H,9-13H2,(H ,21,22); ROSNVSQTEGHUKU-UHFFFAOYSA-N |
c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOC C3)C(=O)NO; ONC(=O)C1(CCOCC1)C[S](=O)(=O )c2ccc(Oc3ccc(Cl)cc3)cc2; O=S(=O)(c2ccc( Oc1ccc(Cl)cc1)cc2)CC3(C(=O)NO)CCOCC3 |
4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE |
| 40033 |  RS2 CHEMBL1235735 DB08491 ZINC000003873598 |
1 | C19 H21 N O6 S | InChI=1S/C19H21NO6S/c21-1 8(20-22)14-19(10-12-25-13 -11-19)27(23,24)17-8-6-16 (7-9-17)26-15-4-2-1-3-5-1 5/h1-9,22H,10-14H2,(H,20, 21); ARIRIZBKMKMEBD-UHFFFAOYSA-N |
ONC(=O)CC1(CCOCC1)[S](=O)(=O)c2ccc(Oc3cc ccc3)cc2; O=S(=O)(c2ccc(Oc1ccccc1)cc2)C3 (CC(=O)NO)CCOCC3; c1ccc(cc1)Oc2ccc(cc2)S (=O)(=O)C3(CCOCC3)CC(=O)NO |
N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE |
| 40034 |  RS3 CHEMBL1235736 ZINC000035653106 |
18 | C18 H23 N5 O6 | InChI=1S/C18H23N5O6/c1-8- 4-9-11(5-10(8)22(2)3)23(6 -12(25)15(27)13(26)7-24)1 6-14(19-9)17(28)21-18(29) 20-16/h4-5,12-13,15,24-27 H,6-7H2,1-3H3,(H,21,28,29 )/t12-,13+,15-/m0/s1; IGQLDUYTWDABFK-GUTXKFCHSA-N |
O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C) CC(O)C(O)C(O)CO; CN(C)c1cc2N(C[CH](O)[CH ](O)[CH](O)CO)C3=NC(=O)NC(=O)C3=Nc2cc1C; Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2 )CC(C(C(CO)O)O)O; CN(C)c1cc2N(C[C@H](O)[ C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=Nc2c c1C; Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C 3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O |
1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol; Roseoflavin |
| 40035 |  RS4 CHEMBL837 DB05482 ZINC000004099013 |
2 | C22 H20 N2 O5 | InChI=1S/C22H20N2O5/c1-3- 12-13-7-11(25)5-6-17(13)2 3-19-14(12)9-24-18(19)8-1 6-15(20(24)26)10-29-21(27 )22(16,28)4-2/h5-8,25,28H ,3-4,9-10H2,1-2H3/t22-/m0 /s1; FJHBVJOVLFPMQE-QFIPXVFZSA-N |
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)[ C@@](O)(CC)C(=O)OC4; CCc1c2cc(ccc2nc3c1C N4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O; c32c(C C)c1c(ccc(c1)O)nc2C=4N(C3)C(C5=C(C=4)C(C (OC5)=O)(CC)O)=O; CCc1c2CN3C(=O)C4=C(C=C 3c2nc5ccc(O)cc15)[C](O)(CC)C(=O)OC4; CCc 1c2cc(ccc2nc3c1CN4C3=CC5=C(C4=O)COC(=O)[ C@@]5(CC)O)O |
7-ethyl-10-hydroxycamptothecin; (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione |
| 40036 |  RS5 CHEMBL258721 ZINC000029056064 |
6 | C23 H22 Cl2 N4 O3 | InChI=1S/C23H22Cl2N4O3/c1 -13(2)20-19-22(29(28-20)2 1-16(24)4-3-5-17(21)25)26 -18(27-23(19)31)12-14-6-8 -15(9-7-14)32-11-10-30/h3 -9,13,30H,10-12H2,1-2H3,( H,26,27,31); RSQPNXBTPUXMQN-UHFFFAOYSA-N |
CC(C)c1c2c(n(n1)c3c(cccc3Cl)Cl)N=C(NC2=O )Cc4ccc(cc4)OCCO; CC(C)c1nn(c2N=C(Cc3ccc (OCCO)cc3)NC(=O)c12)c4c(Cl)cccc4Cl |
1-[2,6-bis(chloranyl)phenyl]-6-[[4-(2-hydroxyethyloxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one |
| 40037 |  RS6 |
2 | C24 H22 Cl F N4 O3 | InChI=1S/C24H22ClFN4O3/c1 -13(2)28-22(31)12-30-11-2 0(19-8-15(25)3-5-18(19)24 (30)33)23(32)29-21-10-27- 9-14-7-16(26)4-6-17(14)21 /h3-10,13,20H,11-12H2,1-2 H3,(H,28,31)(H,29,32)/t20 -/m1/s1; MMRWQEDBDJLRBA-HXUWFJFHSA-N |
CC(C)NC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)N c3cncc4c3ccc(c4)F; CC(C)NC(=O)CN1C[C@@H] (C(=O)Nc2cncc3cc(F)ccc23)c4cc(Cl)ccc4C1= O; Fc1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC( C)C)C(=O)c2ccc(Cl)cc21; CC(C)NC(=O)CN1C[ C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc (c4)F; CC(C)NC(=O)CN1C[CH](C(=O)Nc2cncc3 cc(F)ccc23)c4cc(Cl)ccc4C1=O |
(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40038 |  RS7 DB08492 ZINC000016052338 |
2 | C17 H20 O2 | InChI=1S/C17H20O2/c1-2-3- 4-5-6-7-10-15-11-8-9-12-1 6(15)13-14-17(18)19/h8-9, 11-14H,2-6H2,1H3,(H,18,19 )/b14-13+; KRDSGPLHVQJFLM-BUHFOSPRSA-N |
CCCCCCC#Cc1ccccc1C=CC(=O)O; CCCCCCC#Cc1c cccc1C=CC(O)=O; CCCCCCC#Cc1ccccc1/C=C/C( O)=O; O=C(O)\C=C\c1ccccc1C#CCCCCCC; CCCC CCC#Cc1ccccc1\C=C\C(=O)O |
(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID |
| 40039 |  RS8 CHEMBL2314137 ZINC000095596304 |
2 | C18 H17 N7 O5 | InChI=1S/C18H17N7O5/c19-1 8-24-14-13(16(28)25-18)20 -7-11(23-14)15(27)21-8-12 (26)22-10(17(29)30)6-9-4- 2-1-3-5-9/h1-5,7,10H,6,8H 2,(H,21,27)(H,22,26)(H,29 ,30)(H3,19,23,24,25,28)/t 10-/m0/s1; XYQCEJDIFQQSAN-JTQLQIEISA-N |
c1ccc(cc1)CC(C(=O)O)NC(=O)CNC(=O)c2cnc3c (n2)NC(=NC3=O)N; NC1=NC(=O)c2ncc(nc2N1)C (=O)NCC(=O)N[CH](Cc3ccccc3)C(O)=O; c1ccc (cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c (n2)NC(=NC3=O)N; NC1=NC(=O)c2ncc(nc2N1)C (=O)NCC(=O)N[C@@H](Cc3ccccc3)C(O)=O; O=C (O)C(NC(=O)CNC(=O)c1nc2c(nc1)C(=O)N=C(N) N2)Cc3ccccc3 |
N-[(2-amino-4-oxo-1,4-dihydropteridin-7-yl)carbonyl]glycyl-L-phenylalanine |
| 40040 |  RS9 |
1 | C19 H17 N3 O5 | InChI=1S/C19H17N3O5/c23-8 -16-20-13-5-4-9(6-14(13)2 1-16)18(25)22-17-10-2-1-3 -15(24)11(10)7-12(17)19(2 6)27/h1-6,12,17,23-24H,7- 8H2,(H,20,21)(H,22,25)(H, 26,27)/t12-,17-/m0/s1; CXHYRAPCOSLYMC-SJCJKPOMSA-N |
OCc1[nH]c2ccc(cc2n1)C(=O)N[C@@H]3[C@H](C c4c(O)cccc34)C(O)=O; c1cc2c(c(c1)O)CC(C2 NC(=O)c3ccc4c(c3)nc([nH]4)CO)C(=O)O; OCc 1[nH]c2ccc(cc2n1)C(=O)N[CH]3[CH](Cc4c(O) cccc34)C(O)=O; O=C(O)C1Cc2c(cccc2O)C1NC( =O)c1cc2nc(CO)[NH]c2cc1; c1cc2c(c(c1)O)C [C@@H]([C@H]2NC(=O)c3ccc4c(c3)nc([nH]4)C O)C(=O)O |
(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid |
| 40041 |  RSA CHEMBL1235738 DB03894 ZINC000019875505 |
10 | C12 H13 N | InChI=1S/C12H13N/c1-2-9-1 3-12-8-7-10-5-3-4-6-11(10 )12/h1,3-6,12-13H,7-9H2/t 12-/m0/s1; RUOKEQAAGRXIBM-LBPRGKRZSA-N |
C#CCNC1CCc2c1cccc2; C#CCNC2c1ccccc1CC2; C#CCN[CH]1CCc2ccccc12; C#CCN[C@H]1CCc2c1 cccc2; C#CCN[C@H]1CCc2ccccc12 |
N-PROPARGYL-1(S)-AMINOINDAN |
| 40042 |  RSB |
1 | C24 H28 N4 O4 S2 | InChI=1S/C24H28N4O4S2/c1- 16(19-6-3-4-11-25-19)27-1 3-17(14-32-2)21-7-5-8-22( 24(27)29)28(21)34(30,31)1 8-9-10-20-23(12-18)33-15- 26-20/h3-4,6,9-12,15-17,2 1-22H,5,7-8,13-14H2,1-2H3 /t16-,17+,21+,22-/m0/s1; KWBWMGZANKQLDI-DVRVPYBTSA-N |
COC[CH]1CN([CH](C)c2ccccn2)C(=O)[CH]3CCC [CH]1N3[S](=O)(=O)c4ccc5ncsc5c4; CC(c1cc ccn1)N2CC(C3CCCC(C2=O)N3S(=O)(=O)c4ccc5c (c4)scn5)COC; C[C@@H](c1ccccn1)N2C[C@@H] ([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4ccc5c (c4)scn5)COC; COC[C@H]1CN([C@@H](C)c2ccc cn2)C(=O)[C@@H]3CCC[C@H]1N3[S](=O)(=O)c4 ccc5ncsc5c4 |
(1S,5S,6R)-10-(benzo[d]thiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-(pyridin-2-ylethyl)-3,10-diazabicyclo[4.3.1]decan-2-one; (1~{S},5~{S},6~{R})-10-(1,3-benzothiazol-6-ylsulfonyl)-5-(methoxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one |
| 40043 |  RSD |
0 | C51 H75 N2 O22 | InChI=1S/C51H74N2O22/c1-1 9-37(58)49(6,61)42(66-12) 45(69-19)73-36-27-22(17-4 8(5,60)41(36)65-11)16-24- 28(32(27)55)33(56)29-23(3 1(24)54)14-15-25-35(29)72 -44-34(57)30(52(9)10)40(5 1(25,8)75-44)71-26-18-47( 4,53(63)64)39(21(3)68-26) 74-46-43(67-13)50(7,62)38 (59)20(2)70-46/h14-15,19- 21,23,25-26,30,32,34,36-4 6,55,57-62H,16-18H2,1-13H 3/p+1/t19-,20-,21+,23+,25 -,26-,30-,32+,34-,36+,37- ,38-,39+,40-,41-,42-,43-, 44+,45-,46-,47-,48-,49+,5 0+,51+/m0/s1; FSWSNADWNSVMLC-CABLNRLVSA-O |
CC1C(C(C(C(O1)OC2C(C(CC3=C2C(C4=C(C3)C(= O)C5C=CC6C(=C5C4=O)OC7C(C(C(C6(O7)C)OC8C C(C(C(O8)C)OC9C(C(C(C(O9)C)O)(C)O)OC)(C) [N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C )O)O; CO[CH]1[CH](O[CH](C)[CH](O)[C]1(C) O)O[CH]2[CH](OC)[C](C)(O)CC3=C2[CH](O)C4 =C(C3)C(=O)[CH]5C=C[CH]6C(=C5C4=O)O[CH]7 O[C]6(C)[CH](O[CH]8C[C](C)([CH](O[CH]9O[ CH](C)[CH](O)[C](C)(O)[CH]9OC)[CH](C)O8) [N+]([O-])=O)[CH]([CH]7O)[NH+](C)C; CO[C @H]1[C@@H](O[C@@H](C)[C@H](O)[C@@]1(C)O) O[C@H]2[C@H](OC)[C@@](C)(O)CC3=C2[C@@H]( O)C4=C(C3)C(=O)[C@@H]5C=C[C@H]6C(=C5C4=O )O[C@@H]7O[C@@]6(C)[C@@H](O[C@H]8C[C@@]( C)([C@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@] (C)(O)[C@H]9OC)[C@@H](C)O8)[N+]([O-])=O) [C@H]([C@@H]7O)[NH+](C)C; C[C@H]1[C@@H]( [C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@ ](CC3=C2C(C4=C(C3)C(=O)C5C=CC6C(=C5C4=O) O[C@H]7[C@H]([C@@H]([C@@H]([C@@]6(O7)C)O [C@H]8C[C@]([C@@H]([C@H](O8)C)O[C@H]9[C@ @H]([C@]([C@H]([C@@H](O9)C)O)(C)O)OC)(C) [N+](=O)[O-])[NH+](C)C)O)O)(C)O)OC)OC)(C )O)O; [O-][N+](=O)C2(C)CC(OC(C)C2OC1OC(C )C(O)C(O)(C)C1OC)OC5C(C(O)C4OC3=C6C(=O)C 9=C(C(=O)C6C=CC3C5(O4)C)CC8=C(C(OC7OC(C) C(O)C(O)(C)C7OC)C(OC)C(O)(C)C8)C9O)[NH+] (C)C |
RESPINOMYCIN D |
| 40044 |  RSE |
4 | C12 H21 N5 O13 P3 Se | InChI=1S/C12H20N5O13P3Se/ c1-16-4-17(9-6(16)10(19)1 5-12(13)14-9)11-8(26-2)7( 18)5(28-11)3-27-32(23,24) 30-33(25,34)29-31(20,21)2 2/h4-5,7-8,11,18H,3H2,1-2 H3,(H6-,13,14,15,19,20,21 ,22,23,24,25,34)/p+1/t5-, 7-,8-,11-,33-/m1/s1; FCPLZYTYUZTIIR-ZRDSBRMSSA-O |
CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(=O)O[P@ @]([SeH])(=O)O[P](O)(O)=O)O[C@H]1n2c[n+] (C)c3C(=O)NC(=Nc23)N; C[n+]1cn(c2c1C(=O) NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(OP( =O)(O)O)[SeH])O)OC; CO[CH]1[CH](O)[CH](C O[P](O)(=O)O[P]([SeH])(=O)O[P](O)(O)=O)O [CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N; C[n+]1 cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H] ([C@H](O3)COP(=O)(O)O[P@@](=O)(OP(=O)(O) O)[SeH])O)OC |
[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate |
| 40045 |  RSF ZINC000058633067 |
13 | C6 H10 O3 | InChI=1S/C6H10O3/c7-5-3-9 -6-4(5)1-2-8-6/h4-7H,1-3H 2/t4-,5-,6+/m0/s1; RCDXYCHYMULCDZ-HCWXCVPCSA-N |
O[CH]1CO[CH]2OCC[CH]12; C1CO[C@H]2C1[C@H ](CO2)O; C1COC2C1C(CO2)O; O[C@H]1CO[C@H] 2OCC[C@@H]12; OC1COC2OCCC12 |
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-ol |
| 40046 |  RSG ZINC000022012705 |
8 | C6 H10 O3 | InChI=1S/C6H10O3/c7-5-3-9 -6-4(5)1-2-8-6/h4-7H,1-3H 2/t4-,5-,6+/m1/s1; RCDXYCHYMULCDZ-PBXRRBTRSA-N |
O[CH]1CO[CH]2OCC[CH]12; C1COC2C1C(CO2)O; O[C@@H]1CO[C@@H]2OCC[C@H]12; C1CO[C@@H] 2[C@H]1[C@@H](CO2)O; OC1COC2OCCC12 |
(3S,3aR,6aS)-hexahydrofuro[2,3-b]furan-3-ol |
| 40047 |  RSH DB02807 ZINC000001696607 |
8 | C6 H12 O6 | InChI=1S/C6H12O6/c7-2-5(1 0)3(8)1-4(9)6(11)12/h3-5, 7-10H,1-2H2,(H,11,12)/t3- ,4+,5-/m1/s1; YGMNHEPVTNXLLS-MROZADKFSA-N |
OC[CH](O)[CH](O)C[CH](O)C(O)=O; OC[C@@H] (O)[C@H](O)C[C@H](O)C(O)=O; C(C(C(CO)O)O )C(C(=O)O)O; C([C@H]([C@@H](CO)O)O)[C@@H ](C(=O)O)O; O=C(O)C(O)CC(O)C(O)CO |
3-DEOXY-D-LYXO-HEXONIC ACID; D-2-KETO-3-DEOXYGALACTONATE |
| 40048 |  RSI |
6 | C24 H27 N7 O | InChI=1S/C24H27N7O/c1-17( 2)31-16-27-21-22(28-24(29 -23(21)31)30-11-13-32-14- 12-30)26-15-18-6-8-19(9-7 -18)20-5-3-4-10-25-20/h3- 10,16-17H,11-15H2,1-2H3,( H,26,28,29); LQFDMFLOSFCOEO-UHFFFAOYSA-N |
CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc1 2)N5CCOCC5; CC(C)n1cnc2c1nc(nc2NCc3ccc(c c3)c4ccccn4)N5CCOCC5 |
2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine |
| 40049 |  RSK CHEMBL206743 ZINC000006581845 |
0 | C14 H16 N2 | InChI=1S/C14H16N2/c15-13( 11-7-3-1-4-8-11)14(16)12- 9-5-2-6-10-12/h1-10,13-14 H,15-16H2/t13-,14+; PONXTPCRRASWKW-OKILXGFUSA-N |
c1ccc(cc1)[C@H]([C@H](c2ccccc2)N)N; N[C@ H]([C@H](N)c1ccccc1)c2ccccc2; N[CH]([CH] (N)c1ccccc1)c2ccccc2; c1ccc(cc1)C(C(c2cc ccc2)N)N |
(1S,2R)-1,2-diphenylethane-1,2-diamine |
| 40050 |  RSL |
1 | C18 H15 Cl N2 O4 S | InChI=1S/C18H15ClN2O4S/c1 -26(23,24)25-15-5-6-16-13 (9-15)10-20-11-17(16)21-1 8(22)8-12-3-2-4-14(19)7-1 2/h2-7,9-11H,8H2,1H3,(H,2 1,22); DLGHRHRFJGLPSU-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)OS(C) (=O)=O; CS(=O)(=O)Oc1ccc2c(c1)cncc2NC(=O )Cc3cccc(c3)Cl; C[S](=O)(=O)Oc1ccc2c(NC( =O)Cc3cccc(Cl)c3)cncc2c1 |
4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate |
| 40051 |  RSM ZINC000024966365 |
4 | C8 H16 N2 O3 S | InChI=1S/C8H16N2O3S/c1-6( 11)10-7(8(12)9-2)4-5-14(3 )13/h7H,4-5H2,1-3H3,(H,9, 12)(H,10,11)/t7-,14+/m0/s 1; HOKSMYPIXLKSMM-JKYUHCHBSA-N |
CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC; CC(=O )NC(CCS(=O)C)C(=O)NC; CNC(=O)[CH](CC[S]( C)=O)NC(C)=O; O=C(NC(C(=O)NC)CCS(=O)C)C; CNC(=O)[C@H](CC[S@@](C)=O)NC(C)=O |
(2S)-2-(acetylamino)-N-methyl-4-[(R)-methylsulfinyl]butanamide |
| 40052 |  RSN |
2 | C17 H23 N5 O10 S | InChI=1S/C17H23N5O10S/c18 -8-1-7(4-23)2-10-13(8)22( 6-20-10)17-15(27)14(26)11 (32-17)5-31-33(29,30)21-1 6(28)9(19)3-12(24)25/h1-2 ,6,9,11,14-15,17,23,26-27 H,3-5,18-19H2,(H,21,28)(H ,24,25)/t9-,11+,14+,15+,1 7+/m0/s1; NPTGVUDUYJMSLG-OULBZCFASA-N |
c1c(cc2c(c1N)n(cn2)C3C(C(C(O3)COS(=O)(=O )NC(=O)C(CC(=O)O)N)O)O)CO; N[CH](CC(O)=O )C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[C H]1O)n2cnc3cc(CO)cc(N)c23; c1c(cc2c(c1N) n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(= O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO; N[C@ @H](CC(O)=O)C(=O)N[S](=O)(=O)OC[C@H]1O[C @H]([C@H](O)[C@@H]1O)n2cnc3cc(CO)cc(N)c2 3 |
(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid |
| 40053 |  RSO CHEMBL1235743 DB04499 ZINC000000901251 |
2 | C8 H8 O | InChI=1S/C8H8O/c1-2-4-7(5 -3-1)8-6-9-8/h1-5,8H,6H2/ t8-/m0/s1; AWMVMTVKBNGEAK-QMMMGPOBSA-N |
C1O[CH]1c2ccccc2; O2C(c1ccccc1)C2; c1ccc (cc1)[C@@H]2CO2; c1ccc(cc1)C2CO2; C1O[C@ @H]1c2ccccc2 |
R-STYRENE OXIDE |
| 40054 |  RSP ZINC000013517205 |
0 | C9 H14 N3 O7 P S | InChI=1S/C9H14N3O7PS/c10- 5-1-2-12(9(21)11-5)8-7(14 )6(13)4(19-8)3-18-20(15,1 6)17/h1-2,4,6-8,13-14H,3H 2,(H2,10,11,21)(H2,15,16, 17)/t4-,6-,7-,8-/m1/s1; BPWVHBCPZTVLLY-XVFCMESISA-N |
NC1=NC(=S)N(C=C1)[CH]2O[CH](CO[P](O)(O)= O)[CH](O)[CH]2O; NC1=NC(=S)N(C=C1)[C@@H] 2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; C1=CN(C(=S)N=C1N)C2C(C(C(O2)COP(=O)(O)O) O)O; C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H ]([C@H](O2)COP(=O)(O)O)O)O |
4-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2(1H)-thione |
| 40055 |  RSQ ZINC000058638405 |
0 | C10 H14 N3 O9 P | InChI=1S/C10H14N3O9P/c11- 8-4(2-14)1-13(10(17)12-8) 9-7(16)6(15)5(22-9)3-21-2 3(18,19)20/h1-2,5-7,9,15- 16H,3H2,(H2,11,12,17)(H2, 18,19,20)/t5-,6-,7-,9-/m1 /s1; ANRZHYHASGTOLD-JXOAFFINSA-N |
C1=C(C(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O )O)N)C=O; C1=C(C(=NC(=O)N1[C@H]2[C@@H]([ C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C=O; NC 1=NC(=O)N(C=C1C=O)[CH]2O[CH](CO[P](O)(O) =O)[CH](O)[CH]2O; NC1=NC(=O)N(C=C1C=O)[C @@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] 2O; P(O)(O)(OCC2C(C(C(N1C(N=C(N)C(C=O)=C 1)=O)O2)O)O)=O |
5-formylcytidine 5'-(dihydrogen phosphate) |
| 40056 |  RSR |
1 | C18 H17 F2 N5 O2 | InChI=1S/C18H17F2N5O2/c19 -9-2-3-10-11(6-9)22-13-12 (10)14(24-16(21)23-13)25- 7-17(4-1-5-17)18(20,8-25) 15(26)27/h2-3,6H,1,4-5,7- 8H2,(H,26,27)(H3,21,22,23 ,24)/t18-/m1/s1; CDBGIGRGQZLBAF-GOSISDBHSA-N |
O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3c c(F)ccc3c12; Nc1nc2[nH]c3cc(F)ccc3c2c(n1 )N4CC5(CCC5)[C@@](F)(C4)C(O)=O; c1cc2c(c c1F)[nH]c3c2c(nc(n3)N)N4CC5(CCC5)C(C4)(C (=O)O)F; Nc1nc2[nH]c3cc(F)ccc3c2c(n1)N4C C5(CCC5)[C](F)(C4)C(O)=O; c1cc2c(cc1F)[n H]c3c2c(nc(n3)N)N4C[C@](C5(C4)CCC5)(C(=O )O)F |
(8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
| 40057 |  RSS CHEMBL282146 DB08493 ZINC000003811056 |
2 | C25 H35 N3 O4 | InChI=1S/C25H35N3O4/c1-17 (2)13-18(15-23(29)30)24(3 1)27-21-14-19-16-28(22-10 -6-5-9-20(19)22)12-8-4-3- 7-11-26-25(21)32/h5-6,9-1 0,16-18,21H,3-4,7-8,11-15 H2,1-2H3,(H,26,32)(H,27,3 1)(H,29,30)/t18-,21+/m1/s 1; AKWKBACKRMYPRV-NQIIRXRSSA-N |
CC(C)CC(CC(=O)O)C(=O)NC1Cc2cn(c3c2cccc3) CCCCCCNC1=O; CC(C)C[C@H](CC(=O)O)C(=O)N[ C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O; CC(C)C [C@H](CC(O)=O)C(=O)N[C@H]1Cc2cn(CCCCCCNC 1=O)c3ccccc23; O=C(O)CC(C(=O)NC3C(=O)NCC CCCCn2c1ccccc1c(c2)C3)CC(C)C; CC(C)C[CH] (CC(O)=O)C(=O)N[CH]1Cc2cn(CCCCCCNC1=O)c3 ccccc23 |
5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-HEXANOIC ACID |
| 40058 |  RST |
0 | C6 H13 N O3 | InChI=1S/C6H13NO3/c1-3-6( 9)4(7)2-5(8)10-3/h3-6,8-9 H,2,7H2,1H3/t3-,4+,5+,6-/ m0/s1; BBMKQGIZNKEDOX-KCDKBNATSA-N |
CC1C(C(CC(O1)O)N)O; C[CH]1O[CH](O)C[CH]( N)[CH]1O; C[C@H]1[C@@H]([C@@H](C[C@@H](O 1)O)N)O; C[C@@H]1O[C@@H](O)C[C@@H](N)[C@ H]1O; OC1C(OC(O)CC1N)C |
3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose; RISTOSAMINE; 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexose; 3-amino-2,3,6-trideoxy-L-ribo-hexose; 3-amino-2,3,6-trideoxy-ribo-hexose |
| 40059 |  RSU CHEMBL5592449 |
6 | C21 H30 N6 O | InChI=1S/C21H30N6O/c1-4-1 7(13-28)24-21-25-19(18-20 (26-21)27(14-23-18)15(2)3 )22-12-8-11-16-9-6-5-7-10 -16/h5-7,9-10,14-15,17,28 H,4,8,11-13H2,1-3H3,(H2,2 2,24,25,26)/t17-/m1/s1; HXKIFNLNVMCGAG-QGZVFWFLSA-N |
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCC c3ccccc3; CC[CH](CO)Nc1nc(NCCCc2ccccc2)c 3ncn(C(C)C)c3n1; CC[C@H](CO)Nc1nc(NCCCc2 ccccc2)c3ncn(C(C)C)c3n1; CCC(CO)Nc1nc(c2 c(n1)n(cn2)C(C)C)NCCCc3ccccc3 |
(2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| 40060 |  RSV CHEMBL1821801 ZINC000072179642 |
1 | C13 H10 N2 S | InChI=1S/C13H10N2S/c14-13 -4-2-10-7-9(1-3-12(10)15- 13)11-5-6-16-8-11/h1-8H,( H2,14,15); SKHMHSCEONTQTF-UHFFFAOYSA-N |
c1cc(nc2c1cc(cc2)c3ccsc3)N; n3c2ccc(c1cc sc1)cc2ccc3N; Nc1ccc2cc(ccc2n1)c3cscc3 |
6-(thiophen-3-yl)quinolin-2-amine |
| 40061 |  RSW |
1 | C25 H16 Cl N3 O4 Ru | InChI=1S/C18H11N3O2.C7H6O 2.ClH.Ru/c1-8-6-10-13-14( 18(23)21-17(13)22)12-9-4- 2-3-5-11(9)20-16(12)15(10 )19-7-8;8-7(9)6-4-2-1-3-5 -6;;/h2-7H,1H3,(H2,19,20, 21,22,23);1-5H,(H,8,9);1H ;/q;;;+3/p-2; LOEHCDRAMDJWEG-UHFFFAOYSA-L |
Cc1cc2c3C(=O)NC(=O)c3c4c5ccccc5n6[Ru]|7| 8|9|%10|%11(Cl)(|C%12C|7C|8C|9(C|%10C|%1 1%12)C(O)=O)[n+](c1)c2c46; O=C(O)C1%12C8 C9C%10C%11C1[Ru]589%10%11%12(Cl)[n+]7c2c (c6c(c3c2n5c4c3cccc4)C(=O)NC6=O)cc(c7)C; Cc1cc2c3c(c4c5ccccc5n6c4c2[n+](c1)[Ru]6 78912([C@@H]4[C@H]7C8([C@H]9[C@H]1C24)C( =O)O)Cl)C(=O)NC3=O; Cc1cc2c3c(c4c5ccccc5 n6c4c2[n+](c1)[Ru]678912(C4C7C8C9(C1C24) C(=O)O)Cl)C(=O)NC3=O |
[(1,2,3,4,5,6-eta)-(1S,2R,3R,4R,5S,6S)-1-carboxycyclohexane-1,2,3,4,5,6-hexayl](chloro)(3-methyl-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+) |
| 40062 |  RSX ZINC000024979482 |
1 | C8 H17 N O6 P2 | InChI=1S/C8H17NO6P2/c10-1 6(11,12)8(17(13,14)15)4-6 -2-1-3-9-7(6)5-8/h6-7,9H, 1-5H2,(H2,10,11,12)(H2,13 ,14,15)/t6-,7+/m0/s1; JWOKHNWVYMHFTC-NKWVEPMBSA-N |
C1C[C@H]2CC(C[C@H]2NC1)(P(=O)(O)O)P(=O)( O)O; C1CC2CC(CC2NC1)(P(=O)(O)O)P(=O)(O)O ; O[P](O)(=O)C1(C[CH]2CCCN[CH]2C1)[P](O) (O)=O; O[P](O)(=O)C1(C[C@@H]2CCCN[C@@H]2 C1)[P](O)(O)=O; O=P(O)(O)C2(CC1C(NCCC1)C 2)P(=O)(O)O |
(4aS,7aR)-octahydro-1H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid) |
| 40063 |  RSY ZINC000098209376 |
2 | C31 H43 Cl N6 O6 | InChI=1S/C31H43ClN6O6/c1- 18(2)14-23(28(33)41)37-30 (43)24(17-32)35-26(40)16- 25(39)22(15-20-10-6-5-7-1 1-20)36-31(44)27(19(3)4)3 8-29(42)21-12-8-9-13-34-2 1/h5-13,18-19,22-25,27,39 H,14-17H2,1-4H3,(H2,33,41 )(H,35,40)(H,36,44)(H,37, 43)(H,38,42)/t22-,23-,24- ,25-,27+/m0/s1; AWQGEUFVOMSATO-HOMAGXEVSA-N |
CC(C)C[C@H](NC(=O)[C@H](CCl)NC(=O)C[C@H] (O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c2c cccn2)C(C)C)C(N)=O; CC(C)C[CH](NC(=O)[CH ](CCl)NC(=O)C[CH](O)[CH](Cc1ccccc1)NC(=O )[CH](NC(=O)c2ccccn2)C(C)C)C(N)=O; O=C(N C(C(=O)NC(Cc1ccccc1)C(O)CC(=O)NC(C(=O)NC (C(=O)N)CC(C)C)CCl)C(C)C)c2ncccc2; CC(C) CC(C(=O)N)NC(=O)C(CCl)NC(=O)CC(C(Cc1cccc c1)NC(=O)C(C(C)C)NC(=O)c2ccccn2)O; CC(C) C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C @@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C) NC(=O)c2ccccn2)O |
N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide |
| 40064 |  RSZ ZINC000098209377 |
2 | C34 H39 N5 O5 | InChI=1S/C34H39N5O5/c1-4- 18-36-32(42)28(21-25-15-9 -6-10-16-25)37-30(41)22-2 9(40)27(20-24-13-7-5-8-14 -24)38-34(44)31(23(2)3)39 -33(43)26-17-11-12-19-35- 26/h1,5-17,19,23,27-29,31 ,40H,18,20-22H2,2-3H3,(H, 36,42)(H,37,41)(H,38,44)( H,39,43)/t27-,28+,29-,31- /m0/s1; RAZZBARIWRCYLK-MOWYSQRCSA-N |
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H] (CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC( =O)c3ccccn3; O=C(NC(C(=O)NC(Cc1ccccc1)C( O)CC(=O)NC(C(=O)NCC#C)Cc2ccccc2)C(C)C)c3 ncccc3; CC(C)[CH](NC(=O)c1ccccn1)C(=O)N[ CH](Cc2ccccc2)[CH](O)CC(=O)N[CH](Cc3cccc c3)C(=O)NCC#C; CC(C)[C@H](NC(=O)c1ccccn1 )C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CC(=O)N [C@H](Cc3ccccc3)C(=O)NCC#C; CC(C)C(C(=O) NC(Cc1ccccc1)C(CC(=O)NC(Cc2ccccc2)C(=O)N CC#C)O)NC(=O)c3ccccn3 |
N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide |
| 40065 |  RT CHEMBL1230421 |
0 | C10 H15 N2 O9 P | InChI=1/C10H15N2O9P/c1-4- 2-12(10(16)11-8(4)15)9-7( 14)6(13)5(21-9)3-20-22(17 ,18)19/h2,5-7,9,13-14H,3H 2,1H3,(H,11,15,16)(H2,17, 18,19)/t5-,6-,7-,9-/m1/s1 /f/h11,17-18H; IGWHDMPTQKSDTL-KNTCMURSDW |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)O; CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@ @H]([C@H](O2)COP(=O)(O)O)O)O; CC1=CN([CH ]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O )NC1=O; CC1=CN([C@@H]2O[C@H](CO[P](O)(O) =O)[C@@H](O)[C@H]2O)C(=O)NC1=O; O=C1NC(= O)N(C=C1C)C2OC(C(O)C2O)COP(=O)(O)O |
RIBOSYLTHYMINE-5'-MONOPHOSPHATE |
| 40066 |  RT0 ZINC000067473096 |
0 | C13 H13 F N4 O2 | InChI=1S/C13H13FN4O2/c14- 9-3-1-8(2-4-9)12-7-18(17- 16-12)10-5-11(13(19)20)15 -6-10/h1-4,7,10-11,15H,5- 6H2,(H,19,20)/t10-,11-/m0 /s1; ZOARAQYNIFGSNI-QWRGUYRKSA-N |
O=C(O)C3NCC(n1nnc(c1)c2ccc(F)cc2)C3; OC( =O)[C@@H]1C[C@@H](CN1)n2cc(nn2)c3ccc(F)c c3; c1cc(ccc1c2cn(nn2)C3CC(NC3)C(=O)O)F; c1cc(ccc1c2cn(nn2)[C@H]3C[C@H](NC3)C(=O )O)F; OC(=O)[CH]1C[CH](CN1)n2cc(nn2)c3cc c(F)cc3 |
(2S,4S)-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]pyrrolidine-2-carboxylic acid |
| 40067 |  RT1 ZINC000098207721 |
0 | C12 H18 N O4 P | InChI=1S/C12H18NO4P/c1-9( 12(14)15)8-18(16,17)11(13 )7-10-5-3-2-4-6-10/h2-6,9 ,11H,7-8,13H2,1H3,(H,14,1 5)(H,16,17)/t9-,11-/m1/s1; SMNGNHRXUGKQDP-MWLCHTKSSA-N |
C[CH](C[P](O)(=O)[CH](N)Cc1ccccc1)C(O)=O ; C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)N)O) C(=O)O; O=C(O)C(C)CP(=O)(O)C(N)Cc1ccccc1 ; CC(CP(=O)(C(Cc1ccccc1)N)O)C(=O)O; C[C@ H](C[P](O)(=O)[C@@H](N)Cc1ccccc1)C(O)=O |
(2S)-3-[(S)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-methylpropanoic acid |
| 40068 |  RT2 |
1 | C22 H26 O6 | InChI=1S/C22H26O6/c1-2-13 -3-5-14(6-4-13)9-15-7-8-1 6-12-27-22(17(16)10-15)21 (26)20(25)19(24)18(11-23) 28-22/h3-8,10,18-21,23-26 H,2,9,11-12H2,1H3/t18-,19 -,20+,21+,22+/m1/s1; VWVKUNOPTJGDOB-AANPDWTMSA-N |
CCc1ccc(cc1)Cc2ccc3c(c2)C4(C(C(C(C(O4)CO )O)O)O)OC3; CCc1ccc(Cc2ccc3CO[C@]4(O[C@H ](CO)[C@@H](O)[C@H](O)[C@@H]4O)c3c2)cc1; CCc1ccc(Cc2ccc3CO[C]4(O[CH](CO)[CH](O)[ CH](O)[CH]4O)c3c2)cc1; CCc1ccc(cc1)Cc2cc c3c(c2)[C@]4([C@H]([C@H]([C@@H]([C@H](O4 )CO)O)O)O)OC3 |
Tofogliflozin |
| 40069 |  RT3 CHEMBL1078535 DB08494 ZINC000049014194 |
1 | C19 H20 Cl N3 O4 S2 | InChI=1S/C19H20ClN3O4S2/c 1-12-4-7-17-13(9-12)3-2-8 -23(17)19(25)28-11-18(24) 22-16-6-5-14(10-15(16)20) 29(21,26)27/h4-7,9-10H,2- 3,8,11H2,1H3,(H,22,24)(H2 ,21,26,27); AWAKIULNKVOBKE-UHFFFAOYSA-N |
Cc1ccc2c(c1)CCCN2C(=O)SCC(=O)Nc3ccc(cc3C l)S(=O)(=O)N; Cc1ccc2N(CCCc2c1)C(=O)SCC( =O)Nc3ccc(cc3Cl)[S](N)(=O)=O |
S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate; S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate |
| 40070 |  RT4 |
2 | C24 H21 Cl N4 O3 | InChI=1S/C24H21ClN4O3/c25 -15-5-8-18-19(9-15)20(12- 29(24(18)32)13-22(30)27-1 6-6-7-16)23(31)28-21-11-2 6-10-14-3-1-2-4-17(14)21/ h1-5,8-11,16,20H,6-7,12-1 3H2,(H,27,30)(H,28,31)/t2 0-/m1/s1; PAAVFAOBFJLLJO-HXUWFJFHSA-N |
Clc1ccc2C(=O)N(C[C@@H](C(=O)Nc3cncc4cccc c34)c2c1)CC(=O)NC5CC5; c1ccc2c(c1)cncc2N C(=O)C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC5CC 5; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(C(=O) c4c3cc(cc4)Cl)CC(=O)NC5CC5; Clc1ccc2C(=O )N(C[CH](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O )NC5CC5; Clc1ccc2C(=O)N(CC(c2c1)C(=O)Nc1 cncc2ccccc21)CC(=O)NC1CC1 |
(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40071 |  RT5 |
1 | C18 H17 F2 N5 O2 | InChI=1S/C18H17F2N5O2/c19 -9-2-3-10-11(6-9)22-13-12 (10)14(24-16(21)23-13)25- 7-17(4-1-5-17)18(20,8-25) 15(26)27/h2-3,6H,1,4-5,7- 8H2,(H,26,27)(H3,21,22,23 ,24)/t18-/m0/s1; CDBGIGRGQZLBAF-SFHVURJKSA-N |
O=C(O)C1(F)CN(CC21CCC2)c1nc(N)nc2[NH]c3c c(F)ccc3c12; c1cc2c(cc1F)[nH]c3c2c(nc(n3 )N)N4C[C@@](C5(C4)CCC5)(C(=O)O)F; c1cc2c (cc1F)[nH]c3c2c(nc(n3)N)N4CC5(CCC5)C(C4) (C(=O)O)F; Nc1nc2[nH]c3cc(F)ccc3c2c(n1)N 4CC5(CCC5)[C](F)(C4)C(O)=O; Nc1nc2[nH]c3 cc(F)ccc3c2c(n1)N4CC5(CCC5)[C@](F)(C4)C( O)=O |
(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid |
| 40072 |  RT6 |
4 | C19 H33 N O9 | InChI=1S/C19H33NO9/c21-7- 9-6-11(20-10-4-2-1-3-5-10 )13(23)16(26)18(9)29-19-1 7(27)15(25)14(24)12(8-22) 28-19/h6,10-27H,1-5,7-8H2 /t11-,12+,13-,14+,15-,16+ ,17+,18+,19+/m0/s1; YAIDDCWZVAZCDT-DXAFFUQDSA-N |
OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O )C(O)C1O; OC[C@H]1O[C@H](O[C@H]2[C@H](O) [C@@H](O)[C@@H](NC3CCCCC3)C=C2CO)[C@H](O )[C@@H](O)[C@@H]1O; C1CCC(CC1)N[C@H]2C=C (C(C([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@ H]([C@H](O3)CO)O)O)O)CO; OC[CH]1O[CH](O[ CH]2[CH](O)[CH](O)[CH](NC3CCCCC3)C=C2CO) [CH](O)[CH](O)[CH]1O; C1CCC(CC1)NC2C=C(C (C(C2O)O)OC3C(C(C(C(O3)CO)O)O)O)CO |
(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
| 40073 |  RT7 CHEMBL1079267 ZINC000049793230 |
1 | C18 H16 Cl3 N3 O4 S2 | InChI=1S/C18H16Cl3N3O4S2/ c19-11-6-10-2-1-5-24(17(1 0)14(21)7-11)18(26)29-9-1 6(25)23-15-4-3-12(8-13(15 )20)30(22,27)28/h3-4,6-8H ,1-2,5,9H2,(H,23,25)(H2,2 2,27,28); SZLMFNKKFJUHKQ-UHFFFAOYSA-N |
N[S](=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc (Cl)cc(Cl)c23)c(Cl)c1; c1cc(c(cc1S(=O)(= O)N)Cl)NC(=O)CSC(=O)N2CCCc3c2c(cc(c3)Cl) Cl |
S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate; S-(2-{[4-(aminosulfonyl)-2-chlorophenyl]amino}-2-oxoethyl) 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate |
| 40074 |  RT8 |
1 | C24 H28 N4 O2 | InChI=1S/C24H28N4O2/c1-16 -6-8-17(9-7-16)23(29)28-2 2(24(30)27-19-10-12-25-13 -11-19)14-18-15-26-21-5-3 -2-4-20(18)21/h2-5,10-13, 15-17,22,26H,6-9,14H2,1H3 ,(H,28,29)(H,25,27,30)/t1 6-,17-,22-/m1/s1; ICFUCABJWQGTGU-DRSNIGMVSA-N |
O=C(Nc1ccncc1)C(NC(=O)C2CCC(C)CC2)Cc4c3c cccc3nc4; CC1CCC(CC1)C(=O)NC(Cc2c[nH]c3c 2cccc3)C(=O)Nc4ccncc4; C[CH]1CC[CH](CC1) C(=O)N[CH](Cc2c[nH]c3ccccc23)C(=O)Nc4ccn cc4; CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2 cccc3)C(=O)Nc4ccncc4; C[C@@H]1CC[C@H](CC 1)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc4 ccncc4 |
NALPHA-[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]-N-PYRIDIN-4-YL-D-TRYPTOPHANAMIDE |
| 40075 |  RT9 |
2 | C24 H22 Cl N3 O5 S | InChI=1S/C24H22ClN3O5S/c1 -33-24(8-9-24)14-34(31,32 )28-13-20(19-10-16(25)6-7 -18(19)23(28)30)22(29)27- 21-12-26-11-15-4-2-3-5-17 (15)21/h2-7,10-12,20H,8-9 ,13-14H2,1H3,(H,27,29)/t2 0-/m1/s1; AHKRSFUFGSQVJJ-HXUWFJFHSA-N |
COC1(CC1)CS(=O)(=O)N1CC(c2cc(Cl)ccc2C1=O )C(=O)Nc1cncc2ccccc21; COC1(CC1)CS(=O)(= O)N2CC(c3cc(ccc3C2=O)Cl)C(=O)Nc4cncc5c4c ccc5; COC1(CC1)CS(=O)(=O)N2C[C@H](c3cc(c cc3C2=O)Cl)C(=O)Nc4cncc5c4cccc5; COC1(CC 1)C[S](=O)(=O)N2C[CH](C(=O)Nc3cncc4ccccc 34)c5cc(Cl)ccc5C2=O; COC1(CC1)C[S](=O)(= O)N2C[C@@H](C(=O)Nc3cncc4ccccc34)c5cc(Cl )ccc5C2=O |
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40076 |  RTA |
1 | C25 H42 N5 Ru | InChI=1S/C15H26N3.C10H16N 2.Ru/c1-3-10-16-12(6-1)14 -8-5-9-15(18-14)13-7-2-4- 11-17-13;1-3-7-11-9(5-1)1 0-6-2-4-8-12-10;/h12-15H, 1-11H2;1,5,9-10H,2-4,6-8H 2;/q-3;-2;+7/t12-,13?,14? ,15?;9?,10-;/m10./s1; VLDOLZCQXZUBCJ-WKTHGOLZSA-N |
N14CCCCC1C2N8C(CCC2)C3N(CCCC3)[Ru+2]478N 5CCC=CC5C6N7CCCC6; C1CCN2[C@H](C1)[C@@H] 3CCC[C@H]4[C@H]5CCCCN5[Ru++]26(N7CCCC[C@ H]7[C@@H]8C=CCCN68)N34; C1CCN2[CH](C1)[C H]3CCC[CH]4[CH]5CCCCN5[Ru++]26(N7CCCC[CH ]7[CH]8C=CCCN68)N34; C1CCN2C(C1)C3CCCC4N 3[Ru+2]25(N6C4CCCC6)N7CCCCC7C8N5CCC=C8 |
(2,2':6',2''-TERPYRIDINE)-(2,2''-BIPYRIDINE) RUTHENIUM (II) |
| 40077 |  RTB |
2 | C27 H19 N5 Ru | InChI=1S/C15H11N3.C12H8N2 .Ru/c1-3-10-16-12(6-1)14- 8-5-9-15(18-14)13-7-2-4-1 1-17-13;1-3-9-5-6-10-4-2- 8-14-12(10)11(9)13-7-1;/h 1-11H;1-8H;/q;;+2; XMPKRNOGWDEKFE-UHFFFAOYSA-N |
C1=CC=[N]2C(=C1)C3=[N]4[Ru+2]25([N]6=C(C 4=CC=C3)C=CC=C6)[N]7=C8C(=CC=C7)C=CC9=CC =C[N]5=C98; [Ru++].c1ccc(nc1)c2cccc(n2)c 3ccccn3.c4cnc5c(c4)ccc6cccnc56 |
(2,2':6',2'-TERPYRIDINE)-(1,10-PHENANTHROLINE) RUTHENIUM (II) |
| 40078 |  RTC |
0 | C3 O3 Re | InChI=1S/3CO.Re/c3*1-2;/q ;;;+1; AWQNMLNCEVKFRF-UHFFFAOYSA-N |
[Re+].[C-]#[O+].[C-]#[O+].[C-]#[O+]; C(# O)[Re+](C#O)C#O |
RHENIUM (I) TRICARBONYL |
| 40079 |  RTD CHEMBL3809419 ZINC000012375962 |
1 | C8 H8 O2 S | InChI=1S/C8H8O2S/c9-8(10) 7(11)6-4-2-1-3-5-6/h1-5,7 ,11H,(H,9,10)/t7-/m1/s1; QYIGFZOHYGYBLX-SSDOTTSWSA-N |
c1ccc(cc1)C(C(=O)O)S; OC(=O)[CH](S)c1ccc cc1; OC(=O)[C@H](S)c1ccccc1; c1ccc(cc1)[ C@H](C(=O)O)S; O=C(O)C(S)c1ccccc1 |
(2R)-phenyl(sulfanyl)ethanoic acid; alpha-mercaptophenylacetic acid, R-thiomandelic acid |
| 40080 |  RTE CHEMBL4164753 |
1 | C22 H16 Cl F N2 O4 | InChI=1S/C22H16ClFN2O4/c1 -26-20-11-16(30-15-5-7-17 (23)18(24)10-15)6-8-19(20 )25-21(26)12-29-14-4-2-3- 13(9-14)22(27)28/h2-11H,1 2H2,1H3,(H,27,28); QCDBYUFGXWPSLV-UHFFFAOYSA-N |
Cn1c(COc2cccc(c2)C(O)=O)nc3ccc(Oc4ccc(Cl )c(F)c4)cc13; Cn1c2cc(ccc2nc1COc3cccc(c3 )C(=O)O)Oc4ccc(c(c4)F)Cl; c1(c(F)cc(cc1) Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl |
3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid; 4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid |
| 40081 |  RTF CHEMBL4164423 |
1 | C23 H21 N3 O4 | InChI=1S/C23H21N3O4/c1-14 -9-15(2)22(24-12-14)30-18 -7-8-19-20(11-18)26(3)21( 25-19)13-29-17-6-4-5-16(1 0-17)23(27)28/h4-12H,13H2 ,1-3H3,(H,27,28); GEGLFSVXCSGSOB-UHFFFAOYSA-N |
Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc( c4)C(=O)O)C)C; Cn1c(COc2cccc(c2)C(O)=O)n c3ccc(Oc4ncc(C)cc4C)cc13 |
3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid |
| 40082 |  RTG |
2 | C6 H13 O9 P | InChI=1S/C6H13O9P/c7-3-2( 1-14-16(11,12)13)15-6(10) 5(9)4(3)8/h2-10H,1H2,(H2, 11,12,13)/t2-,3+,4-,5+,6+ /m0/s1; NBSCHQHZLSJFNQ-DSOBHZJASA-N |
O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O) [CH]1O; O[C@@H]1O[C@@H](CO[P](O)(O)=O)[C @@H](O)[C@H](O)[C@H]1O; O=P(O)(OCC1OC(C( C(C1O)O)O)O)O; C(C1C(C(C(C(O1)O)O)O)O)OP (=O)(O)O; C([C@H]1[C@H]([C@@H]([C@H]([C@ @H](O1)O)O)O)O)OP(=O)(O)O |
6-O-phosphono-alpha-L-idopyranose |
| 40083 |  RTH CHEMBL1821808 ZINC000072178387 |
1 | C21 H20 N2 | InChI=1S/C21H20N2/c1-21(2 ,3)13-12-15-6-4-5-7-18(15 )16-8-10-19-17(14-16)9-11 -20(22)23-19/h4-11,14H,1- 3H3,(H2,22,23); IFUYBWIZKMAADM-UHFFFAOYSA-N |
CC(C)(C)C#Cc1ccccc1c2ccc3nc(N)ccc3c2; CC (C)(C)C#Cc1ccccc1c2ccc3c(c2)ccc(n3)N; C( #Cc3ccccc3c1ccc2nc(ccc2c1)N)C(C)(C)C |
6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine |
| 40084 |  RTI |
1 | C19 H16 N2 O4 | InChI=1S/C19H16N2O4/c22-1 6-3-1-2-12-13(16)9-14(19( 24)25)17(12)21-18(23)11-4 -5-15-10(8-11)6-7-20-15/h 1-8,14,17,20,22H,9H2,(H,2 1,23)(H,24,25)/t14-,17+/m 0/s1; DEQJMLORKTWBPR-WMLDXEAASA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)cc[n H]4)C(=O)O; O=C(O)C1Cc2c(cccc2O)C1NC(=O) c1cc2cc[NH]c2cc1; c1cc2c(c(c1)O)C[C@@H]( [C@@H]2NC(=O)c3ccc4c(c3)cc[nH]4)C(=O)O; OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4 [nH]ccc4c3; OC(=O)[C@H]1Cc2c(O)cccc2[C@H ]1NC(=O)c3ccc4[nH]ccc4c3 |
(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 40085 |  RTJ CHEMBL5564158 |
3 | C20 H19 F2 N5 O2 | InChI=1S/C20H19F2N5O2/c1- 3-6-26-16-9-23-20(24-13-7 -14(21)17(28)15(22)8-13)2 5-18(16)27(10-12-4-5-12)1 1(2)19(26)29/h1,7-9,11-12 ,28H,4-6,10H2,2H3,(H,23,2 4,25)/t11-/m1/s1; VCABIQKTZQAYKL-LLVKDONJSA-N |
CC1C(=O)N(c2cnc(nc2N1CC3CC3)Nc4cc(c(c(c4 )F)O)F)CC#C; C[CH]1N(CC2CC2)c3nc(Nc4cc(F )c(O)c(F)c4)ncc3N(CC#C)C1=O; c4(F)c(O)c( cc(Nc1nc2c(cn1)N(CC#C)C(=O)C(C)N2CC3CC3) c4)F; C[C@H]1N(CC2CC2)c3nc(Nc4cc(F)c(O)c (F)c4)ncc3N(CC#C)C1=O; C[C@@H]1C(=O)N(c2 cnc(nc2N1CC3CC3)Nc4cc(c(c(c4)F)O)F)CC#C |
(7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
| 40086 |  RTK ZINC000098209378 |
1 | C6 H17 N O2 P | InChI=1S/C6H16NO2P/c1-7(2 ,3)5-4-6-10(8)9/h10H,4-6H 2,1-3H3/p+1; WOSBPQBJRYGKCZ-UHFFFAOYSA-O |
C[N+](C)(C)CCCP(=O)O; C[N+](C)(C)CCC[PH] (O)=O; O=P(O)CCC[N+](C)(C)C |
trimethyl(3-oxidanylphosphonoylpropyl)azanium |
| 40087 |  RTL CHEMBL986 DB00162 ZINC000003831417 |
46 | C20 H30 O | InChI=1S/C20H30O/c1-16(8- 6-9-17(2)13-15-21)11-12-1 9-18(3)10-7-14-20(19,4)5/ h6,8-9,11-13,21H,7,10,14- 15H2,1-5H3/b9-6+,12-11+,1 6-8+,17-13+; FPIPGXGPPPQFEQ-OVSJKPMPSA-N |
CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C; C1 (CCCC(=C1\C=C\C(=C\C=C\C(=C\CO)C)C)C)(C) C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/ CO)/C)/C; CC1=C(C(CCC1)(C)C)C=CC(=CC=CC( =CCO)C)C; CC(=C\CO)/C=C/C=C(C)/C=C/C1=C( C)CCCC1(C)C |
RETINOL |
| 40088 |  RTM CHEMBL1821809 ZINC000072177385 |
1 | C19 H25 N3 O | InChI=1S/C19H25N3O/c1-22( 16-8-3-2-4-9-16)18(23)12- 11-15-13-14-7-5-6-10-17(1 4)21-19(15)20/h5-7,10,13, 16H,2-4,8-9,11-12H2,1H3,( H2,20,21); GRFOHUBBUMAJMM-UHFFFAOYSA-N |
CN(C1CCCCC1)C(=O)CCc2cc3ccccc3nc2N; O=C( N(C1CCCCC1)C)CCc2cc3ccccc3nc2N |
3-(2-aminoquinolin-3-yl)-N-cyclohexyl-N-methylpropanamide |
| 40089 |  RTN CHEMBL1821811 ZINC000072177291 |
1 | C25 H29 N3 O | InChI=1S/C25H29N3O/c1-17- 7-5-6-10-22(17)18-11-13-2 3-20(15-18)16-19(25(26)28 -23)12-14-24(29)27-21-8-3 -2-4-9-21/h5-7,10-11,13,1 5-16,21H,2-4,8-9,12,14H2, 1H3,(H2,26,28)(H,27,29); JBOWUKRDBGMOJZ-UHFFFAOYSA-N |
Cc1ccccc1c2ccc3nc(N)c(CCC(=O)NC4CCCCC4)c c3c2; Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC( =O)NC4CCCCC4; O=C(NC1CCCCC1)CCc2cc3cc(cc c3nc2N)c4ccccc4C |
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide |
| 40090 |  RTO CHEMBL897 DB01032 ZINC000000001982 |
30 | C13 H19 N O4 S | InChI=1S/C13H19NO4S/c1-3- 9-14(10-4-2)19(17,18)12-7 -5-11(6-8-12)13(15)16/h5- 8H,3-4,9-10H2,1-2H3,(H,15 ,16); DBABZHXKTCFAPX-UHFFFAOYSA-N |
CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O; CC CN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O |
4-(dipropylsulfamoyl)benzoic acid |
| 40091 |  RTP CHEMBL398463 ZINC000012402860 |
6 | C8 H15 N4 O14 P3 | InChI=1S/C8H15N4O14P3/c9- 6(15)7-10-2-12(11-7)8-5(1 4)4(13)3(24-8)1-23-28(19, 20)26-29(21,22)25-27(16,1 7)18/h2-5,8,13-14H,1H2,(H 2,9,15)(H,19,20)(H,21,22) (H2,16,17,18)/t3-,4-,5-,8 -/m1/s1; MMJOCKKLRMRSEQ-AFCXAGJDSA-N |
NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO[P@](O)(= O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@ H]2O; NC(=O)c1ncn(n1)[CH]2O[CH](CO[P](O) (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2 O; c1nc(nn1C2C(C(C(O2)COP(=O)(O)OP(=O)(O )OP(=O)(O)O)O)O)C(=O)N; c1nc(nn1[C@H]2[C @@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@] (=O)(O)OP(=O)(O)O)O)O)C(=O)N; O=P(O)(O)O P(=O)(O)OP(=O)(O)OCC2OC(n1nc(nc1)C(=O)N) C(O)C2O |
RIBAVIRIN TRIPHOSPHATE |
| 40092 |  RTQ |
1 | C35 H45 N3 O8 | InChI=1S/C35H45N3O8/c1-43 -29-17-15-23(19-30(29)44- 2)14-16-28-25-11-8-12-26( 20-25)45-22-32(40)36-21-3 1(39)37-33(24-9-4-3-5-10- 24)34(41)38-18-7-6-13-27( 38)35(42)46-28/h8,11-12,1 5,17,19-20,24,27-28,33H,3 -7,9-10,13-14,16,18,21-22 H2,1-2H3,(H,36,40)(H,37,3 9)/t27-,28+,33+/m0/s1; HNHRFUYYWJLKLT-QSOCVKKASA-N |
COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(=O)NCC(= O)NC(C(=O)N4CCCCC4C(=O)O2)C5CCCCC5; COc1 ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](NC (=O)CNC(=O)COc4cccc2c4)C5CCCCC5)cc1OC; C Oc1ccc(cc1OC)CC[C@@H]2c3cccc(c3)OCC(=O)N CC(=O)N[C@@H](C(=O)N4CCCC[C@H]4C(=O)O2)C 5CCCCC5; COc1ccc(CC[C@H]2OC(=O)[C@@H]3CC CCN3C(=O)[C@H](NC(=O)CNC(=O)COc4cccc2c4) C5CCCCC5)cc1OC |
(2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone; (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone |
| 40093 |  RTR CHEMBL48813 DB08495 ZINC000002047636 |
1 | C20 H19 Cl N4 O3 S2 | InChI=1S/C20H19ClN4O3S2/c 21-16-6-5-15-9-19(29-17(1 5)10-16)30(27,28)25-8-7-2 4(18(26)12-25)11-13-1-3-1 4(4-2-13)20(22)23/h1-6,9- 10H,7-8,11-12H2,(H3,22,23 ); VXONTEUOQXFJJS-UHFFFAOYSA-N |
O=C2N(Cc1ccc(C(=[N@H])N)cc1)CCN(C2)S(=O) (=O)c4sc3cc(Cl)ccc3c4; c1cc(ccc1CN2CCN(C C2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N; c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4 ccc(cc4s3)Cl)C(=N)N; NC(=N)c1ccc(CN2CCN( CC2=O)[S](=O)(=O)c3sc4cc(Cl)ccc4c3)cc1 |
4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE |
| 40094 |  RTS |
1 | C22 H21 Cl N4 O4 S | InChI=1S/C22H21ClN4O4S/c1 -22(21(29)26-18-11-25-10- 14-5-3-4-6-16(14)18)13-27 (12-20(28)24-2)32(30,31)1 9-8-7-15(23)9-17(19)22/h3 -11H,12-13H2,1-2H3,(H,24, 28)(H,26,29)/t22-/m1/s1; CJGIVGQVTPDSHN-JOCHJYFZSA-N |
CNC(=O)CN1C[C](C)(C(=O)Nc2cncc3ccccc23)c 4cc(Cl)ccc4[S]1(=O)=O; CC1(CN(S(=O)(=O)c 2c1cc(cc2)Cl)CC(=O)NC)C(=O)Nc3cncc4c3ccc c4; C[C@]1(CN(S(=O)(=O)c2c1cc(cc2)Cl)CC( =O)NC)C(=O)Nc3cncc4c3cccc4; CNC(=O)CN1C[ C@@](C)(C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc 4[S]1(=O)=O; CNC(=O)CN1CC(C)(c2cc(Cl)ccc 2S1(=O)=O)C(=O)Nc1cncc2ccccc21 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
| 40095 |  RTT CHEMBL5399355 |
1 | C37 H47 N3 O8 | InChI=1S/C37H47N3O8/c1-45 -30-17-15-24(21-31(30)46- 2)14-16-29-26-11-8-12-27( 22-26)47-23-32(41)39-37(1 8-19-37)36(44)38-33(25-9- 4-3-5-10-25)34(42)40-20-7 -6-13-28(40)35(43)48-29/h 8,11-12,15,17,21-22,25,28 -29,33H,3-7,9-10,13-14,16 ,18-20,23H2,1-2H3,(H,38,4 4)(H,39,41)/t28-,29+,33+/ m0/s1; LGCJCGBJDQHKRA-FISMMAAMSA-N |
COc1ccc(cc1OC)CCC2c3cccc(c3)OCC(=O)NC4(C C4)C(=O)NC(C(=O)N5CCCCC5C(=O)O2)C6CCCCC6 ; COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[ CH](NC(=O)C4(CC4)NC(=O)COc5cccc2c5)C6CCC CC6)cc1OC; COc1ccc(cc1OC)CC[C@@H]2c3cccc (c3)OCC(=O)NC4(CC4)C(=O)N[C@@H](C(=O)N5C CCC[C@H]5C(=O)O2)C6CCCCC6; COc1ccc(CC[C@ H]2OC(=O)[C@@H]3CCCCN3C(=O)[C@H](NC(=O)C 4(CC4)NC(=O)COc5cccc2c5)C6CCCCC6)cc1OC |
(2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone; (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]spiro[3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-15,1'-cyclopropane]-4,11,14,17-tetrone |
| 40096 |  RTU |
1 | C19 H16 N2 O4 | InChI=1S/C19H16N2O4/c22-1 6-3-1-2-12-13(16)9-14(19( 24)25)17(12)21-18(23)11-4 -5-15-10(8-11)6-7-20-15/h 1-8,14,17,20,22H,9H2,(H,2 1,23)(H,24,25)/t14-,17+/m 1/s1; DEQJMLORKTWBPR-PBHICJAKSA-N |
c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)cc[n H]4)C(=O)O; O=C(O)C1Cc2c(cccc2O)C1NC(=O) c1cc2cc[NH]c2cc1; OC(=O)[C@@H]1Cc2c(O)cc cc2[C@@H]1NC(=O)c3ccc4[nH]ccc4c3; OC(=O) [CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4[nH]cc c4c3; c1cc2c(c(c1)O)C[C@H]([C@H]2NC(=O)c 3ccc4c(c3)cc[nH]4)C(=O)O |
(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
| 40097 |  RTV |
0 | C8 H15 N O5 | InChI=1S/C8H15NO5/c1-4(11 )9-5-3-14-6(2-10)8(13)7(5 )12/h5-8,10,12-13H,2-3H2, 1H3,(H,9,11)/t5-,6-,7-,8- /m1/s1; VCYYRDKGHLOTQU-WCTZXXKLSA-N |
CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O; OC1 C(C(NC(C)=O)COC1CO)O; CC(=O)N[C@@H]1CO[C @H](CO)[C@@H](O)[C@@H]1O; CC(=O)NC1COC(C (C1O)O)CO; CC(=O)N[C@@H]1CO[C@@H]([C@H]( [C@@H]1O)O)CO |
2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol |
| 40098 |  RTW |
1 | C18 H21 N5 O S | InChI=1S/C18H21N5OS/c1-24 -13-10-6-5-9-12(13)15-20- 14-16(21-18(19)22-17(14)2 5)23(15)11-7-3-2-4-8-11/h 5-6,9-11H,2-4,7-8H2,1H3,( H3,19,21,22,25); BVSLMKDZZZZZKY-UHFFFAOYSA-N |
COc1ccccc1c2nc3c(n2C4CCCCC4)NC(=NC3=S)N; COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4 |
2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione; TH8321 |
| 40099 |  RTX CHEMBL1398474 ZINC000013831231 |
1 | C20 H25 Cl N2 O | InChI=1S/C20H25ClN2O/c1-3 -22(4-2)13-7-8-14-23-17-9 -5-6-10-19(17)24-20-12-11 -16(21)15-18(20)23/h5-6,9 -12,15H,3-4,7-8,13-14H2,1 -2H3; GYBXAGDWMCJZJK-UHFFFAOYSA-N |
CCN(CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl; CCN (CC)CCCCN1c2ccccc2Oc3ccc(Cl)cc13; Clc2cc 1N(c3c(Oc1cc2)cccc3)CCCCN(CC)CC |
4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine; 10-DEBC |
| 40100 |  RTY ZINC000098209379 |
0 | C14 H20 Br N O4 | InChI=1S/C14H20BrNO4/c15- 9-13(17)12(16)8-10-3-5-11 (6-4-10)20-7-1-2-14(18)19 /h3-6,12-13,17H,1-2,7-9,1 6H2,(H,18,19)/t12-,13-/m0 /s1; PYFHTJYYTRWEBY-STQMWFEESA-N |
c1cc(ccc1C[C@@H]([C@H](CBr)O)N)OCCCC(=O) O; N[C@@H](Cc1ccc(OCCCC(O)=O)cc1)[C@@H]( O)CBr; c1cc(ccc1CC(C(CBr)O)N)OCCCC(=O)O; N[CH](Cc1ccc(OCCCC(O)=O)cc1)[CH](O)CBr; BrCC(O)C(N)Cc1ccc(OCCCC(=O)O)cc1 |
4-{4-[(2S,3R)-2-amino-4-bromo-3-hydroxybutyl]phenoxy}butanoic acid |
| 40101 |  RTZ CHEMBL1357558 ZINC000001530697 |
22 | C21 H26 N2 S2 | InChI=1S/C21H26N2S2/c1-22 -13-6-5-7-16(22)12-14-23- 18-8-3-4-9-20(18)25-21-11 -10-17(24-2)15-19(21)23/h 3-4,8-11,15-16H,5-7,12-14 H2,1-2H3/t16-/m1/s1; KLBQZWRITKRQQV-MRXNPFEDSA-N |
S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4) C; CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c 1; CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC; C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4 )SC; CSc1ccc2Sc3ccccc3N(CC[C@H]4CCCCN4C) c2c1 |
10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine |
| 40102 |  RU |
13 | Ru | InChI=1S/Ru/q+3; BPEVHDGLPIIAGH-UHFFFAOYSA-N |
[Ru+3] | RUTHENIUM ION |
| 40103 |  RU0 |
2 | C8 H12 Cl2 O8 Ru2 | InChI=1S/4C2H4O2.2ClH.2Ru /c4*1-2(3)4;;;;/h4*1H3,(H ,3,4);2*1H;;/q;;;;;;2*+3/ p-6; VJFVKLYKWCORIY-UHFFFAOYSA-H |
CC1=O|[Ru]|234(Cl)|O=C(C)O[Ru]|2(Cl)(|O= C(C)O3)(|O=C(C)O4)O1; Cl[Ru]2314oc(o[Ru] 4(Cl)(oc(o1)C)(oc(o2)C)oc(o3)C)C; CC1=O[ Ru]234(=[Ru](O1)(O=C(O2)C)(O=C(O3)C)(OC( =O4)C)Cl)Cl |
Tetrakis(acetato)chloridodiruthenium(II,III) |
| 40104 |  RU1 |
4 | C2 O2 Ru | InChI=1S/2CO.Ru/c2*1-2;/q 2*+1;+2; HLYOBVRGNSSECA-UHFFFAOYSA-N |
C(#[O+])[Ru+2]C#[O+]; [O+]#C[Ru++]C#[O+] ; [O+]#C[Ru+2]C#[O+] |
bis(oxidaniumylidynemethyl)ruthenium(2+) |
| 40105 |  RU2 |
2 | C H10 O6 Ru | InChI=1S/CO.5H2O.Ru/c1-2; ;;;;;/h;5*1H2;/q+1;;;;;;+ 5; XGGVDGPXQXWURT-UHFFFAOYSA-N |
C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH 2+])[OH2+]; [OH2+][Ru]([OH2+])([OH2+])([ OH2+])([OH2+])C#[O+] |
pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium |
| 40106 |  RU3 |
0 | C2 H18 N8 O5 Ru2 | InChI=1S/2CH2O2.8H2N.O.2R u/c2*2-1-3;;;;;;;;;;;/h2* 1H,(H,2,3);8*1H2;;;/q;;8* -1;;2*+5/p-2; NJIATLYSFWLYKK-UHFFFAOYSA-L |
N[Ru](O[Ru](N)(N)(N)(N)OC=O)(N)(N)(N)OC= O; C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)( N)OC=O; N[Ru](N)(N)(N)(OC=O)O[Ru](N)(N)( N)(N)OC=O |
ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1) |
| 40107 |  RU4 CHEMBL1308561 ZINC000001387541 |
3 | C11 H11 N3 O2 S | InChI=1S/C11H11N3O2S/c1-2 -12-11(15)16-9-5-3-8(4-6- 9)10-7-17-14-13-10/h3-7H, 2H2,1H3,(H,12,15); VSHNRASUUBQGMG-UHFFFAOYSA-N |
CCNC(=O)Oc1ccc(cc1)c2csnn2; N(C(Oc1ccc(c c1)c2nnsc2)=O)CC |
4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate |
| 40108 |  RU5 CHEMBL179583 ZINC000003815901 |
1 | C20 H14 Cl N3 O2 | InChI=1S/C20H14ClN3O2/c21 -14-4-8-16(9-5-14)26-15-6 -1-12(2-7-15)20-23-17-10- 3-13(19(22)25)11-18(17)24 -20/h1-11H,(H2,22,25)(H,2 3,24); UXGJAOIJSROTTN-UHFFFAOYSA-N |
Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3 )cc4; c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N) Oc4ccc(cc4)Cl; NC(=O)c1ccc2nc([nH]c2c1)c 3ccc(Oc4ccc(Cl)cc4)cc3 |
2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE |
| 40109 |  RU6 ZINC000263620720 |
0 | C51 H81 N5 O13 | InChI=1S/C51H81N5O13/c1-1 5-38-51(10)43(56(48(61)69 -51)22-17-16-21-55-27-36( 53-28-55)35-19-18-20-52-2 6-35)31(4)40(57)29(2)24-5 0(9,63-14)45(68-47-41(58) 37(54(11)12)23-30(3)64-47 )32(5)42(33(6)46(60)66-38 )67-39-25-49(8,62-13)44(5 9)34(7)65-39/h18-20,26-34 ,37-39,41-45,47,58-59H,15 -17,21-25H2,1-14H3/t29-,3 0-,31+,32+,33-,34+,37+,38 -,39+,41-,42+,43-,44+,45- ,47+,49-,50-,51-/m1/s1; LSUFMKOMGWIEMZ-IBNZHXLDSA-N |
O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccn c2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N( C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C )C)C; CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O) [C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H]( C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3) C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O 4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc (nc5)c6cccnc6)C; CC[C@H]1OC(=O)[C@H](C)[ C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H] (C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[ C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C (=O)[C@H](C)[C@H]4N(CCCCn5cnc(c5)c6cccnc 6)C(=O)O[C@]14C)OC; CC[CH]1OC(=O)[CH](C) [CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[ CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N( C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]4N(CC CCn5cnc(c5)c6cccnc6)C(=O)O[C]14C)OC; CCC 1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3C C(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C) C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6c ccnc6)C |
(3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE; (1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE |
| 40110 |  RU7 |
5 | C10 H14 Cl2 Ru | InChI=1S/C10H14.2ClH.Ru/c 1-8(2)10-6-4-9(3)5-7-10;; ;/h4-8H,1-3H3;2*1H;/q;;;+ 2/p-2; UCXDWSTYBSBFFB-UHFFFAOYSA-L |
CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2| 4)C|5(=C3|6)C; CC(C)C12=[CH]3[Ru]1456([C H]2=[CH]4C5(=[CH]63)C)(Cl)Cl; Cl[Ru]6543 2(Cl)C1=C6C5(=C4C3=C12C(C)C)C |
PARA-CYMENE RUTHENIUM CHLORIDE |
| 40111 |  RU8 |
5 | C34 H26 I N7 O Ru | InChI=1S/C14H10IN3O.2C10H 8N2.Ru/c15-8-12(19)18-11- 7-9-3-1-5-16-13(9)14-10(1 1)4-2-6-17-14;2*1-3-7-11- 9(5-1)10-6-2-4-8-12-10;/h 1-7H,8H2,(H,18,19);2*1-8H ;/q;;;+2; IMVNBPJSKRZLRT-UHFFFAOYSA-N |
ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccc cc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10 ; [Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6c cccc6c7ccccn|27)|n8cccc9cc(NC(=O)CI)c%10 cccn|3c%10c89; c1c2c3c4c(c1NC(=O)CI)C=CC =[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7 )C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC= [N]61 |
bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+) |
| 40112 |  RU9 CHEMBL367263 ZINC000013612095 |
1 | C20 H15 N3 O3 | InChI=1S/C20H15N3O3/c21-1 9(25)13-6-9-17-18(10-13)2 3-20(22-17)12-4-7-15(8-5- 12)26-16-3-1-2-14(24)11-1 6/h1-11,24H,(H2,21,25)(H, 22,23); PMCFOCQQFLSWEU-UHFFFAOYSA-N |
c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3) C(=O)N)O; NC(=O)c1ccc2nc([nH]c2c1)c3ccc( Oc4cccc(O)c4)cc3; O=C(c3ccc4nc(c2ccc(Oc1 cccc(O)c1)cc2)nc4c3)N |
2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE |
| 40113 |  RUA |
2 | C32 H56 N6 Ru | InChI=1S/C12H20N2.2C10H18 N2.Ru/c1-9-3-5-13-11(7-9) 12-8-10(2)4-6-14-12;2*1-3 -7-11-9(5-1)10-6-2-4-8-12 -10;/h3,10-12H,4-8H2,1-2H 3;2*9-10H,1-8H2;/q3*-2;+6 /t10-,11?,12?;2*9-,10?;/m 011./s1; YAYKSGBDMCLSRX-YMKCNCASSA-N |
C[CH]1CCN2[CH](C1)[CH]3CC(=CCN3[Ru]245(N 6CCCC[CH]6[CH]7CCCCN47)N8CCCC[CH]8[CH]9C CCCN59)C; C[C@H]1CCN2[C@@H](C1)[C@@H]3CC (=CCN3[Ru]245(N6CCCC[C@@H]6[C@@H]7CCCCN4 7)N8CCCC[C@@H]8[C@H]9CCCCN59)C; CC1CCN2C (C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7) N8CCCCC8C9N5CCCC9)C; N92C(C1N(CCC(C1)C)[ Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCC C7)CC(=CC9)C |
(4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE) |
| 40114 |  RUB |
70 | C5 H12 O11 P2 | InChI=1S/C5H12O11P2/c6-3( 1-15-17(9,10)11)5(8)4(7)2 -16-18(12,13)14/h3,5-6,8H ,1-2H2,(H2,9,10,11)(H2,12 ,13,14)/t3-,5-/m1/s1; YAHZABJORDUQGO-NQXXGFSBSA-N |
C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O )(O)O; O[CH](CO[P](O)(O)=O)[CH](O)C(=O)C O[P](O)(O)=O; O=P(O)(O)OCC(O)C(O)C(=O)CO P(=O)(O)O; C(C(C(C(=O)COP(=O)(O)O)O)O)OP (=O)(O)O; O[C@H](CO[P](O)(O)=O)[C@@H](O) C(=O)CO[P](O)(O)=O |
RIBULOSE-1,5-DIPHOSPHATE |
| 40115 |  RUC |
2 | C6 H6 Ru | InChI=1S/C6H6.Ru/c1-2-4-6 -5-3-1;/h1-6H;; BFWXATGPNNYZKL-UHFFFAOYSA-N |
[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH ]63; [Ru].C1=CC=CC=C1 |
(eta6-benzene)ruthenium |
| 40116 |  RUD |
7 | C16 H24 Cl2 N3 O2 P Ru | InChI=1S/C10H12O2.C6H12N3 P.2ClH.Ru/c1-8-2-4-9(5-3- 8)6-7-10(11)12;1-7-2-9-3- 8(1)5-10(4-7)6-9;;;/h2-5H ,6-7H2,1H3,(H,11,12);1-6H 2;2*1H;/q;;;;+1/p-1; UZIJOIXYBLAWLW-UHFFFAOYSA-M |
[Ru](P13CN2CN(C1)CN(C2)C3)(Cl)Cl.c1(C)cc c(cc1)CCC(=O)O; Cc1ccc(cc1)CCC(=O)O.C1N2 CN3CN1C[P](C2)(C3)[Ru](Cl)Cl; Cc1ccc(CCC (O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4 |
[ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2 |
| 40117 |  RUE CHEMBL4216076 |
2 | C18 H18 N2 O6 | InChI=1S/C18H18N2O6/c21-1 6(19-26)11-20(9-12-3-1-5- 14(7-12)17(22)23)10-13-4- 2-6-15(8-13)18(24)25/h1-8 ,26H,9-11H2,(H,19,21)(H,2 2,23)(H,24,25); KHSBLMDTVROJFV-UHFFFAOYSA-N |
c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)C C(=O)NO; ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2 cccc(c2)C(O)=O |
3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid; 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid; MWT-S-270; CHEMBL4216076 |
| 40118 |  RUF CHEMBL1235760 ZINC000004815853 |
4 | C18 H21 Cl N6 O2 | InChI=1S/C18H21ClN6O2/c1- 22-15-14(16(26)23(2)18(22 )27)25(11-12-5-3-4-6-13(1 2)19)17(21-15)24-9-7-20-8 -10-24/h3-6,20H,7-11H2,1- 2H3; PDZWWGBRZISNRL-UHFFFAOYSA-N |
Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4 CCNCC4; CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4c cccc4Cl)c2C1=O; CN1c2c(n(c(n2)N3CCNCC3)C c4ccccc4Cl)C(=O)N(C1=O)C |
7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione |
| 40119 |  RUG CHEMBL602068 ZINC000045368693 |
1 | C9 H15 N3 O6 | InChI=1S/C9H15N3O6/c13-2- 4-1-12(11-10-4)9-8(17)7(1 6)6(15)5(3-14)18-9/h1,5-9 ,13-17H,2-3H2/t5-,6-,7+,8 -,9-/m1/s1; BHGZOVXPACYZLI-SYHAXYEDSA-N |
c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H]( O2)CO)O)O)O)CO; OC[CH]1O[CH]([CH](O)[CH] (O)[CH]1O)n2cc(CO)nn2; OC[C@H]1O[C@H]([C @H](O)[C@@H](O)[C@@H]1O)n2cc(CO)nn2; n1n n(cc1CO)C2OC(C(O)C(O)C2O)CO; c1c(nnn1C2C (C(C(C(O2)CO)O)O)O)CO |
1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole; 1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole; 1-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole; 1-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole |
| 40120 |  RUH |
0 | C16 H22 Cl N2 Ru | InChI=1S/C14H10.C2H6N2.Cl H.Ru/c1-2-6-12-10-14-8-4- 3-7-13(14)9-11(12)5-1;3-1 -2-4;;/h1-2H,5-6,9-10H2;3 -4H,1-2H2;1H;/q;-2;;+3/p- 1; GYWLGEANONYPCA-UHFFFAOYSA-M |
C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67 )CC9=C(C8)CC=CC9)Cl; NCCN.Cl[Ru].C1C=CCC 2=C1CC3=C(C2)C=CC=C3; [Ru]493215(C=68C1= C2C3=C4C5=6CC=7CC=CCC=7C8)(NCCN9)Cl |
(ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl |
| 40121 |  RUI |
1 | C18 H7 N2 O2 Ru | InChI=1S/C12H7N2O.C5H.CO. Ru/c15-12-10-4-3-8-2-1-6- 13-11(8)9(10)5-7-14-12;1- 2-4-5-3-1;1-2;/h1-4,6-7H, (H,14,15);1H;;; KWEXAKARNWEITR-UHFFFAOYSA-N |
c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)( C9=C5[C]6C7=C89)C#O; [Ru]|1|2|3|45(|[C-] #[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c( =O)[nH]cc5c9c78 |
Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium |
| 40122 |  RUJ ZINC000098209380 |
1 | C7 H17 N2 O2 | InChI=1S/C7H16N2O2/c1-8(9 (2,3)4)6-5-7(10)11/h5-6H2 ,1-4H3/p+1; NXHYIEABELXCMM-UHFFFAOYSA-O |
O=C(O)CCN([N+](C)(C)C)C; CN(CCC(O)=O)[N+ ](C)(C)C; CN(CCC(=O)O)[N+](C)(C)C |
3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE |
| 40123 |  RUL |
0 | C64 H44 N14 Ru2 | InChI=1S/C24H12N6.4C10H8N 2.2Ru/c1-5-13-17(25-9-1)1 8-14(6-2-10-26-18)22-21(1 3)29-23-15-7-3-11-27-19(1 5)20-16(24(23)30-22)8-4-1 2-28-20;4*1-3-7-11-9(5-1) 10-6-2-4-8-12-10;;/h1-12H ;4*1-8H;;/q;;;;;2*+2; CUPZTUKKQZECGK-UHFFFAOYSA-N |
C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([ N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC= [N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1) C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=C C=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC= CC=[N]51; n1c%13c(nc4c1c2cccn%11c2c3n(cc cc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8c cccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13 cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16c cccn%16%17)n%18ccccc%18c%19ccccn%19%20; [Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccc cc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c% 11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17c cccc%17c%18ccccn|%15%18)(|n%19ccccc%19c% 20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%1 2nc9%11 |
tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) |
| 40124 |  RUM CHEMBL1235761 ZINC000058638406 |
4 | C17 H18 Br N5 O | InChI=1S/C17H18BrN5O/c18- 15-9-21-17(22-7-3-6-14(20 )11-22)23(16(15)24)10-13- 5-2-1-4-12(13)8-19/h1-2,4 -5,9,14H,3,6-7,10-11,20H2 /t14-/m1/s1; GGCILSXUAHLDMF-CQSZACIVSA-N |
c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCCC(C3)N)B r)C#N; c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[ C@H](C3)N)Br)C#N; N[CH]1CCCN(C1)C2=NC=C( Br)C(=O)N2Cc3ccccc3C#N; N[C@@H]1CCCN(C1) C2=NC=C(Br)C(=O)N2Cc3ccccc3C#N; N#Cc1ccc cc1CN3C(=O)C(Br)=CN=C3N2CC(N)CCC2 |
2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile |
| 40125 |  RUN CHEMBL326473 |
4 | C38 H46 N4 O5 | InChI=1S/C38H46N4O5/c1-25 (2)34(42-38(46)47-24-29-1 8-12-7-13-19-29)37(45)41- 31(21-28-16-10-6-11-17-28 )33(43)22-30(20-27-14-8-5 -9-15-27)36-39-23-32(40-3 6)35(44)26(3)4/h5-19,23,2 5-26,30-31,33-34,43H,20-2 2,24H2,1-4H3,(H,39,40)(H, 41,45)(H,42,46)/t30-,31+, 33+,34+/m1/s1; RQAVEWKEUKIFLD-LVPKLHHISA-N |
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H] (Cc2ccccc2)[C@@H](O)C[C@@H](Cc3ccccc3)c4 [nH]c(cn4)C(=O)C(C)C; O=C(OCc1ccccc1)NC( C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3cc ccc3)Cc4ccccc4)C(C)C; CC(C)C(C(=O)NC(Cc1 ccccc1)C(CC(Cc2ccccc2)c3[nH]c(cn3)C(=O)C (C)C)O)NC(=O)OCc4ccccc4; CC(C)[C@@H](C(= O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccc cc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4c cccc4; CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N [CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)c4 [nH]c(cn4)C(=O)C(C)C |
2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE; SB206343 |
| 40126 |  RUO |
0 | O Ru3 | InChI=1S/O.3Ru; VRRCAPVAMMGJAC-UHFFFAOYSA-N |
O([Ru])([Ru])[Ru]; [Ru][O]([Ru])[Ru] | oxo-centered triruthenium cluster |
| 40127 |  RUP |
1 | C29 H37 N5 O2 | InChI=1S/C29H37N5O2/c30-2 6(31)24-8-4-7-20(14-24)15 -25(27(35)32-10-9-19-5-2- 1-3-6-19)33-28(36)34-29-1 6-21-11-22(17-29)13-23(12 -21)18-29/h1-8,14,21-23,2 5H,9-13,15-18H2,(H3,30,31 )(H,32,35)(H2,33,34,36)/t 21-,22+,23-,25-,29-/m1/s1; QYKLXCYULDLMPX-ZEFMGYOLSA-N |
c1ccc(cc1)CCNC(=O)C(Cc2cccc(c2)C(=N)N)NC (=O)NC34CC5CC(C3)CC(C5)C4; NC(=N)c1cccc( C[CH](NC(=O)NC23CC4CC(CC(C4)C2)C3)C(=O)N CCc5ccccc5)c1; NC(=N)c1cccc(C[C@@H](NC(= O)NC23CC4CC(CC(C4)C2)C3)C(=O)NCCc5ccccc5 )c1; c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2 )C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4; O=C (NCCc1ccccc1)C(NC(=O)NC23CC4CC(C2)CC(C3) C4)Cc5cc(C(=[N@H])N)ccc5 |
(R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE |
| 40128 |  RUQ |
1 | Cu3 H S2 | InChI=1S/3Cu.H2S.S/h;;;1H 2;/q;;+1;;+1/p-1; GESPGIVOECOYJT-UHFFFAOYSA-M |
S[Cu][S+]([Cu])[Cu] | (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper |
| 40129 |  RUR |
3 | C34 H36 N4 O4 Ru | InChI=1S/C34H38N4O4.Ru/c1 -7-21-17(3)25-13-26-19(5) 23(9-11-33(39)40)31(37-26 )16-32-24(10-12-34(41)42) 20(6)28(38-32)15-30-22(8- 2)18(4)27(36-30)14-29(21) 35-25;/h13-16H,7-12H2,1-6 H3,(H4,35,36,37,38,39,40, 41,42);/q;+2/p-2/b25-13-, 26-13-,27-14-,28-15-,29-1 4-,30-15-,31-16-,32-16-;; UBGGULWHFXPIQZ-RGGAHWMASA-L |
CCC1=C(C)C2=N3|[Ru]45|N6=C(C=c7n4c(=C2)c (C)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C )c8CC)CCC(O)=O; CCc1c(c2n3c1C=C4C(=C(C5= [N]4[Ru]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC( =O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C; CCc1c (c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C= C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC) C)CCC(=O)O)C)C; O=C(O)CCC1=C(C2=Cc7c(c(c 6C=C8N3=C(C=C4C(=C(C5=CC1=N2[Ru]3(N45)n6 7)CCC(=O)O)C)C(=C8CC)C)C)CC)C |
[3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium; MESOPORPHYRIN IX CONTAINING RU |
| 40130 |  RUS |
0 | C9 H13 N2 O8 P Se | InChI=1S/C9H13N2O8PSe/c12 -5-1-2-11(9(21)10-5)8-7(1 4)6(13)4(19-8)3-18-20(15, 16)17/h1-2,4,6-8,13-14H,3 H2,(H,10,12,21)(H2,15,16, 17)/t4-,6-,7-,8-/m1/s1; OOOIYMZGLXSVKX-XVFCMESISA-N |
C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H] ([C@H](O2)COP(=O)(O)O)O)O; O[C@H]1[C@@H] (O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(= O)N=C2[SeH]; O=P(O)(O)OCC2OC(N1C(=NC(=O) C=C1)[SeH])C(O)C2O; C1=CN(C(=NC1=O)[SeH] )C2C(C(C(O2)COP(=O)(O)O)O)O; O[CH]1[CH]( O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)N=C 2[SeH] |
1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one |
| 40131 |  RUT CHEMBL226335 DB01698 ZINC000004096846 |
5 | C27 H30 O16 | InChI=1S/C27H30O16/c1-8-1 7(32)20(35)22(37)26(40-8) 39-7-15-18(33)21(36)23(38 )27(42-15)43-25-19(34)16- 13(31)5-10(28)6-14(16)41- 24(25)9-2-3-11(29)12(30)4 -9/h2-6,8,15,17-18,20-23, 26-33,35-38H,7H2,1H3/t8-, 15+,17-,18+,20+,21-,22+,2 3+,26+,27-/m0/s1; IKGXIBQEEMLURG-NVPNHPEKSA-N |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C @@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C( Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O )O)O)O; C[C@@H]1O[C@@H](OC[C@H]2O[C@@H]( OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5 )[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H] (O)[C@H]1O; CC1C(C(C(C(O1)OCC2C(C(C(C(O2 )OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O) O)O)O)O)O)O)O; C[CH]1O[CH](OC[CH]2O[CH]( OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5 )[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH] 1O; O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O )C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O )c5 |
RUTIN; 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE |
| 40132 |  RUU |
14 | C5 H10 O5 | InChI=1S/C5H10O5/c6-2-5(9 )4(8)3(7)1-10-5/h3-4,6-9H ,1-2H2/t3-,4-,5+/m0/s1; LQXVFWRQNMEDEE-VAYJURFESA-N |
OC[C@@]1(O)OC[C@H](O)[C@@H]1O; OCC1(O)OC C(O)C1O; C1C(C(C(O1)(CO)O)O)O; OC[C]1(O) OC[CH](O)[CH]1O; C1[C@@H]([C@@H]([C@](O1 )(CO)O)O)O |
alpha-L-ribulofuranose; alpha-L-ribulose; L-ribulose; ribulose |
| 40133 |  RUV ZINC000000030082 |
1 | C11 H11 N5 O2 | InChI=1S/C11H11N5O2/c1-8( 17)14-10-4-2-9(3-5-10)11( 18)15-16-6-12-13-7-16/h2- 7H,1H3,(H,14,17)(H,15,18); AGTLIJXMGDFIBI-UHFFFAOYSA-N |
CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2; N(C(C)=O )c1ccc(cc1)C(=O)Nn2cnnc2 |
4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide |
| 40134 |  RUW |
5 | C20 H36 N6 O | InChI=1S/C20H36N6O/c1-5-7 -8-9-10-11-12-21-18-17-19 (26(14-22-17)15(3)4)25-20 (24-18)23-16(6-2)13-27/h1 4-16,27H,5-13H2,1-4H3,(H2 ,21,23,24,25)/t16-/m1/s1; PBCJJKFPGZLSLZ-MRXNPFEDSA-N |
CCCCCCCCNc1nc(N[CH](CC)CO)nc2n(cnc12)C(C )C; CCCCCCCCNc1nc(N[C@H](CC)CO)nc2n(cnc1 2)C(C)C; CCCCCCCCNc1c2c(nc(n1)N[C@H](CC) CO)n(cn2)C(C)C; CCCCCCCCNc1c2c(nc(n1)NC( CC)CO)n(cn2)C(C)C |
(2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| 40135 |  RUX |
2 | C29 H24 N4 O5 Ru | InChI=1S/C14H11N4.C14H13O 4.CO.Ru/c1-9-17-13-6-5-10 (8-11(13)14(15)18-9)12-4- 2-3-7-16-12;1-16-11-8-5-9 -12(17-2)13(11)18-14(15)1 0-6-3-4-7-10;1-2;/h2-4,6- 8H,1H3,(H2,15,17,18);3-9H ,1-2H3;;; AOUPQUZYXKBCEC-UHFFFAOYSA-N |
O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C- ]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6; COc1cccc(OC)c1OC(=O)C2([Ru]3(|[C-]#[O+]) |n4ccccc4c5cc6c(N)nc(C)nc6cc35)C=CC=C2; Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3( [C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)O C |
[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium |
| 40136 |  RUY CHEMBL1330631 ZINC000000322796 |
3 | C7 H12 N4 O | InChI=1S/C7H12N4O/c8-6-7( 10-12-9-6)11-4-2-1-3-5-11 /h1-5H2,(H2,8,9); RVSIGDHRHURXCQ-UHFFFAOYSA-N |
C1CCN(CC1)c2c(non2)N; Nc1nonc1N2CCCCC2; N2(c1nonc1N)CCCCC2 |
4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine |
| 40137 |  RUZ |
1 | C16 H23 N5 O9 S | InChI=1S/C16H23N5O9S/c17- 8-1-7(3-22)2-10-12(8)21(6 -19-10)16-14(25)13(24)11( 30-16)5-29-31(27,28)20-15 (26)9(18)4-23/h1-2,6,9,11 ,13-14,16,22-25H,3-5,17-1 8H2,(H,20,26)/t9-,11+,13+ ,14+,16+/m0/s1; YZMBOMBSTSCXHY-LMOQKQACSA-N |
N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([ CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23; N[C@@ H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C @H](O)[C@@H]1O)n2cnc3cc(CO)cc(N)c23; c1c (cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H ](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO; c1c(cc2c(c1N)n(cn2)C3C(C(C(O3)COS(=O)(= O)NC(=O)C(CO)N)O)O)CO |
[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate; SerS7HMDDA |
| 40138 |  RV0 |
1 | C20 H18 Cl N3 O3 S | InChI=1S/C20H18ClN3O3S/c1 -2-20(12-23-28(26,27)18-8 -7-14(21)9-16(18)20)19(25 )24-17-11-22-10-13-5-3-4- 6-15(13)17/h3-11,23H,2,12 H2,1H3,(H,24,25)/t20-/m1/ s1; MYVKMPCLLUQWHY-HXUWFJFHSA-N |
CC[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)N c3cncc4ccccc34; CC[C@]1(CN[S](=O)(=O)c2c cc(Cl)cc12)C(=O)Nc3cncc4ccccc34; CCC1(CN S(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc cc4; Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O) Nc1cncc2ccccc21; CC[C@]1(CNS(=O)(=O)c2c1 cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
| 40139 |  RV1 CHEMBL3414693 |
3 | C10 H12 N2 O3 S | InChI=1S/C10H12N2O3S/c11- 8-3-5-9(6-4-8)16(14,15)12 -10(13)7-1-2-7/h3-7H,1-2, 11H2,(H,12,13); KTKSMAGLIAHVSM-UHFFFAOYSA-N |
O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2; c1cc(cc c1N)S(=O)(=O)NC(=O)C2CC2; Nc1ccc(cc1)[S] (=O)(=O)NC(=O)C2CC2 |
N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide |
| 40140 |  RV2 CHEMBL4210355 |
2 | C19 H13 Cl N2 O5 | InChI=1S/C19H13ClN2O5/c20 -13-4-5-16(15(9-13)19(25) 26)22-18(24)17(23)21-14-3 -1-2-11(8-14)12-6-7-27-10 -12/h1-10H,(H,21,23)(H,22 ,24)(H,25,26); MSFCICRWSXXZFO-UHFFFAOYSA-N |
OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2) c3cocc3; c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc 2C(=O)O)Cl)c3ccoc3 |
5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid; 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid; TM5484; CHEMBL4210355 |
| 40141 |  RV3 |
1 | C18 H14 N4 O3 | InChI=1S/C18H14N4O3/c23-1 7(10-5-6-14-15(7-10)21-9- 20-14)19-8-12-11-3-1-2-4- 13(11)22-16(12)18(24)25/h 1-7,9,22H,8H2,(H,19,23)(H ,20,21)(H,24,25); ZBKHDPZXZUDEDP-UHFFFAOYSA-N |
c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc 4c(c3)nc[nH]4; OC(=O)c1[nH]c2ccccc2c1CNC (=O)c3ccc4[nH]cnc4c3; O=C(O)c1[NH]c2cccc c2c1CNC(=O)c1ccc2[NH]cnc2c1 |
3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid |
| 40142 |  RV4 ZINC000019633913 |
3 | C13 H18 N2 O2 | InChI=1S/C13H18N2O2/c1-11 (16)14-13-4-2-12(3-5-13)1 0-15-6-8-17-9-7-15/h2-5H, 6-10H2,1H3,(H,14,16); KFRGDVNNAPFDCF-UHFFFAOYSA-N |
CC(=O)Nc1ccc(CN2CCOCC2)cc1; CC(=O)Nc1ccc (cc1)CN2CCOCC2; N(C(C)=O)c1ccc(cc1)CN2CC OCC2 |
N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide |
| 40143 |  RV5 CHEMBL2325198 ZINC000095581007 |
1 | C14 H17 N5 O2 S | InChI=1S/C14H17N5O2S/c20- 13(19-6-2-1-3-7-19)9-15-1 4(21)16-10-4-5-11-12(8-10 )22-18-17-11/h4-5,8H,1-3, 6-7,9H2,(H2,15,16,21); MYTRGTBDVGKKRO-UHFFFAOYSA-N |
O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2; c1cc 2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2 |
N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327; 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea |
| 40144 |  RV6 CHEMBL518813 ZINC000040393343 |
6 | C23 H27 N7 O | InChI=1S/C23H27N7O/c1-4-1 7(13-31)27-23-28-21(20-22 (29-23)30(14-25-20)15(2)3 )26-18-10-8-16(9-11-18)19 -7-5-6-12-24-19/h5-12,14- 15,17,31H,4,13H2,1-3H3,(H 2,26,27,28,29)/t17-/m1/s1; CWYPIRLIVVXCBY-QGZVFWFLSA-N |
CC[C@H](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3)c4n cn(C(C)C)c4n1; CCC(CO)Nc1nc(c2c(n1)n(cn2 )C(C)C)Nc3ccc(cc3)c4ccccn4; CC[C@H](CO)N c1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccc cn4; CC[CH](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3 )c4ncn(C(C)C)c4n1 |
(2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol |
| 40145 |  RV7 DB03439 |
0 | C6 H13 N O4 | InChI=1S/C6H13NO4/c1-2-3( 7)4(8)5(9)6(10)11-2/h2-6, 8-10H,7H2,1H3/t2-,3-,4+,5 -,6+/m1/s1; RJKBJEZZABBYBA-DVKNGEFBSA-N |
C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N; C[C@ @H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N; C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H] 1N; CC1C(C(C(C(O1)O)O)O)N; C1(OC(C(C(C1O )O)N)C)O |
4-amino-4,6-dideoxy-alpha-D-glucopyranose |
| 40146 |  RV8 ZINC000003643619 |
1 | C12 H15 N3 O6 | InChI=1S/C12H15N3O6/c16-1 0-13(1-7-4-19-7)11(17)15( 3-9-6-21-9)12(18)14(10)2- 8-5-20-8/h7-9H,1-6H2/t7-, 8-,9-/m0/s1; OUPZKGBUJRBPGC-CIUDSAMLSA-N |
C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H] 3CO3)C[C@H]4CO4; O=C1N(C[CH]2CO2)C(=O)N( C[CH]3CO3)C(=O)N1C[CH]4CO4; C1C(O1)CN2C( =O)N(C(=O)N(C2=O)CC3CO3)CC4CO4; O=C1N(C[ C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H] 4CO4 |
Triglycidyl isocyanurate; 1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione |
| 40147 |  RVA ZINC000095920818 |
4 | C16 H12 O6 | InChI=1S/C16H12O6/c17-14- 11(15(18)19)7-4-8-12(14)2 2-13(16(20)21)9-10-5-2-1- 3-6-10/h1-9,17H,(H,18,19) (H,20,21)/b13-9-; GJZVTQNBNWGGSJ-LCYFTJDESA-N |
OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2; c 1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O) O; c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O )O; OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/c2ccc cc2; O=C(O)c2cccc(O/C(C(=O)O)=C\c1ccccc1 )c2O |
3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid |
| 40148 |  RVB ZINC000095920990 |
4 | C13 H14 O6 | InChI=1S/C13H14O6/c1-7(2) 6-10(13(17)18)19-9-5-3-4- 8(11(9)14)12(15)16/h3-7,1 4H,1-2H3,(H,15,16)(H,17,1 8)/b10-6-; JVNCGLFIPFSTSG-POHAHGRESA-N |
CC(C)C=C(Oc1cccc(C(O)=O)c1O)C(O)=O; CC(C )\C=C(/Oc1cccc(C(O)=O)c1O)C(O)=O; O=C(O) c1cccc(O/C(C(=O)O)=C\C(C)C)c1O; CC(C)C=C (C(=O)O)Oc1cccc(c1O)C(=O)O; CC(C)/C=C(/C (=O)O)\Oc1cccc(c1O)C(=O)O |
3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| 40149 |  RVC ZINC000095920672 |
4 | C13 H12 O6 | InChI=1S/C13H12O6/c14-11- 8(12(15)16)2-1-3-9(11)19- 10(13(17)18)6-7-4-5-7/h1- 3,6-7,14H,4-5H2,(H,15,16) (H,17,18)/b10-6-; RBBOJHGNWUPRCK-POHAHGRESA-N |
c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O) O; OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/C2CC2; c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O; OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2; O=C (O)c2c(O)c(O\C(=C/C1CC1)C(=O)O)ccc2 |
3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid |
| 40150 |  RVD ZINC000095921036 |
4 | C12 H12 O6 | InChI=1S/C12H12O6/c1-2-4- 9(12(16)17)18-8-6-3-5-7(1 0(8)13)11(14)15/h3-6,13H, 2H2,1H3,(H,14,15)(H,16,17 )/b9-4-; NMNSLXCRMLAOLT-WTKPLQERSA-N |
CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O; CCC= C(Oc1cccc(C(O)=O)c1O)C(O)=O; CCC=C(C(=O) O)Oc1cccc(c1O)C(=O)O; O=C(O)c1cccc(O/C(C (=O)O)=C\CC)c1O; CC\C=C(/Oc1cccc(C(O)=O) c1O)C(O)=O |
3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid |
| 40151 |  RVE ZINC000087613188 |
2 | C10 H8 O6 | InChI=1S/C10H8O6/c1-5(9(1 2)13)16-7-4-2-3-6(8(7)11) 10(14)15/h2-4,11H,1H2,(H, 12,13)(H,14,15); RFJWXQPFGYFIBS-UHFFFAOYSA-N |
O=C(O)c1cccc(O/C(C(=O)O)=C)c1O; C=C(C(=O )O)Oc1cccc(c1O)C(=O)O; OC(=O)C(=C)Oc1ccc c(C(O)=O)c1O |
3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid |
| 40152 |  RVF |
1 | C18 H14 N4 O4 | InChI=1S/C18H14N4O4/c23-1 6(9-5-6-13-14(7-9)22-18(2 6)21-13)19-8-11-10-3-1-2- 4-12(10)20-15(11)17(24)25 /h1-7,20H,8H2,(H,19,23)(H ,24,25)(H2,21,22,26); XGVGMKBKRWQGTN-UHFFFAOYSA-N |
c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc 4c(c3)nc([nH]4)O; OC(=O)c1[nH]c2ccccc2c1 CNC(=O)c3ccc4[nH]c(O)nc4c3; O=C(O)c1[NH] c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1 |
3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid |
| 40153 |  RVG |
0 | C8 H16 O5 | InChI=1S/C8H16O5/c1-4-5(9 )6(11-2)7(12-3)8(10)13-4/ h4-10H,1-3H3/t4-,5-,6+,7- ,8-/m1/s1; SXWBIRCAXZNEGK-JAJWTYFOSA-N |
OC1C(OC)C(OC)C(OC1C)O; CC1C(C(C(C(O1)O)O C)OC)O; CO[CH]1[CH](O)O[CH](C)[CH](O)[CH ]1OC; CO[C@H]1[C@H](O)O[C@H](C)[C@@H](O) [C@@H]1OC; C[C@@H]1[C@H]([C@@H]([C@H]([C @@H](O1)O)OC)OC)O |
6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose |
| 40154 |  RVH ZINC000036579810 |
6 | C18 H16 N4 O2 | InChI=1S/C18H16N4O2/c1-11 (22-10-12-6-2-3-7-13(12)1 7(22)24)16(23)21-18-19-14 -8-4-5-9-15(14)20-18/h2-9 ,11H,10H2,1H3,(H2,19,20,2 1,23)/t11-/m1/s1; PWSSISUOJZBZFT-LLVKDONJSA-N |
C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4cccc c4n3; CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccc cc4C3=O; C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc 3[nH]c4ccccc4n3; C[C@H](C(=O)Nc1[nH]c2cc ccc2n1)N3Cc4ccccc4C3=O |
(2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide |
| 40155 |  RVI ZINC000072177973 |
1 | C29 H37 N3 O | InChI=1S/C29H37N3O/c1-3-9 -23(29(33)31-19-21-11-5-4 -6-12-21)17-25-18-24-16-2 2(14-15-27(24)32-28(25)30 )26-13-8-7-10-20(26)2/h7- 8,10,13-16,18,21,23H,3-6, 9,11-12,17,19H2,1-2H3,(H2 ,30,32)(H,31,33)/t23-/m1/ s1; KSRGIPYZQZCBMH-HSZRJFAPSA-N |
CCC[CH](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O )NCC4CCCCC4; CCC[C@H](Cc1cc2cc(ccc2nc1N) c3ccccc3C)C(=O)NCC4CCCCC4; O=C(NCC1CCCCC 1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C; CCC C(Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4C CCCC4 |
(2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide; 2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide |
| 40156 |  RVJ |
0 | C3 H10 N4 O2 | InChI=1S/C3H10N4O2/c4-2(3 (8)9)1-6-7-5/h2,6-7H,1,4- 5H2,(H,8,9)/t2-/m0/s1; CPNWKFOHPKABKD-REOHCLBHSA-N |
NC(CNNN)C(=O)O; C(C(C(=O)O)N)NNN; NNNC[C @H](N)C(O)=O; C([C@@H](C(=O)O)N)NNN; NNN C[CH](N)C(O)=O |
3-triazan-1-yl-L-alanine |
| 40157 |  RVK |
3 | C16 H25 N5 O14 P2 | InChI=1S/C16H25N5O14P2/c1 -30-16-12(25)10(23)7(34-1 6)3-32-37(28,29)35-36(26, 27)31-2-6-9(22)11(24)15(3 3-6)21-5-20-8-13(17)18-4- 19-14(8)21/h4-7,9-12,15-1 6,22-25H,2-3H2,1H3,(H,26, 27)(H,28,29)(H2,17,18,19) /t6-,7-,9-,10-,11-,12-,15 -,16+/m1/s1; XNNSDOSOBTWHPT-DBXCYWGHSA-N |
CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)( O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O 2)n3cnc4c3ncnc4N)O)O)O)O; CO[CH]1O[CH](C O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH]( O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O; CO[C@H]1O[C@H](CO[P](O)(=O)O[P](O)(=O)O C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N )ncnc34)[C@@H](O)[C@H]1O; COC1C(C(C(O1)C OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3n cnc4N)O)O)O)O |
Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere; [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl hydrogen phosphate; J3.653.949F; alpha-1''-O-methyl-ADP ribose |
| 40158 |  RVL |
2 | C24 H21 Cl N4 O3 | InChI=1S/C24H21ClN4O3/c1- 26-23(32)24(8-9-24)29-13- 19(18-10-15(25)6-7-17(18) 22(29)31)21(30)28-20-12-2 7-11-14-4-2-3-5-16(14)20/ h2-7,10-12,19H,8-9,13H2,1 H3,(H,26,32)(H,28,30)/t19 -/m1/s1; IDFXYIJLVZRFSF-LJQANCHMSA-N |
CNC(=O)C1(CC1)N2C[C@@H](C(=O)Nc3cncc4ccc cc34)c5cc(Cl)ccc5C2=O; CNC(=O)C1(CC1)N2C C(c3cc(ccc3C2=O)Cl)C(=O)Nc4cncc5c4cccc5; CNC(=O)C1(CC1)N2C[C@H](c3cc(ccc3C2=O)Cl )C(=O)Nc4cncc5c4cccc5; CNC(=O)C1(CC1)N1C C(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21; CNC(=O)C1(CC1)N2C[CH](C(=O)Nc3cncc4cccc c34)c5cc(Cl)ccc5C2=O |
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40159 |  RVM |
0 | C8 H16 O4 | InChI=1S/C8H16O4/c1-5-4-6 (10-2)7(11-3)8(9)12-5/h5- 9H,4H2,1-3H3/t5-,6+,7-,8+ /m1/s1; MRHDSSSOHRLNIT-CWKFCGSDSA-N |
CO[C@H]1C[C@@H](C)O[C@H](O)[C@@H]1OC; CC 1CC(C(C(O1)O)OC)OC; C1C(OC)C(OC)C(OC1C)O ; C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC ; CO[CH]1C[CH](C)O[CH](O)[CH]1OC |
4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose |
| 40160 |  RVN ZINC000095920891 |
4 | C17 H11 N O5 | InChI=1S/C17H11NO5/c19-16 -11(10-3-1-2-4-12(10)18-1 6)7-9-5-6-13-15(23-8-22-1 3)14(9)17(20)21/h1-7H,8H2 ,(H,18,19)(H,20,21)/b11-7 +; GQWXHPXXCYSHJK-YRNVUSSQSA-N |
c1ccc2c(c1)C(=Cc3ccc4c(c3C(=O)O)OCO4)C(= O)N2; OC(=O)c1c(ccc2OCOc12)\C=C3\C(=O)Nc 4ccccc34; O=C2Nc1ccccc1/C2=C\c3ccc4OCOc4 c3C(=O)O; c1ccc2c(c1)/C(=C\c3ccc4c(c3C(= O)O)OCO4)/C(=O)N2; OC(=O)c1c(ccc2OCOc12) C=C3C(=O)Nc4ccccc34 |
5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid |
| 40161 |  RVO |
1 | C13 H14 Cl N5 O | InChI=1S/C13H14ClN5O/c14- 11-12(15)17-8-18-13(11)19 -6-3-10(7-19)20-9-1-4-16- 5-2-9/h1-2,4-5,8,10H,3,6- 7H2,(H2,15,17,18)/t10-/m1 /s1; SILGAHKEYSAGRL-SNVBAGLBSA-N |
c1cnccc1OC2CCN(C2)c3c(c(ncn3)N)Cl; c1cnc cc1O[C@@H]2CCN(C2)c3c(c(ncn3)N)Cl; Clc1c (ncnc1N)N1CCC(C1)Oc1ccncc1; Nc1ncnc(N2CC [CH](C2)Oc3ccncc3)c1Cl; Nc1ncnc(N2CC[C@H ](C2)Oc3ccncc3)c1Cl |
5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine |
| 40162 |  RVP CHEMBL1235764 DB14663 ZINC000012402859 |
6 | C8 H13 N4 O8 P | InChI=1S/C8H13N4O8P/c9-6( 15)7-10-2-12(11-7)8-5(14) 4(13)3(20-8)1-19-21(16,17 )18/h2-5,8,13-14H,1H2,(H2 ,9,15)(H2,16,17,18)/t3-,4 -,5-,8-/m1/s1; SDWIOXKHTFOULX-AFCXAGJDSA-N |
c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP (=O)(O)O)O)O)C(=O)N; NC(=O)c1ncn(n1)[CH] 2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; O=C( c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N; NC( =O)c1ncn(n1)[C@@H]2O[C@H](CO[P](O)(O)=O) [C@@H](O)[C@H]2O; c1nc(nn1C2C(C(C(O2)COP (=O)(O)O)O)O)C(=O)N |
RIBAVIRIN MONOPHOSPHATE |
| 40163 |  RVQ CHEMBL5595312 |
6 | C20 H22 Cl2 N8 O | InChI=1S/C20H22Cl2N8O/c1- 11(2)30-10-24-17-18(27-20 (28-19(17)30)29-3-5-31-6- 4-29)23-9-16-25-14-7-12(2 1)13(22)8-15(14)26-16/h7- 8,10-11H,3-6,9H2,1-2H3,(H ,25,26)(H,23,27,28); DPCUNIIUTMKIKJ-UHFFFAOYSA-N |
CC(C)n1cnc2c1nc(nc2NCc3[nH]c4cc(c(cc4n3) Cl)Cl)N5CCOCC5; CC(C)n1cnc2c(NCc3[nH]c4c c(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5 |
~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine |
| 40164 |  RVR |
3 | C18 H18 Cl N3 O3 S | InChI=1S/C18H18ClN3O3S/c1 9-12-5-6-17-14(7-12)15(9- 21-26(17,24)25)18(23)22-1 6-10-20-8-11-3-1-2-4-13(1 1)16/h5-8,10,15,21H,1-4,9 H2,(H,22,23)/t15-/m1/s1; HAFJUHKWFUKUJR-OAHLLOKOSA-N |
Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2C CCCc21; c1cc2c(cc1Cl)[C@@H](CNS2(=O)=O)C (=O)Nc3cncc4c3CCCC4; c1cc2c(cc1Cl)C(CNS2 (=O)=O)C(=O)Nc3cncc4c3CCCC4; Clc1ccc2c(c 1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4CCCCc34 ; Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C(=O) Nc3cncc4CCCCc34 |
(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
| 40165 |  RVS |
2 | C22 H23 N3 O4 | InChI=1S/C22H23N3O4/c26-2 0(14-5-8-15(9-6-14)23-22( 29)24-16-10-11-16)25-19-1 7-4-2-1-3-13(17)7-12-18(1 9)21(27)28/h1-6,8-9,16,18 -19H,7,10-12H2,(H,25,26)( H,27,28)(H2,23,24,29)/t18 -,19+/m0/s1; BJZXTCJBAZHJRX-RBUKOAKNSA-N |
c1ccc2c(c1)CCC(C2NC(=O)c3ccc(cc3)NC(=O)N C4CC4)C(=O)O; c1ccc2c(c1)CC[C@@H]([C@@H] 2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O; OC (=O)[CH]1CCc2ccccc2[CH]1NC(=O)c3ccc(NC(= O)NC4CC4)cc3; O=C(NC1CC1)Nc1ccc(cc1)C(=O )NC1c2ccccc2CCC1C(=O)O; OC(=O)[C@H]1CCc2 ccccc2[C@H]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3 |
(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid |
| 40166 |  RVU ZINC000006657560 |
6 | C20 H20 N4 O3 | InChI=1S/C20H20N4O3/c1-12 -7-8-17(27-2)16(9-12)24-1 1-13(10-18(24)25)19(26)23 -20-21-14-5-3-4-6-15(14)2 2-20/h3-9,13H,10-11H2,1-2 H3,(H2,21,22,23,26)/t13-/ m0/s1; XSNQFQPVHIAZMA-ZDUSSCGKSA-N |
Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccc cc4n3)OC; COc1ccc(C)cc1N2C[CH](CC2=O)C(= O)Nc3[nH]c4ccccc4n3; COc1ccc(C)cc1N2C[C@ H](CC2=O)C(=O)Nc3[nH]c4ccccc4n3 |
~{N}-(1~{H}-benzimidazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide |
| 40167 |  RVV CHEMBL5286019 ZINC000008294954 |
2 | C7 H9 N | InChI=1S/C7H9N/c1-6-3-4-8 -7(2)5-6/h3-5H,1-2H3; JYYNAJVZFGKDEQ-UHFFFAOYSA-N |
Cc1ccnc(c1)C; Cc1cc(C)ncc1; Cc1ccnc(C)c1 | 2,4-dimethylpyridine |
| 40168 |  RVW |
1 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-1-2- 3(8)4(9)5(10)6(12)11-2/h2 -10,12H,1H2/t2-,3-,4+,5-, 6-/m0/s1; JUSMHIGDXPKSID-QYESYBIKSA-N |
OC[C@@H]1O[C@@H](S)[C@@H](O)[C@H](O)[C@H ]1O; C([C@H]1[C@@H]([C@H]([C@@H]([C@@H]( O1)S)O)O)O)O; C(C1C(C(C(C(O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O |
(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol; thioglucose |
| 40169 |  RVX ZINC000098209381 |
0 | C8 H18 N O5 P | InChI=1S/C8H18NO5P/c1-6(2 )4-13-15(3,12)14-5-7(9)8( 10)11/h6-7H,4-5,9H2,1-3H3 ,(H,10,11)/t7-,15+/m0/s1; LKLIFUVJCVCJGG-NZFNHWASSA-N |
CC(C)CO[P](C)(=O)OC[CH](N)C(O)=O; CC(C)C O[P@@](C)(=O)OC[C@H](N)C(O)=O; O=C(O)C(N )COP(=O)(OCC(C)C)C; CC(C)COP(=O)(C)OCC(C (=O)O)N; CC(C)CO[P@](=O)(C)OC[C@@H](C(=O )O)N |
O-[methyl(2-methylpropoxy)phosphoryl]-L-serine |
| 40170 |  RVY |
1 | C14 H14 N4 O2 | InChI=1S/C14H14N4O2/c1-14 (12(19)7-13(20)15-14)8-10 -9-18(17-16-10)11-5-3-2-4 -6-11/h2-6,9H,7-8H2,1H3,( H,15,20)/t14-/m0/s1; JRHLMUQJOCQPQH-AWEZNQCLSA-N |
C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3 ; n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C ; C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O; C[C@@]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O; CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3 |
(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione |
| 40171 |  RVZ CHEMBL124345 ZINC000013580865 |
1 | C17 H12 N6 S | InChI=1S/C17H12N6S/c18-8- 12-15(11-4-2-1-3-5-11)13( 9-19)17(23-16(12)20)24-10 -14-21-6-7-22-14/h1-7H,10 H2,(H2,20,23)(H,21,22); MUJWBVGOOQHTTJ-UHFFFAOYSA-N |
Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C# N; c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3 )N)C#N |
2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile |
| 40172 |  RW0 |
2 | C24 H23 Cl N4 O5 S | InChI=1S/C24H23ClN4O5S/c1 -13-22(19-9-15(25)4-6-18( 19)24(32)29(13)12-21(30)2 6-2)23(31)28-20-11-27-10- 14-8-16(35(3,33)34)5-7-17 (14)20/h4-11,13,22H,12H2, 1-3H3,(H,26,30)(H,28,31)/ t13-,22-/m1/s1; MZGOULQVWGBQGW-MCMMXHMISA-N |
CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1c2cc(C l)ccc2C(=O)N(CC(=O)NC)C1C; CC1C(c2cc(ccc 2C(=O)N1CC(=O)NC)Cl)C(=O)Nc3cncc4c3ccc(c 4)S(=O)(=O)C; CNC(=O)CN1[C@H](C)[C@@H](C (=O)Nc2cncc3cc(ccc23)[S](C)(=O)=O)c4cc(C l)ccc4C1=O; C[C@@H]1[C@H](c2cc(ccc2C(=O) N1CC(=O)NC)Cl)C(=O)Nc3cncc4c3ccc(c4)S(=O )(=O)C; CNC(=O)CN1[CH](C)[CH](C(=O)Nc2cn cc3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1= O |
(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 40173 |  RW1 CHEMBL1235765 ZINC000000331735 |
12 | C10 H8 N2 | InChI=1S/C10H8N2/c1-2-4-9 (5-3-1)10-6-7-11-8-12-10/ h1-8H; MKLQPIYLZMLAER-UHFFFAOYSA-N |
c1ccc(cc1)c2ccncn2; n1ccc(nc1)c2ccccc2 | 4-phenylpyrimidine; 6-phenylpyrimidine |
| 40174 |  RW2 ZINC000220951490 |
24 | C15 H19 N2 O9 P | InChI=1S/C15H19N2O9P/c1-7 -13(18)11(9(4-16-7)6-26-2 7(23,24)25)5-17-12-3-8(14 (19)20)2-10(12)15(21)22/h 4,8,17-18H,2-3,5-6H2,1H3, (H,19,20)(H,21,22)(H2,23, 24,25)/t8-/m0/s1; VNQKGJPXVHNUEY-QMMMGPOBSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(CC(C2)C( =O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O) CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O; Cc1nc c(CO[P](O)(O)=O)c(CNC2=C(C[CH](C2)C(O)=O )C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CNC2 =C(C[C@@H](C2)C(O)=O)C(O)=O)c1O; O=C(O)C 2=C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C(=O) O)C2 |
(1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid |
| 40175 |  RW3 CHEMBL1213117 ZINC000051768790 |
1 | C29 H28 N10 O S | InChI=1S/C29H28N10OS/c1-1 7(40)33-29-35-22-8-7-19(1 4-23(22)41-29)25-24-26(30 )31-16-32-28(24)39(36-25) 15-20-13-18-5-3-4-6-21(18 )34-27(20)38-11-9-37(2)10 -12-38/h3-8,13-14,16H,9-1 2,15H2,1-2H3,(H2,30,31,32 )(H,33,35,40); PROYLAOFEKHQGS-UHFFFAOYSA-N |
CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc 5cc6ccccc6nc5N7CCN(CC7)C)N; O=C(Nc1nc2cc c(cc2s1)c4nn(c3ncnc(N)c34)Cc6cc7ccccc7nc 6N5CCN(C)CC5)C; CN1CCN(CC1)c2nc3ccccc3cc 2Cn4nc(c5ccc6nc(NC(C)=O)sc6c5)c7c(N)ncnc 47 |
N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide |
| 40176 |  RW4 CHEMBL1213118 ZINC000058548488 |
1 | C27 H26 N10 S | InChI=1S/C27H26N10S/c1-35 -8-10-36(11-9-35)25-18(12 -16-4-2-3-5-19(16)32-25)1 4-37-26-22(24(28)30-15-31 -26)23(34-37)17-6-7-20-21 (13-17)38-27(29)33-20/h2- 7,12-13,15H,8-11,14H2,1H3 ,(H2,29,33)(H2,28,30,31); UNSGOTITAWKECZ-UHFFFAOYSA-N |
CN1CCN(CC1)c2nc3ccccc3cc2Cn4nc(c5ccc6nc( N)sc6c5)c7c(N)ncnc47; CN1CCN(CC1)c2c(cc3 ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N) c(ncn5)N; n1c2ccc(cc2sc1N)c4nn(c3ncnc(N) c34)Cc6cc7ccccc7nc6N5CCN(C)CC5 |
3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| 40177 |  RW5 |
1 | C18 H20 N4 O2 | InChI=1S/C18H20N4O2/c1-11 -6-8-22(14(9-11)15-4-3-12 (2)24-15)18(23)16-13-5-7- 19-17(13)21-10-20-16/h3-5 ,7,10-11,14H,6,8-9H2,1-2H 3,(H,19,20,21)/t11-,14-/m 0/s1; ZHFXJVHZUDTZGC-FZMZJTMJSA-N |
C[C@H]1CCN([C@@H](C1)c2oc(C)cc2)C(=O)c3n cnc4[nH]ccc34; CC1CCN(C(C1)c1ccc(C)o1)C( =O)c1ncnc2[NH]ccc21; Cc1ccc(o1)[C@@H]2C[ C@H](CCN2C(=O)c3c4cc[nH]c4ncn3)C; Cc1ccc (o1)C2CC(CCN2C(=O)c3c4cc[nH]c4ncn3)C; C[ CH]1CCN([CH](C1)c2oc(C)cc2)C(=O)c3ncnc4[ nH]ccc34 |
[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone |
| 40178 |  RW6 ZINC000022277662 |
4 | C18 H19 N3 O3 S | InChI=1S/C18H19N3O3S/c1-2 3-14-7-12-13(8-15(14)24-2 )19-17(20-18(12)22)10-21- 5-3-16-11(9-21)4-6-25-16/ h4,6-8H,3,5,9-10H2,1-2H3, (H,19,20,22); OKUZLQSVACVDFQ-UHFFFAOYSA-N |
COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC; COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4) C3 |
2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one |
| 40179 |  RW7 |
1 | C14 H18 N2 O2 | InChI=1S/C14H18N2O2/c1-4- 9-14(2)13(18)15-11-8-6-5- 7-10(11)12(17)16(14)3/h5- 8H,4,9H2,1-3H3,(H,15,18)/ t14-/m0/s1; CNQOZARVGPMUHF-AWEZNQCLSA-N |
CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O; N2c1cc ccc1C(=O)N(C)C(C)(CCC)C2=O; CCC[C@]1(C(= O)Nc2ccccc2C(=O)N1C)C; CCCC1(C(=O)Nc2ccc cc2C(=O)N1C)C; CCC[C@]1(C)N(C)C(=O)c2ccc cc2NC1=O |
(3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione |
| 40180 |  RW8 CHEMBL5084693 ZINC000000027609 |
1 | C13 H15 N O3 | InChI=1S/C13H15NO3/c1-17- 13(16)7-6-12(15)14-9-8-10 -4-2-3-5-11(10)14/h2-5H,6 -9H2,1H3; AYMVNVWATJUROX-UHFFFAOYSA-N |
COC(=O)CCC(=O)N1CCc2c1cccc2; COC(=O)CCC( =O)N1CCc2ccccc12 |
methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate |
| 40181 |  RW9 |
2 | C24 H21 Cl N4 O3 | InChI=1S/C24H21ClN4O3/c1- 26-21(30)13-28-14-24(19-1 0-16(25)6-7-18(19)22(28)3 1)8-9-29(23(24)32)20-12-2 7-11-15-4-2-3-5-17(15)20/ h2-7,10-12H,8-9,13-14H2,1 H3,(H,26,30)/t24-/m1/s1; ZIZXURDLSUGNHT-XMMPIXPASA-N |
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4ccccc34 )c5cc(Cl)ccc5C1=O; CNC(=O)CN1CC2(CCN(C2= O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl; CNC(= O)CN1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl )ccc2C1=O; CNC(=O)CN1C[C]2(CCN(C2=O)c3cn cc4ccccc34)c5cc(Cl)ccc5C1=O; CNC(=O)CN1C [C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C 1=O)Cl |
2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
| 40182 |  RWA |
2 | C16 H18 N4 O2 | InChI=1S/C16H18N4O2/c1-15 (2)13(21)16(3,17-14(15)22 )9-11-10-20(19-18-11)12-7 -5-4-6-8-12/h4-8,10H,9H2, 1-3H3,(H,17,22)/t16-/m1/s 1; ZHXFDNRJCWLCGX-MRXNPFEDSA-N |
n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C) n3; C[C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C(C) (C)C1=O; C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O) C(C)(C)C1=O; CC1(C(=O)C(NC1=O)(C)Cc2cn(n n2)c3ccccc3)C; C[C@]1(C(=O)C(C(=O)N1)(C) C)Cc2cn(nn2)c3ccccc3 |
(5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione |
| 40183 |  RWB ZINC000072099668 |
7 | C25 H52 O13 | InChI=1S/C25H52O13/c1-27- 4-5-29-8-9-31-12-13-33-16 -17-35-20-21-37-24-25-38- 23-22-36-19-18-34-15-14-3 2-11-10-30-7-6-28-3-2-26/ h26H,2-25H2,1H3; PLQZJIIDLZRWBG-UHFFFAOYSA-N |
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | dodecaethylene glycol monomethyl ether; PEG-MME fragment n=12; polyethylene glycol monomethyl ether fragment n=12; PEG 550 MME |
| 40184 |  RWC |
1 | C21 H21 N3 O4 | InChI=1S/C21H21N3O4/c25-1 9(13-5-7-16(8-6-13)22-21( 28)23-17-9-10-17)24-12-15 (20(26)27)11-14-3-1-2-4-1 8(14)24/h1-8,15,17H,9-12H 2,(H,26,27)(H2,22,23,28)/ t15-/m0/s1; AOHBVEDXTIZALI-HNNXBMFYSA-N |
OC(=O)[CH]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc 2)c4ccccc4C1; OC(=O)[C@@H]1CN(C(=O)c2ccc (NC(=O)NC3CC3)cc2)c4ccccc4C1; c1ccc2c(c1 )CC(CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O) O; O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2cc ccc21)C(=O)O; c1ccc2c(c1)C[C@@H](CN2C(=O )c3ccc(cc3)NC(=O)NC4CC4)C(=O)O |
(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid |
| 40185 |  RWD |
1 | C14 H16 N4 O2 | InChI=1S/C14H16N4O2/c1-14 (12(19)7-13(20)15-14)8-10 -9-18(17-16-10)11-5-3-2-4 -6-11/h2-6,9,12,19H,7-8H2 ,1H3,(H,15,20)/t12-,14+/m 0/s1; UILOQPSPJQYNHO-GXTWGEPZSA-N |
C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3cccc c3; n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3; CC1(C(CC(=O)N1)O)Cc2cn(nn2)c3ccccc3; C[ C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[CH]1O; C[ C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[C@@H]1O |
(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one |
| 40186 |  RWE CHEMBL5565299 |
4 | C23 H28 N6 O | InChI=1S/C23H28N6O/c1-4-1 9(13-30)26-23-27-21(20-22 (28-23)29(14-25-20)15(2)3 )24-12-16-9-10-17-7-5-6-8 -18(17)11-16/h5-11,14-15, 19,30H,4,12-13H2,1-3H3,(H 2,24,26,27,28)/t19-/m1/s1; WKFFSBIHJSFZMR-LJQANCHMSA-N |
CC[C@H](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn( C(C)C)c4n1; CCC(CO)Nc1nc(c2c(n1)n(cn2)C( C)C)NCc3ccc4ccccc4c3; CC[C@H](CO)Nc1nc(c 2c(n1)n(cn2)C(C)C)NCc3ccc4ccccc4c3; CC[C H](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C )c4n1 |
(2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| 40187 |  RWF CHEMBL251073 DB08496 ZINC000084589076 |
5 | C19 H16 O4 | InChI=1S/C19H16O4/c1-12(2 0)11-15(13-7-3-2-4-8-13)1 7-18(21)14-9-5-6-10-16(14 )23-19(17)22/h2-10,15,21H ,11H2,1H3/t15-/m1/s1; PJVWKTKQMONHTI-OAHLLOKOSA-N |
CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O )O; CC(=O)C[C@H](c1ccccc1)C2=C(O)c3ccccc 3OC2=O; CC(=O)C[CH](c1ccccc1)C2=C(O)c3cc ccc3OC2=O; CC(=O)CC(c1ccccc1)C2=C(c3cccc c3OC2=O)O; O=C(C)CC(C1=C(O)c2c(OC1=O)ccc c2)c3ccccc3 |
R-WARFARIN |
| 40188 |  RWG |
2 | C14 H13 F N4 O2 | InChI=1S/C14H13FN4O2/c1-1 4(12(20)6-13(21)16-14)7-1 0-8-19(18-17-10)11-4-2-9( 15)3-5-11/h2-5,8H,6-7H2,1 H3,(H,16,21)/t14-/m1/s1; UUBOMXRWPFJYHC-CQSZACIVSA-N |
C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3 )F; C[C@]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)C C1=O; C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O) CC1=O; n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)C C3=O; CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc( cc3)F |
(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione |
| 40189 |  RWH CHEMBL5086638 |
1 | C16 H19 N3 O3 S | InChI=1S/C16H19N3O3S/c1-1 9(11-10-13-6-3-2-4-7-13)1 6(20)18-14-8-5-9-15(12-14 )23(17,21)22/h2-9,12H,10- 11H2,1H3,(H,18,20)(H2,17, 21,22); ODXMSWVMIFFZON-UHFFFAOYSA-N |
CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O) =O; CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)( =O)N |
3-(3-methyl-3-phenethylureido)benzenesulfonamide; 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea |
| 40190 |  RWI |
1 | C11 H18 N2 O11 | InChI=1S/C11H18N2O11/c14- 2-4-7(17)8(18)6(12-11(21) 13-22)10(24-4)23-3(9(19)2 0)1-5(15)16/h3-4,6-8,10,1 4,17-18,22H,1-2H2,(H,15,1 6)(H,19,20)(H2,12,13,21)/ t3-,4+,6+,7+,8+,10-/m0/s1; QOPUTRBEPJZLTE-NKQVSKEESA-N |
OC[C@H]1O[C@H](O[C@@H](CC(O)=O)C(O)=O)[C @H](NC(=O)NO)[C@@H](O)[C@@H]1O; O=C(NC1C (O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO; C([ C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H ](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O; OC[CH]1 O[CH](O[CH](CC(O)=O)C(O)=O)[CH](NC(=O)NO )[CH](O)[CH]1O; C(C1C(C(C(C(O1)OC(CC(=O) O)C(=O)O)NC(=O)NO)O)O)O |
(2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid; (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid; (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-D-glucosyl}oxy)butanedioic acid; (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-glucosyl}oxy)butanedioic acid |
| 40191 |  RWJ CHEMBL164138 DB03251 ZINC000012503351 |
1 | C19 H25 N5 O2 S | InChI=1S/C19H25N5O2S/c20- 19(21)22-11-5-9-14(23-17( 26)12-6-1-2-7-12)16(25)18 -24-13-8-3-4-10-15(13)27- 18/h3-4,8,10,12,14H,1-2,5 -7,9,11H2,(H,23,26)(H4,20 ,21,22)/t14-/m0/s1; NQABUEUFRXDDFI-AWEZNQCLSA-N |
NC(=N)NCCC[CH](NC(=O)C1CCCC1)C(=O)c2sc3c cccc3n2; c1ccc2c(c1)nc(s2)C(=O)C(CCCNC(= N)N)NC(=O)C3CCCC3; c1ccc2c(c1)nc(s2)C(=O )[C@H](CCCNC(=N)N)NC(=O)C3CCCC3; NC(=N)N CCC[C@H](NC(=O)C1CCCC1)C(=O)c2sc3ccccc3n 2; O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H ])N)C3CCCC3 |
CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE; RWJ-51084 |
| 40192 |  RWL |
1 | C9 H8 Cl N7 S | InChI=1S/C9H8ClN7S/c10-8- 14-4(2-18-8)1-17-3-13-5-6 (11)15-9(12)16-7(5)17/h2- 3H,1H2,(H4,11,12,15,16); QGSVLNUQBAPFJD-UHFFFAOYSA-N |
c1c(nc(s1)Cl)Cn2cnc3c2nc(nc3N)N; Nc1nc(N )c2ncn(Cc3csc(Cl)n3)c2n1; Clc1nc(Cn2cnc3 c(N)nc(N)nc23)cs1 |
9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine |
| 40193 |  RWM |
1 | C15 H14 N2 O3 | InChI=1S/C15H14N2O3/c1-15 (13(18)8-14(19)16-15)9-11 -7-12(17-20-11)10-5-3-2-4 -6-10/h2-7H,8-9H2,1H3,(H, 16,19)/t15-/m0/s1; QYMOUPYIBHTJEC-HNNXBMFYSA-N |
n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3; C[ C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O; C[C@ @]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3; CC 1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3; C[C@ @]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O |
(5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione |
| 40194 |  RWN CHEMBL5568619 |
6 | C22 H32 N6 O | InChI=1S/C22H32N6O/c1-5-1 8(13-29)25-22-26-20(19-21 (27-22)28(14-24-19)15(2)3 )23-11-7-10-17-9-6-8-16(4 )12-17/h6,8-9,12,14-15,18 ,29H,5,7,10-11,13H2,1-4H3 ,(H2,23,25,26,27)/t18-/m1 /s1; IAQVCGQJJMTIMM-GOSISDBHSA-N |
CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3cc cc(c3)C; CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C (C)C)NCCCc3cccc(c3)C; CC[C@H](CO)Nc1nc(N CCCc2cccc(C)c2)c3ncn(C(C)C)c3n1; CC[CH]( CO)Nc1nc(NCCCc2cccc(C)c2)c3ncn(C(C)C)c3n 1 |
(2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol |
| 40195 |  RWO |
2 | C19 H20 Cl N3 O3 S | InChI=1S/C19H20ClN3O3S/c1 -19(11-22-27(25,26)17-7-6 -13(20)8-15(17)19)18(24)2 3-16-10-21-9-12-4-2-3-5-1 4(12)16/h6-10,22H,2-5,11H 2,1H3,(H,23,24)/t19-/m0/s 1; OLOUVJHSJAVGMH-IBGZPJMESA-N |
C[C@@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O) Nc3cncc4CCCCc34; C[C@@]1(CNS(=O)(=O)c2c1 cc(cc2)Cl)C(=O)Nc3cncc4c3CCCC4; C[C]1(CN [S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CC CCc34; CC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O )Nc3cncc4c3CCCC4; Clc1ccc2c(c1)C(C)(CNS2 (=O)=O)C(=O)Nc1cncc2CCCCc21 |
(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
| 40196 |  RWP ZINC000000283931 |
3 | C10 H8 F3 N O3 | InChI=1S/C10H8F3NO3/c1-17 -8(15)6-2-4-7(5-3-6)14-9( 16)10(11,12)13/h2-5H,1H3, (H,14,16); MDDVOSSRTNAXHJ-UHFFFAOYSA-N |
COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F; c1cc(cc c1NC(=O)C(F)(F)F)C(=O)OC; COC(=O)c1ccc(N C(=O)C(F)(F)F)cc1 |
methyl 4-[(trifluoroacetyl)amino]benzoate |
| 40197 |  RWQ |
1 | C16 H17 F N4 O | InChI=1S/C16H17FN4O/c17-1 1-3-4-12-13(6-11)20-15-14 (12)16(19-9-18-15)21-5-1- 2-10(7-21)8-22/h3-4,6,9-1 0,22H,1-2,5,7-8H2,(H,18,1 9,20)/t10-/m1/s1; LEHSMGCFXRLFLE-SNVBAGLBSA-N |
Fc1ccc2c3c(ncnc3[NH]c2c1)N1CCCC(CO)C1; c 1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)CO; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC[C@H](C4 )CO; OC[C@@H]1CCCN(C1)c2ncnc3[nH]c4cc(F) ccc4c23; OC[CH]1CCCN(C1)c2ncnc3[nH]c4cc( F)ccc4c23 |
[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol |
| 40198 |  RWR |
7 | C25 H30 O4 | InChI=1S/C25H30O4/c1-15-7 -11-19(16-8-9-16)22(21(15 )23(24(26)27)29-25(2,3)4) 18-10-12-20-17(14-18)6-5- 13-28-20/h7,10-12,14,16,2 3H,5-6,8-9,13H2,1-4H3,(H, 26,27)/t23-/m0/s1; UDFCYQOJPMKLMT-QHCPKHFHSA-N |
Cc1ccc(c(c1[C@@H](C(=O)O)OC(C)(C)C)c2ccc 3c(c2)CCCO3)C4CC4; Cc1ccc(c(c1C(C(=O)O)O C(C)(C)C)c2ccc3c(c2)CCCO3)C4CC4; Cc1ccc( C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C) C(O)=O; Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1 [C@H](OC(C)(C)C)C(O)=O |
(2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
| 40199 |  RWS ZINC000084291760 |
7 | C8 H13 N3 S | InChI=1S/C8H13N3S/c1-7-9- 10-8(12-7)11-5-3-2-4-6-11 /h2-6H2,1H3; IIDJDXATFNHHGO-UHFFFAOYSA-N |
Cc1nnc(s1)N2CCCCC2; Cc1sc(nn1)N2CCCCC2; n1nc(C)sc1N2CCCCC2 |
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine |
| 40200 |  RWT |
2 | C19 H20 Cl N3 O3 S | InChI=1S/C19H20ClN3O3S/c1 -19(11-22-27(25,26)17-7-6 -13(20)8-15(17)19)18(24)2 3-16-10-21-9-12-4-2-3-5-1 4(12)16/h6-10,22H,2-5,11H 2,1H3,(H,23,24)/t19-/m1/s 1; OLOUVJHSJAVGMH-LJQANCHMSA-N |
C[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc 3cncc4CCCCc34; CC1(CNS(=O)(=O)c2c1cc(cc2 )Cl)C(=O)Nc3cncc4c3CCCC4; C[C@]1(CN[S](= O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CCCCc34 ; Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1c ncc2CCCCc21; C[C@]1(CNS(=O)(=O)c2c1cc(cc 2)Cl)C(=O)Nc3cncc4c3CCCC4 |
(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |