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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 39601 | RFC ZINC000263620817 |
8 | C34 H53 N7 O17 P3 S | InChI=1S/C34H52N7O17P3S/c 1-19(2)14-21-6-8-22(9-7-2 1)20(3)33(46)62-13-12-36- 24(42)10-11-37-31(45)28(4 4)34(4,5)16-55-61(52,53)5 8-60(50,51)54-15-23-27(57 -59(47,48)49)26(43)32(56- 23)41-18-40-25-29(35)38-1 7-39-30(25)41/h6-9,17-20, 23,26-28,32,43-44H,10-16H 2,1-5H3,(H8,35,36,37,38,3 9,42,45,47,48,49,50,51,52 ,53)/p+1/t20-,23-,26-,27- ,28+,32-/m1/s1; NXIKDQUQQHUCJH-NGSKWOHTSA-O |
CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)C CNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@ ](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[ n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O; CC(C )Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC( =O)[C@H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)( =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O[P](O) (O)=O)[n+]3c[nH]c4c(N)ncnc34; CC(C)Cc1cc c(cc1)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH]( O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O [CH]([CH](O)[CH]2O[P](O)(O)=O)[n+]3c[nH] c4c(N)ncnc34; O=C(SCCNC(=O)CCNC(=O)C(O)C (C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc 1c2ncnc1N)C(O)C3OP(=O)(O)O)C(c4ccc(cc4)C C(C)C)C; CC(C)Cc1ccc(cc1)C(C)C(=O)SCCNC( =O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O CC2C(C(C(O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O )(O)O)O |
(R)-IBUPROFENOYL-COENZYME A; [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(R)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3- YL]OXYPHOSPHONIC ACID |
| 39602 | RFE CHEMBL4786103 |
3 | C14 H23 N6 O5 P S | InChI=1S/C14H23N6O5PS/c1- 9(5-20-7-18-11-12(15)16-6 -17-13(11)20)25-8-26(23,2 4)19-10(14(21)22)3-4-27-2 /h6-7,9-10H,3-5,8H2,1-2H3 ,(H,21,22)(H2,15,16,17)(H 2,19,23,24)/t9-,10+/m1/s1; PEQPYHOXTFLJCT-ZJUUUORDSA-N |
CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N) ncnc12)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N)OC P(=O)(N[C@@H](CCSC)C(=O)O)O; CSCC[C@H](N [P](O)(=O)CO[C@H](C)Cn1cnc2c(N)ncnc12)C( O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CCSC )C(=O)O)O |
L-Methionine Tenofovir; (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid |
| 39603 | RFF | 2 | C22 H21 Cl N6 O3 S | InChI=1S/C22H21ClN6O3S/c1 -28-20-15(8-26-28)7-25-9- 19(20)27-21(30)18-11-29(1 0-14-2-3-16(23)6-17(14)18 )33(31,32)13-22(12-24)4-5 -22/h2-3,6-9,18H,4-5,10-1 1,13H2,1H3,(H,27,30)/t18- /m1/s1; ZFCGSGJZJHDJGS-GOSISDBHSA-N |
Cn1ncc2cncc(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc 34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1c2c(cn cc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC 5(CC5)C#N)cn1; Cn1c2c(cncc2NC(=O)[C@@H]3 CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c n1; Cn1ncc2cncc(NC(=O)[CH]3CN(Cc4ccc(Cl) cc34)[S](=O)(=O)CC5(CC5)C#N)c12; Cn1ncc2 cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O) CC3(C#N)CC3)c12 |
(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39604 | RFG CHEMBL4632672 |
4 | C19 H19 N9 O2 | InChI=1S/C19H19N9O2/c1-12 (2)27-11-22-25-17(27)14-5 -4-6-15(23-14)24-18(29)13 -10-28(26-19(13)30-3)16-9 -20-7-8-21-16/h4-12H,1-3H 3,(H,23,24,29); FTPVMITWJIXRGQ-UHFFFAOYSA-N |
CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c 4cnccn4; C(Nc2nc(c1nncn1C(C)C)ccc2)(c3cn (nc3OC)c4cnccn4)=O; COc1nn(cc1C(=O)Nc2cc cc(n2)c3nncn3C(C)C)c4cnccn4 |
3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide |
| 39605 | RFH | 1 | C43 H58 N4 O13 | InChI=1S/C43H58N4O13/c1-2 1(12-11-13-22(2)42(44)56) 33(49)24(4)34(50)25(5)39( 59-27(7)48)23(3)29(57-10) 14-19-58-43(8)41(55)32-30 -31(35(51)26(6)40(32)60-4 3)38(54)37(53)28(36(30)52 )20-45-47-17-15-46(9)16-1 8-47/h11-14,19-21,23-25,2 9,33-34,39,49-51,53H,15-1 8H2,1-10H3,(H2,44,56)/b12 -11+,19-14+,22-13+,45-20+ /t21-,23+,24+,25+,29-,33- ,34+,39+,43-/m0/s1; ABIUUBSHMGGSQA-ONSLPDPNSA-N |
Cc1c(c2c(c3c1OC(C3=O)(C)OC=CC(C(C)C(C(C) C(C(C)C(C(C)C=CC=C(C)C(=O)N)O)O)OC(=O)C) OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O; CO [CH](C=CO[C]1(C)Oc2c(C)c(O)c3C(=O)C(=C(C =NN4CCN(C)CC4)C(=O)c3c2C1=O)O)[CH](C)[CH ](OC(C)=O)[CH](C)[CH](O)[CH](C)[CH](O)[C H](C)C=CC=C(C)C(N)=O; O=C(N)C(=[C@H][C@H ]=[C@H]C(C)C(O)C(C)C(C(C)C(C(C)C(\C=C\OC 1(C(c2c(O1)c(c(c3c2C(=O)C(=C(O)C3=O)[C@H ]=NN4CCN(CC4)C)O)C)=O)C)OC)OC(=O)C)O)C; Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]( [C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C @H]([C@@H](C)/C=C/C=C(\C)/C(=O)N)O)O)OC( =O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C) O; CO[C@@H](\C=C\O[C@@]1(C)Oc2c(C)c(O)c3 C(=O)C(=C(/C=N/N4CCN(C)CC4)C(=O)c3c2C1=O )O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H] (O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C) /C(N)=O |
(1E,3S,4R,5S,6R,7R,8R,9S,10S,11E,13E)-15-amino-1-{[(2S)-5,7-dihydroxy-2,4-dimethyl-8-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-1,6,9-trioxo-1,2,6,9-tetrahydronaphtho[2,1-b]furan-2-yl]oxy}-7,9-dihydroxy-3-methoxy-4,6,8,10,14-pentamethyl-15-oxopentadeca-1,11,13-trien-5-yl acetate |
| 39606 | RFI | 1 | C17 H16 F N5 O2 | InChI=1S/C17H16FN5O2/c18- 10-1-2-12-13(7-10)21-15-1 4(12)16(20-9-19-15)22-4-3 -11(8-22)23-5-6-25-17(23) 24/h1-2,7,9,11H,3-6,8H2,( H,19,20,21)/t11-/m0/s1; JXLRADUCHRSAKP-NSHDSACASA-N |
Fc1ccc2c([nH]c3ncnc(N4CC[C@@H](C4)N5CCOC 5=O)c23)c1; Fc1ccc2c3c([NH]c2c1)ncnc3N1C CC(C1)N1CCOC1=O; c1cc2c(cc1F)[nH]c3c2c(n cn3)N4CCC(C4)N5CCOC5=O; c1cc2c(cc1F)[nH] c3c2c(ncn3)N4CC[C@@H](C4)N5CCOC5=O; Fc1c cc2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c2 3)c1 |
3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one |
| 39607 | RFJ | 0 | C11 H16 N5 O7 P S | InChI=1S/C11H16N5O7PS/c1- 21-7-6(17)4(2-22-24(19,20 )25)23-10(7)16-3-13-5-8(1 6)14-11(12)15-9(5)18/h3-4 ,6-7,10,17H,2H2,1H3,(H2,1 9,20,25)(H3,12,14,15,18)/ t4-,6-,7-,10-/m1/s1; QUDYZWLGVZGRFN-KQYNXXCUSA-N |
COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=S)(O )O)O; CO[CH]1[CH](O)[CH](CO[P](O)(O)=S)O [CH]1n2cnc3C(=O)NC(=Nc23)N; COC3C(n2c1N= C(N)NC(c1nc2)=O)OC(C3O)COP(O)(O)=S; CO[C @@H]1[C@H](O)[C@@H](CO[P](O)(O)=S)O[C@H] 1n2cnc3C(=O)NC(=Nc23)N; CO[C@@H]1[C@@H]( [C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=S) (O)O)O |
2'-O-methyl-5'-O-thiophosphonoguanosine |
| 39608 | RFL DB03482 ZINC000098209358 |
1 | C28 H36 N10 O15 P2 | InChI=1S/C28H36N10O15P2/c 1-11-4-12-14(5-13(11)36(2 )3)37(25-19(33-12)26(44)3 5-28(45)34-25)6-15(39)20( 41)16(40)7-50-54(46,47)53 -55(48,49)51-8-17-21(42)2 2(43)27(52-17)38-10-32-18 -23(29)30-9-31-24(18)38/h 4-5,9-10,15-17,20-22,27,3 9-43H,6-8H2,1-3H3,(H,46,4 7)(H,48,49)(H2,29,30,31)( H,35,44,45)/t15-,16+,17+, 20-,21+,22+,27+/m0/s1; UXOZEHHQWXVTPI-MZWSMYJRSA-N |
Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2) C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@ ](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n 5cnc6c5ncnc6N)O)O)O)O)O; CN(C)c1cc2N(C[C H](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(= O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n cnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C; Cc1cc2c (cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C( COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5 ncnc6N)O)O)O)O)O; CN(C)c1cc2N(C[C@H](O)[ C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)(=O )OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c (N)ncnc45)C6=NC(=O)NC(=O)C6=Nc2cc1C; O=C 2C3=Nc1cc(c(N(C)C)cc1N(C3=NC(=O)N2)CC(O) C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4 c(ncnc45)N)C(O)C6O)C |
8-DEMETHYL-8-DIMETHYLAMINO-FLAVIN-ADENINE-DINUCLEOTIDE |
| 39609 | RFM CHEMBL2442060 |
2 | C26 H21 N5 O2 S | InChI=1S/C26H21N5O2S/c32- 25(17-31-24-9-5-4-8-23(24 )28-29-31)30(16-19-14-15- 34-18-19)22-12-10-21(11-1 3-22)27-26(33)20-6-2-1-3- 7-20/h1-15,18H,16-17H2,(H ,27,33); WHSQOXMSNUWORU-UHFFFAOYSA-N |
c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(= O)Cn4c5ccccc5nn4; O=C(Cn1nnc2ccccc12)N(C c3cscc3)c4ccc(NC(=O)c5ccccc5)cc4; O=C(N( Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c (cccc4)nn5 |
N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide |
| 39610 | RFN CHEMBL2023131 ZINC000084618991 |
1 | C17 H20 N2 O5 S | InChI=1S/C17H20N2O5S/c1-1 7(16(21)18-22,25(2,23)24) 9-11-19-10-8-14(12-15(19) 20)13-6-4-3-5-7-13/h3-8,1 0,12,22H,9,11H2,1-2H3,(H, 18,21)/t17-/m1/s1; NFQOWMXNJNMRTA-QGZVFWFLSA-N |
O=S(=O)(C(C(=O)NO)(CCN1C=CC(=CC1=O)c2ccc cc2)C)C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2 )(C(=O)NO)S(=O)(=O)C; C[C](CCN1C=CC(=CC1 =O)c2ccccc2)(C(=O)NO)[S](C)(=O)=O; CC(CC N1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O )C; C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(= O)NO)[S](C)(=O)=O |
(2R)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(2-oxo-4-phenylpyridin-1(2H)-yl)butanamide |
| 39611 | RFO | 1 | C11 H10 Cl N O2 | InChI=1S/C11H10ClNO2/c1-1 5-7-11(14)13-6-5-8-9(12)3 -2-4-10(8)13/h2-6H,7H2,1H 3; SLZGAMVJAWAHJX-UHFFFAOYSA-N |
COCC(=O)n1ccc2c(Cl)cccc12; COCC(=O)n1ccc 2c1cccc2Cl |
1-(4-chloranylindol-1-yl)-2-methoxy-ethanone |
| 39612 | RFP ZINC000169621223 |
29 | C43 H58 N4 O12 | InChI=1S/C43H58N4O12/c1-2 1-12-11-13-22(2)42(55)45- 33-28(20-44-47-17-15-46(9 )16-18-47)37(52)30-31(38( 33)53)36(51)26(6)40-32(30 )41(54)43(8,59-40)57-19-1 4-29(56-10)23(3)39(58-27( 7)48)25(5)35(50)24(4)34(2 1)49/h11-14,19-21,23-25,2 9,34-35,39,49-53H,15-18H2 ,1-10H3,(H,45,55)/b12-11+ ,19-14+,22-13-,44-20+/t21 -,23+,24+,25+,29-,34-,35+ ,39+,43-/m0/s1; JQXXHWHPUNPDRT-WLSIYKJHSA-N |
Cc1c(c2c3c4c1O[C@@](C4=O)(O\C=C\[C@@H]([ C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C @H](C=C\C=C(/C(=O)Nc(c2O)c(c3O)\C=N\N5CC N(CC5)C)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O; O =C4c5c2c(O)c(\C=N\N1CCN(C)CC1)c3c(O)c2c( O)c(c5OC4(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C (C)C(O)C(C=CC=C(C(=O)N3)C)C)C)C)C; CO[CH ]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C( =CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C) [CH](OC(C)=O)[CH]1C)C)c(C=NN5CCN(C)CC5)c (O)c4c3C2=O; CO[C@H]1\C=C\O[C@@]2(C)Oc3c (C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[ C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H]( OC(C)=O)[C@@H]1C)C)c(\C=N\N5CCN(C)CC5)c( O)c4c3C2=O; Cc1c(c2c3c4c1OC(C4=O)(OC=CC( C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C =NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C )O |
RIFAMPICIN |
| 39613 | RFQ ZINC000103253473 |
3 | C24 H22 N4 O2 S2 | InChI=1S/C24H22N4O2S2/c25 -23(21-9-3-11-31-21)27-17 -6-1-5-16(13-17)20(29)15- 30-19-8-2-7-18(14-19)28-2 4(26)22-10-4-12-32-22/h1- 14,20,29H,15H2,(H2,25,27) (H2,26,28)/t20-/m1/s1; ZCTCFQXRJWOQIL-HXUWFJFHSA-N |
O[CH](COc1cccc(NC(=N)c2sccc2)c1)c3cccc(N C(=N)c4sccc4)c3; N(c3cc(OCC(O)c2cccc(NC( =[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4; [H]/N=C(/c1cccs1)\Nc2cccc(c2)[C@@H](COc 3cccc(c3)N/C(=N\[H])/c4cccs4)O; c1cc(cc( c1)NC(=N)c2cccs2)C(COc3cccc(c3)NC(=N)c4c ccs4)O; O[C@H](COc1cccc(NC(=N)c2sccc2)c1 )c3cccc(NC(=N)c4sccc4)c3 |
N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide |
| 39614 | RFR | 1 | C23 H24 Cl N5 O4 S | InChI=1S/C23H24ClN5O4S/c1 -25-22(30)13-29-11-15-3-5 -16(24)7-18(15)20(12-29)2 3(31)27-21-10-26-9-14-4-6 -17(8-19(14)21)28-34(2,32 )33/h3-10,20,28H,11-13H2, 1-2H3,(H,25,30)(H,27,31)/ t20-/m1/s1; BDCZHNBCXCBWRA-HXUWFJFHSA-N |
CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(Cc 2ccc(Cl)cc21)CC(=O)NC; CNC(=O)CN1Cc2ccc( cc2C(C1)C(=O)Nc3cncc4c3cc(cc4)NS(=O)(=O) C)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N [S](C)(=O)=O)cc23)c4cc(Cl)ccc4C1; CNC(=O )CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3c c(cc4)NS(=O)(=O)C)Cl; CNC(=O)CN1C[C@@H]( C(=O)Nc2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc (Cl)ccc4C1 |
(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39615 | RFS CHEMBL4848081 |
2 | C19 H20 Br N O3 | InChI=1S/C19H20BrNO3/c20- 15-3-1-13(2-4-15)17-7-8-2 1-10-14(17)11-22-16-5-6-1 8-19(9-16)24-12-23-18/h1- 6,9,14,17,21H,7-8,10-12H2 /t14-,17-/m0/s1; SESIBYYWBYIMLH-YOEHRIQHSA-N |
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)O CO4)Br; c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3 )cc4)Br; Brc1ccc(cc1)[CH]2CCNC[CH]2COc3c cc4OCOc4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c 3)OCO4)Br; Brc1ccc(cc1)[C@@H]2CCNC[C@H]2 COc3ccc4OCOc4c3 |
Br-paroxetine; (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-bromophenyl)piperidine |
| 39616 | RFT | 0 | C15 H24 N2 O3 S3 | InChI=1S/C15H24N2O3S3/c1- 4-5-10-22-14(21)23-15(2,3 )13(20)16-8-9-17-11(18)6- 7-12(17)19/h4-10H2,1-3H3, (H,16,20); RVSHKKVKYZTEOC-UHFFFAOYSA-N |
CCCCSC(=S)SC(C)(C)C(=O)NCCN1C(=O)CCC1=O; C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O) =O |
butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate |
| 39617 | RFU | 1 | C17 H16 F N5 O2 | InChI=1S/C17H16FN5O2/c18- 10-1-2-12-13(7-10)21-15-1 4(12)16(20-9-19-15)22-4-3 -11(8-22)23-5-6-25-17(23) 24/h1-2,7,9,11H,3-6,8H2,( H,19,20,21)/t11-/m1/s1; JXLRADUCHRSAKP-LLVKDONJSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CC[C@H](C4) N5CCOC5=O; Fc1ccc2c([nH]c3ncnc(N4CC[C@H] (C4)N5CCOC5=O)c23)c1; Fc1ccc2c3c([NH]c2c 1)ncnc3N1CCC(C1)N1CCOC1=O; c1cc2c(cc1F)[ nH]c3c2c(ncn3)N4CCC(C4)N5CCOC5=O; Fc1ccc 2c([nH]c3ncnc(N4CC[CH](C4)N5CCOC5=O)c23) c1 |
3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one |
| 39618 | RFV | 2 | C37 H49 N O12 | InChI=1S/C37H49NO12/c1-16 -11-10-12-17(2)36(46)38-2 3-15-24(40)26-27(32(23)44 )31(43)21(6)34-28(26)35(4 5)37(8,50-34)48-14-13-25( 47-9)18(3)33(49-22(7)39)2 0(5)30(42)19(4)29(16)41/h 10-16,18-20,25,29-30,33,3 5,40-45H,1-9H3,(H,38,46)/ b11-10+,14-13+,17-12-/t16 -,18+,19+,20+,25-,29-,30+ ,33+,35+,37-/m0/s1; OUOULRWGQDSKTQ-ZVFQNIRDSA-N |
Cc1c(c2c3c(cc(c2O)NC(=O)C(=CC=CC(C(C(C(C (C(C(C(C=COC4(C(c3c1O4)O)C)OC)C)OC(=O)C) C)O)C)O)C)C)O)O; Cc1c(c2c3c(cc(c2O)NC(=O )C(=C/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@H ]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4([C@@H ](c3c1O4)O)C)OC)C)OC(=O)C)C)O)C)O)C)C)O) O; CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4c(O)c( NC(=O)C(=CC=C[CH](C)[CH](O)[CH](C)[CH](O )[CH](C)[CH](OC(C)=O)[CH]1C)C)cc(O)c4c3[ CH]2O; CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O )c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O )[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)= O)[C@@H]1C)C)cc(O)c4c3[C@H]2O; O=C(OC4C( C)C(OC)C=COC3(Oc2c(c(O)c1c(O)c(cc(O)c1c2 C3O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C4C)C)C )C)C |
rifamycin SV |
| 39619 | RFW | 8 | C8 H14 N O9 P | InChI=1S/C8H16NO9P/c1-4(1 1)9-5(2-10)7(13)8(14)6(12 )3-18-19(15,16)17/h2,5-8, 12-14H,3H2,1H3,(H,9,11)(H 2,15,16,17)/p-2/t5-,6+,7+ ,8+/m0/s1; QDSLHWJDSQGPEE-LXGUWJNJSA-L |
CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[ P]([O-])([O-])=O; [O-]P([O-])(=O)OCC(O)C (O)C(O)C(C=O)NC(=O)C; CC(=O)NC(C=O)C(C(C (COP(=O)([O-])[O-])O)O)O; CC(=O)N[C@@H]( C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O- ])O)O)O; CC(=O)N[C@@H](C=O)[C@@H](O)[C@H ](O)[C@H](O)CO[P]([O-])([O-])=O |
N-acetyl-D-glucosamine-6-phosphate |
| 39620 | RFX CHEMBL153036 DB08472 ZINC000001530638 |
2 | C17 H18 F3 N O | InChI=1S/C17H18F3NO/c1-21 -12-11-16(13-5-3-2-4-6-13 )22-15-9-7-14(8-10-15)17( 18,19)20/h2-10,16,21H,11- 12H2,1H3/t16-/m1/s1; RTHCYVBBDHJXIQ-MRXNPFEDSA-N |
CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; C NCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2; CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F; CNCC [C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F; FC(F )(F)c2ccc(OC(c1ccccc1)CCNC)cc2 |
(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine; Fluoxetine |
| 39621 | RFY | 2 | C19 H20 I N O3 | InChI=1S/C19H20INO3/c20-1 5-3-1-13(2-4-15)17-7-8-21 -10-14(17)11-22-16-5-6-18 -19(9-16)24-12-23-18/h1-6 ,9,14,17,21H,7-8,10-12H2/ t14-,17-/m0/s1; QJFNUDYGOMCKMV-YOEHRIQHSA-N |
c4(ccc(C1CCNCC1COc2cc3c(cc2)OCO3)cc4)I; Ic1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc 4c3; c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4) I; Ic1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc 4c3; c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c (c3)OCO4)I |
I-paroxetine; (3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-(4-iodophenyl)piperidine |
| 39622 | RFZ CHEMBL375530 DB08473 ZINC000003873418 |
6 | C12 H12 Cl2 N2 O4 | InChI=1S/C12H12Cl2N2O4/c1 3-5-1-7-8(2-6(5)14)16(4-1 5-7)12-11(19)10(18)9(3-17 )20-12/h1-2,4,9-12,17-19H ,3H2/t9-,10-,11-,12-/m1/s 1; XHSQDZXAVJRBMX-DDHJBXDOSA-N |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc (Cl)c(Cl)cc23; c1c2c(cc(c1Cl)Cl)n(cn2)C3 C(C(C(O3)CO)O)O; c1c2c(cc(c1Cl)Cl)n(cn2) [C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O; OC[ CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl )cc23; Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)C O |
5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole |
| 39623 | RG0 CHEMBL5431852 |
1 | C11 H9 Cl F3 N O | InChI=1S/C11H9ClF3NO/c1-6 (17)16-5-4-7-9(16)3-2-8(1 2)10(7)11(13,14)15/h2-3H, 4-5H2,1H3; OCTQANMBVHBRLQ-UHFFFAOYSA-N |
CC(=O)N1CCc2c1ccc(Cl)c2C(F)(F)F; CC(=O)N 1CCc2c1ccc(c2C(F)(F)F)Cl |
1-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone |
| 39624 | RG1 ZINC000584905650 |
0 | C46 H66 O6 | InChI=1S/C46H66O6/c1-34(2 )19-13-22-37(5)25-16-28-3 8(6)26-14-23-35(3)20-11-1 2-21-36(4)24-15-27-39(7)2 9-17-30-40(8)31-18-32-46( 9,10)52-45-44(50)43(49)42 (48)41(33-47)51-45/h11-17 ,19-30,41-45,47-50H,18,31 -33H2,1-10H3/b12-11+,22-1 3+,23-14+,24-15+,28-16+,2 9-17+,35-20+,36-21+,37-25 +,38-26+,39-27+,40-30+/t4 1-,42-,43+,44-,45+/m1/s1; ISHBHDBCVQRMDY-GZIKAPSJSA-N |
CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC= C(C)C=CC=C(C)CCCC(C)(C)OC1C(C(C(C(O1)CO) O)O)O)C)C)C)C; CC(C)=CC=CC(C)=CC=CC(C)=C C=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC (C)(C)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1 O; CC(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C(C )=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\CCC C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H]( O)[C@H]1O; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C (=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/ CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@ H](O1)CO)O)O)O)/C)/C)/C)C; C1(OC(C(C(C1O )O)O)CO)OC(C)(C)CCCC(C)=[C@H][C@H]=[C@H] C(C)=[C@H][C@H]=[C@H]C(C)=[C@H][C@H]=[C@ H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)[C@H]=[ C@H][C@H]=C(C)[C@H]=[C@H][C@H]=C(C)C |
Rhodopin b-D-glucoside; (3E)-3,4-didehydro-1',2'-dihydro-psi,psi-caroten-1'-yl beta-D-glucopyranoside |
| 39625 | RG2 CHEMBL4591732 ZINC000219657135 |
2 | C17 H11 Cl F3 N3 O2 | InChI=1S/C17H11ClF3N3O2/c 18-11-4-1-9(2-5-11)8-22-1 5-14(16(25)26)23-12-6-3-1 0(17(19,20)21)7-13(12)24- 15/h1-7H,8H2,(H,22,24)(H, 25,26); JMDVDONAIBYSLS-UHFFFAOYSA-N |
OC(=O)c1nc2ccc(cc2nc1NCc3ccc(Cl)cc3)C(F) (F)F; c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F )F)C(=O)O)Cl; FC(F)(F)c1cc2nc(c(nc2cc1)C (=O)O)NCc3ccc(Cl)cc3 |
3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid |
| 39626 | RG3 | 2 | C23 H21 Cl N4 O5 S | InChI=1S/C23H21ClN4O5S/c1 -25-21(29)12-28-11-19(18- 8-14(24)3-5-17(18)23(28)3 1)22(30)27-20-10-26-9-13- 7-15(34(2,32)33)4-6-16(13 )20/h3-10,19H,11-12H2,1-2 H3,(H,25,29)(H,27,30)/t19 -/m1/s1; WWUGNTBTHKNOGA-LJQANCHMSA-N |
CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn cc4c3ccc(c4)S(=O)(=O)C; CNC(=O)CN1C[C@H] (c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3ccc(c4) S(=O)(=O)C; CNC(=O)CN1C[CH](C(=O)Nc2cncc 3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=O; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(ccc23 )[S](C)(=O)=O)c4cc(Cl)ccc4C1=O; CS(=O)(= O)c1ccc2c(c1)cncc2NC(=O)C1CN(CC(=O)NC)C( =O)c2ccc(Cl)cc21 |
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39627 | RG4 CHEMBL1287854 ZINC000063539381 |
4 | C17 H18 N6 | InChI=1S/C17H18N6/c18-7-5 -15(12-3-1-2-4-12)23-10-1 3(9-22-23)16-14-6-8-19-17 (14)21-11-20-16/h6,8-12,1 5H,1-5H2,(H,19,20,21)/t15 -/m0/s1; HFNKQEVNSGCOJV-HNNXBMFYSA-N |
N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc 34; c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@@H](CC #N)C4CCCC4; N#CC[C@@H](C1CCCC1)n2cc(cn2) c3ncnc4[nH]ccc34; c1c[nH]c2c1c(ncn2)c3cn n(c3)C(CC#N)C4CCCC4; c4(c1ncnc2nccc12)cn n(C(CC#N)C3CCCC3)c4 |
(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
| 39628 | RG5 | 1 | C15 H13 F N8 O | InChI=1S/C15H13FN8O/c16-8 -1-2-9-10(5-8)19-14-12(9) 15(18-7-17-14)24-3-4-25-1 1(6-24)13-20-22-23-21-13/ h1-2,5,7,11H,3-4,6H2,(H,1 7,18,19)(H,20,21,22,23)/t 11-/m1/s1; BPQSGQBVNCJOKS-LLVKDONJSA-N |
Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn [NH]1; Fc1ccc2c([nH]c3ncnc(N4CCO[CH](C4) c5[nH]nnn5)c23)c1; c1cc2c(cc1F)[nH]c3c2c (ncn3)N4CCO[C@H](C4)c5[nH]nnn5; c1cc2c(c c1F)[nH]c3c2c(ncn3)N4CCOC(C4)c5[nH]nnn5; Fc1ccc2c([nH]c3ncnc(N4CCO[C@H](C4)c5[nH ]nnn5)c23)c1 |
7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole |
| 39629 | RG6 | 1 | C8 H3 Cl F6 O S2 | InChI=1S/C8H3ClF6OS2/c9-4 -1-3(17-7(10,11)12)2-5(6( 4)16)18-8(13,14)15/h1-2,1 6H; VFNOHWLGFSZWDJ-UHFFFAOYSA-N |
Oc1c(Cl)cc(SC(F)(F)F)cc1SC(F)(F)F; Oc1c( SC(F)(F)F)cc(cc1Cl)SC(F)(F)F; c1c(cc(c(c 1SC(F)(F)F)O)Cl)SC(F)(F)F |
2-chloro-4,6-bis[(trifluoromethyl)sulfanyl]phenol |
| 39630 | RG7 CHEMBL4643996 |
2 | C23 H26 Cl2 F4 N4 O5 S2 | InChI=1S/C23H26Cl2F4N4O5S 2/c1-11(23(27,28)29)32-40 (37,38)14-5-4-13(15(24)16 (14)25)18-17(21(35)33-8-6 -12(26)7-9-33)31-20(39-18 )19(34)30-10-22(2,3)36/h4 -5,11-12,32,36H,6-10H2,1- 3H3,(H,30,34)/t11-/m0/s1; VZRCTKJCGGBKBW-NSHDSACASA-N |
c3(c1c(nc(C(=O)NCC(C)(C)O)s1)C(N2CCC(CC2 )F)=O)c(Cl)c(c(cc3)S(NC(C)C(F)(F)F)(=O)= O)Cl; CC(C(F)(F)F)NS(=O)(=O)c1ccc(c(c1Cl )Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(=O)N3CCC (CC3)F; C[C@@H](C(F)(F)F)NS(=O)(=O)c1ccc (c(c1Cl)Cl)c2c(nc(s2)C(=O)NCC(C)(C)O)C(= O)N3CCC(CC3)F; C[CH](N[S](=O)(=O)c1ccc(c (Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3)C(=O)N CC(C)(C)O)C(F)(F)F; C[C@H](N[S](=O)(=O)c 1ccc(c(Cl)c1Cl)c2sc(nc2C(=O)N3CCC(F)CC3) C(=O)NCC(C)(C)O)C(F)(F)F |
5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide |
| 39631 | RG9 | 2 | C20 H19 Cl N2 O2 | InChI=1S/C20H19ClN2O2/c1- 20(2,25)15-6-7-17-14(10-1 5)11-22-12-18(17)23-19(24 )9-13-4-3-5-16(21)8-13/h3 -8,10-12,25H,9H2,1-2H3,(H ,23,24); OUTGZQNFEUVFAN-UHFFFAOYSA-N |
CC(C)(c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)C l)O; CC(C)(O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3 )cncc2c1; Clc1cccc(c1)CC(=O)Nc1cncc2cc(c cc21)C(C)(C)O |
2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide |
| 39632 | RGA DB04774 ZINC000169621246 |
1 | C54 H87 N O13 | InChI=1S/C54H87NO13/c1-35 -18-16-20-51(58)68-54(41( 7)53(66-15)37(3)23-26-46( 57)39(5)47(63-12)19-17-27 -55(8)34-56)38(4)22-25-43 (60-9)32-48(64-13)36(2)21 -24-44(61-10)33-49(65-14) 40(6)50-30-42(31-52(59)67 -50)29-45(28-35)62-11/h16 -18,20-22,24-25,27,31,34, 36-41,43-45,47-50,53-54H, 19,23,26,28-30,32-33H2,1- 15H3/b20-16+,24-21+,25-22 +,27-17+,35-18+/t36-,37-, 38-,39-,40+,41-,43-,44+,4 5+,47+,48-,49-,50+,53-,54 -/m0/s1; LOYDTENNTZZQJM-DIUYYEMASA-N |
O=CN(\C=C\CC(OC)C(C(=O)CCC(C)C(OC)C(C)C1 OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC )CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C)C ; CO[C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H] (C)/C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[ C@H](C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O) O2)C1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C) CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O)OC)/ C; C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H] 2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[ C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C) [C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[ C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC; CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=C C(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC( =O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC; CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH ](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH]( C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH] (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C= O)OC)C |
REIDISPONGIOLIDE A; N-((E)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((5Z,7Z,13Z,19Z)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIO XO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODEC-1-ENYL)-N-METHYLFORMAMIDE |
| 39633 | RGC DB04775 ZINC000263620951 |
1 | C52 H84 O14 | InChI=1S/C52H84O14/c1-32- 16-15-17-49(56)66-52(38(7 )51(64-14)34(3)20-23-43(5 3)36(5)44(61-11)24-25-48( 54)55)35(4)19-22-40(58-8) 30-45(62-12)33(2)18-21-41 (59-9)31-46(63-13)37(6)47 -28-39(29-50(57)65-47)27- 42(26-32)60-10/h15-19,21- 22,29,33-38,40-42,44-47,5 1-52H,20,23-28,30-31H2,1- 14H3,(H,54,55)/b17-15+,21 -18+,22-19+,32-16+/t33-,3 4-,35-,36-,37+,38-,40-,41 +,42+,44+,45-,46-,47+,51- ,52-/m0/s1; QTLSHCJDXCYLJK-VRWAWWQJSA-N |
CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH] (C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C )[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH]( OC)[CH](C)CCC(=O)[CH](C)[CH](CCC(O)=O)OC )C; CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=C C=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)C CC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)C)OC)OC; O=C(O)CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC (=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)C C(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C; CO [C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H](C)/ C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[C@H] (C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)O2)C 1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCC( =O)[C@H](C)[C@@H](CCC(O)=O)OC)/C; C[C@H] 1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(= O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@ H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C) [C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC (=O)O)OC)OC)/C)OC)C)OC)OC |
REIDISPONGIOLIDE C; (4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17 ,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)D ODECANOIC ACID |
| 39634 | RGD | 1 | C14 H23 N O4 | InChI=1S/C14H23NO4/c16-5- 4-14-9-15(13(18)10-2-1-3- 10)7-11(14)6-12(8-17)19-1 4/h10-12,16-17H,1-9H2/t11 -,12-,14+/m0/s1; LOAFEZNLOIOHIT-SGMGOOAPSA-N |
C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO; C1CC (C1)C(=O)N2CC3CC(OC3(C2)CCO)CO; OCC[C]12 CN(C[CH]1C[CH](CO)O2)C(=O)C3CCC3; OCC[C@ @]12CN(C[C@@H]1C[C@@H](CO)O2)C(=O)C3CCC3 ; C1CC(C1)C(=O)N2C[C@@H]3C[C@H](O[C@@]3( C2)CCO)CO |
cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone |
| 39635 | RGE | 2 | C8 H17 N3 O3 S | InChI=1S/C8H17N3O3S/c1-15 (14)5-7(10)11-4-2-3-6(9)8 (12)13/h6H,2-5,9H2,1H3,(H 2,10,11)(H,12,13)/t6-,15+ /m0/s1; PZGMBMRDRVWIGU-WDDATRMLSA-N |
[H]/N=C(\CS(=O)C)/NCCC[C@@H](C(=O)O)N; C [S@@](=O)CC(=N)NCCC[C@H](N)C(O)=O; O=S(C C(=[N@H])NCCCC(C(=O)O)N)C; CS(=O)CC(=N)N CCCC(C(=O)O)N; C[S](=O)CC(=N)NCCC[CH](N) C(O)=O |
(2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID |
| 39636 | RGF | 1 | C18 H17 F N4 O2 | InChI=1S/C18H17FN4O2/c19- 10-2-3-11-13(6-10)22-15-1 4(11)16(21-9-20-15)23-7-1 2(17(24)25)18(8-23)4-1-5- 18/h2-3,6,9,12H,1,4-5,7-8 H2,(H,24,25)(H,20,21,22)/ t12-/m0/s1; RJMONMRVOQBIPJ-LBPRGKRZSA-N |
OC(=O)[CH]1CN(CC12CCC2)c3ncnc4[nH]c5cc(F )ccc5c34; OC(=O)[C@@H]1CN(CC12CCC2)c3ncn c4[nH]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3 c2c(ncn3)N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C 1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H](C5(C 4)CCC5)C(=O)O |
(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid |
| 39637 | RGG CHEMBL446492 ZINC000004096297 |
2 | C9 H18 O8 | InChI=1S/C9H18O8/c10-1-4( 12)3-16-9-8(15)7(14)6(13) 5(2-11)17-9/h4-15H,1-3H2/ t4-,5-,6+,7+,8-,9-/m1/s1; NHJUPBDCSOGIKX-NTXXKDEISA-N |
OC[CH](O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[ CH]1O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@@ H](O1)OC[C@@H](CO)O)O)O)O)O; O(CC(O)CO)C 1OC(C(O)C(O)C1O)CO; C(C1C(C(C(C(O1)OCC(C O)O)O)O)O)O; OC[C@@H](O)CO[C@@H]1O[C@H]( CO)[C@H](O)[C@H](O)[C@H]1O |
(2R)-2,3-dihydroxypropyl beta-D-galactopyranoside; (2R)-glyceryl-beta-D-galactopyranoside; (2R)-2,3-dihydroxypropyl beta-D-galactoside; (2R)-2,3-dihydroxypropyl D-galactoside; (2R)-2,3-dihydroxypropyl galactoside |
| 39638 | RGI | 0 | C2 H5 N O2 | InChI=1S/C2H5NO2/c1-3-2(4 )5/h3H,1H3,(H,4,5); UFEJKYYYVXYMMS-UHFFFAOYSA-N |
CNC(O)=O; CNC(=O)O; O=C(O)NC | METHYLCARBAMIC ACID |
| 39639 | RGJ CHEMBL4783492 ZINC000584905651 |
1 | C19 H17 Cl F N3 O3 | InChI=1S/C19H17ClFN3O3/c1 -22-19(25)12-9-23-15-8-17 (27-3)16(26-2)7-11(15)18( 12)24-14-5-4-10(20)6-13(1 4)21/h4-9H,1-3H3,(H,22,25 )(H,23,24); MXBCVSLLTIRSIL-UHFFFAOYSA-N |
CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC )OC; CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc3ccc (Cl)cc3F |
4-(4-CHLORO-2-FLUORO-ANILINO)-6,7-DIMETHOXY-N-METHYL-QUINOLINE-3-CARBOXAMIDE |
| 39640 | RGK CHEMBL3827921 ZINC000017060408 |
2 | C14 H11 N3 O | InChI=1S/C14H11N3O/c15-10 -7-5-9(6-8-10)13-16-12-4- 2-1-3-11(12)14(18)17-13/h 1-8H,15H2,(H,16,17,18); PHQBXCTZDRMXMX-UHFFFAOYSA-N |
Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2; O=C2c3cc ccc3N=C(c1ccc(N)cc1)N2; c1ccc2c(c1)C(=O) NC(=N2)c3ccc(cc3)N |
2-(4-aminophenyl)-3,4-dihydroquinazolin-4-one |
| 39641 | RGL | 0 | C6 H15 N4 O | InChI=1S/C6H14N4O/c7-5(4- 11)2-1-3-10-6(8)9/h4-5H,1 -3,7H2,(H4,8,9,10)/p+1/t5 -/m0/s1; QJYRUYURLPTHLR-YFKPBYRVSA-O |
N[CH](CCCNC(N)=[NH2+])C=O; O=CC(N)CCCN\C (=[NH2+])N; C(CC(C=O)N)CNC(=[NH2+])N; C( C[C@@H](C=O)N)CNC(=[NH2+])N; N[C@@H](CCC NC(N)=[NH2+])C=O |
ARGINAL |
| 39642 | RGM | 1 | C14 H17 N3 O2 | InChI=1S/C14H17N3O2/c1-8( 18)17-6-9-3-12-10-4-15-5- 11(10)13(19)14(9,7-17)16( 12)2/h4-5,9,12,15H,3,6-7H 2,1-2H3/t9-,12-,14+/m0/s1; CPZLROCUKBXZER-DUFXMDAXSA-N |
CC(=O)N1CC2CC3c4c[nH]cc4C(=O)C2(C1)N3C; CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH]cc24) C(C)=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C(=O) c4c[nH]cc24)C(C)=O; CC(=O)N1C[C@@H]2C[C@ H]3c4c[nH]cc4C(=O)[C@]2(C1)N3C; C1(=O)C4 3C(CC(c2cncc12)N3C)CN(C(C)=O)C4 |
(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one |
| 39643 | RGN CHEMBL4531025 ZINC000095774681 |
1 | C5 H8 F2 O2 | InChI=1S/C5H8F2O2/c6-5(7) 1-3(8)4(9)2-5/h3-4,8-9H,1 -2H2/t3-,4-/m1/s1; RQJNPJXCMOLSSC-QWWZWVQMSA-N |
O[C@@H]1CC(F)(F)C[C@H]1O; C1C(C(CC1(F)F) O)O; C1[C@H]([C@@H](CC1(F)F)O)O; O[CH]1C C(F)(F)C[CH]1O |
(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol |
| 39644 | RGO | 1 | C11 H9 F2 N O | InChI=1S/C11H9F2NO/c12-11 (13)6-8-5-7-3-1-2-4-9(7)1 4(8)10(11)15/h1-4,8H,5-6H 2/t8-/m0/s1; FBNLACZWDFCRLD-QMMMGPOBSA-N |
c1ccc2c(c1)C[C@@H]3N2C(=O)C(C3)(F)F; FC1 (F)C[CH]2Cc3ccccc3N2C1=O; c1ccc2c(c1)CC3 N2C(=O)C(C3)(F)F; FC1(F)C[C@@H]2Cc3ccccc 3N2C1=O |
(3~{a}~{S})-2,2-bis(fluoranyl)-3~{a},4-dihydro-3~{H}-pyrrolo[1,2-a]indol-1-one |
| 39645 | RGP ZINC000003870044 |
13 | C5 H10 N O7 P | InChI=1S/C5H10NO7P/c6-3(5 (8)9)1-2-4(7)13-14(10,11) 12/h3H,1-2,6H2,(H,8,9)(H2 ,10,11,12)/t3-/m1/s1; PJRXVIJAERNUIP-GSVOUGTGSA-N |
N[CH](CCC(=O)O[P](O)(O)=O)C(O)=O; O=C(OP (=O)(O)O)CCC(C(=O)O)N; C(CC(=O)OP(=O)(O) O)C(C(=O)O)N; N[C@H](CCC(=O)O[P](O)(O)=O )C(O)=O; C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O )N |
GAMMA-GLUTAMYL PHOSPHATE; 5-OXO-5-(PHOSPHONOOXY)-D-NORVALINE |
| 39646 | RGQ | 2 | C22 H20 Cl F N4 O2 | InChI=1S/C22H20ClFN4O2/c1 -25-21(29)12-28-10-13-2-3 -15(23)7-18(13)19(11-28)2 2(30)27-20-9-26-8-14-6-16 (24)4-5-17(14)20/h2-9,19H ,10-12H2,1H3,(H,25,29)(H, 27,30)/t19-/m1/s1; HSFVRLOBMRHDCQ-LJQANCHMSA-N |
CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3 ccc(c4)F)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cnc c3cc(F)ccc23)c4cc(Cl)ccc4C1; CNC(=O)CN1C c2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc(c4 )F)Cl; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc (F)ccc23)c4cc(Cl)ccc4C1; Fc1ccc2c(c1)cnc c2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC |
(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39647 | RGS ZINC000024986459 |
1 | C20 H32 N6 O12 S2 | InChI=1S/C20H32N6O12S2/c2 1-9(19(35)36)1-3-23-17(33 )11(25-13(27)5-15(29)30)7 -39-40-8-12(26-14(28)6-16 (31)32)18(34)24-4-2-10(22 )20(37)38/h9-12H,1-8,21-2 2H2,(H,23,33)(H,24,34)(H, 25,27)(H,26,28)(H,29,30)( H,31,32)(H,35,36)(H,37,38 )/t9-,10-,11+,12+/m0/s1; MRZMTLNHPCSZCE-NNYUYHANSA-N |
C(CNC(=O)C(CSSCC(C(=O)NCCC(C(=O)O)N)NC(= O)CC(=O)O)NC(=O)CC(=O)O)C(C(=O)O)N; C(CN C(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(= O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H] (C(=O)O)N; N[CH](CCNC(=O)[CH](CSSC[CH](N C(=O)CC(O)=O)C(=O)NCC[CH](N)C(O)=O)NC(=O )CC(O)=O)C(O)=O; N[C@@H](CCNC(=O)[C@@H]( CSSC[C@@H](NC(=O)CC(O)=O)C(=O)NCC[C@H](N )C(O)=O)NC(=O)CC(O)=O)C(O)=O; O=C(NC(C(= O)NCCC(C(=O)O)N)CSSCC(C(=O)NCCC(C(=O)O)N )NC(=O)CC(=O)O)CC(=O)O |
4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDE |
| 39648 | RGT ZINC000098209365 |
1 | C15 H25 N5 O21 P4 | InChI=1S/C15H25N5O21P4/c1 6-15-18-11-6(12(19-15)39- 14-10(24)8(22)5(38-14)1-3 5-42(25,26)27)17-3-20(11) 13-9(23)7(21)4(37-13)2-36 -44(31,32)41-45(33,34)40- 43(28,29)30/h3-5,7-10,13- 14,21-24H,1-2H2,(H,31,32) (H,33,34)(H2,16,18,19)(H2 ,25,26,27)(H2,28,29,30)/t 4-,5-,7-,8-,9-,10-,13-,14 +/m1/s1; CZRRKFZDNKXXKR-MHJQXXNXSA-N |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO [P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)n c(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(= O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O )OCC4OC(n2cnc1c(nc(nc12)N)OC3OC(C(O)C3O) COP(=O)(O)O)C(O)C4O; Nc1nc(O[CH]2O[CH](C O[P](O)(O)=O)[CH](O)[CH]2O)c3ncn([CH]4O[ CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O) [CH](O)[CH]4O)c3n1; c1nc2c(n1C3C(C(C(O3) COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)nc(nc2 OC4C(C(C(O4)COP(=O)(O)O)O)O)N; Nc1nc(O[C @@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H] 2O)c3ncn([C@@H]4O[C@H](CO[P@](O)(=O)O[P@ @](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O)c 3n1 |
2-amino-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-yl 5-O-phosphono-beta-D-ribofuranoside; (Ribose-5'-phosphate)-(guanosine-5'-triphosphate) |
| 39649 | RGU | 1 | C11 H11 N O | InChI=1S/C11H11NO/c13-11- 6-5-9-7-8-3-1-2-4-10(8)12 (9)11/h1-4,9H,5-7H2/t9-/m 1/s1; QPPMCKRHXDXQPA-SECBINFHSA-N |
c1ccc2c(c1)CC3N2C(=O)CC3; O=C1CC[CH]2Cc3 ccccc3N12; O=C1CC[C@@H]2Cc3ccccc3N12; c1 ccc2c(c1)C[C@@H]3N2C(=O)CC3 |
(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one |
| 39650 | RGV | 1 | C13 H15 N3 O2 | InChI=1S/C13H15N3O2/c1-15 -11-2-8-5-16(7-17)6-13(8, 15)12(18)10-4-14-3-9(10)1 1/h3-4,7-8,11,14H,2,5-6H2 ,1H3/t8-,11-,13+/m0/s1; HQZKECRFEYSMAO-LJUAHTATSA-N |
C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C; CN1C 2CC3C1(CN(C3)C=O)C(=O)c4c2c[nH]c4; CN1[C @H]2C[C@@H]3[C@]1(CN(C3)C=O)C(=O)c4c2c[n H]c4; CN1[CH]2C[CH]3CN(C[C]13C(=O)c4c[nH ]cc24)C=O; CN1[C@H]2C[C@H]3CN(C[C@@]13C( =O)c4c[nH]cc24)C=O |
(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde |
| 39651 | RGW | 1 | C30 H36 Cl N5 O S | InChI=1S/C30H36ClN5OS/c1- 16-17(2)38-29-26(16)27(22 -4-6-23(31)7-5-22)33-24(2 8-35-34-18(3)36(28)29)11- 25(37)32-15-30-12-19-8-20 (13-30)10-21(9-19)14-30/h 4-7,19-21,24,27,33H,8-15H 2,1-3H3,(H,32,37)/t19-,20 +,21-,24-,27+,30-/m0/s1; BCOLLUBWOHQGAB-OGTRMZBGSA-N |
Cc1c(sc-2c1[C@H](N[C@H](c3n2c(nn3)C)CC(= O)NCC45CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C; Cc1c(sc-2c1C(NC(c3n2c(nn3)C)CC(=O)NCC45 CC6CC(C4)CC(C6)C5)c7ccc(cc7)Cl)C; Cc1sc2 n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4 )C5)N[CH](c7ccc(Cl)cc7)c2c1C; Cc1sc2n3c( C)nnc3[C@H](CC(=O)NCC45CC6CC(CC(C6)C4)C5 )N[C@H](c7ccc(Cl)cc7)c2c1C |
~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide |
| 39652 | RGX | 2 | C22 H21 Cl N4 O3 S | InChI=1S/C22H21ClN4O3S/c2 3-16-6-5-15-12-27(31(29,3 0)26-17-7-8-17)13-20(19(1 5)9-16)22(28)25-21-11-24- 10-14-3-1-2-4-18(14)21/h1 -6,9-11,17,20,26H,7-8,12- 13H2,(H,25,28)/t20-/m1/s1; XGZIABVELMXRKW-HXUWFJFHSA-N |
Clc1ccc2CN(C[CH](C(=O)Nc3cncc4ccccc34)c2 c1)[S](=O)(=O)NC5CC5; O=S(=O)(NC1CC1)N1C c2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; c 1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(c c4)Cl)S(=O)(=O)NC5CC5; Clc1ccc2CN(C[C@@H ](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)N C5CC5; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3c c(cc4)Cl)S(=O)(=O)NC5CC5 |
(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39653 | RGY | 2 | C12 H17 N3 O2 | InChI=1S/C12H17N3O2/c1-6- 9-10(17-14-6)8-3-7-4-13-5 -12(7,11(9)16)15(8)2/h7-8 ,11,13,16H,3-5H2,1-2H3/t7 -,8-,11+,12+/m0/s1; ORUIQGBPSJFGIC-LDDIKCJXSA-N |
Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H ]2O)N3C; Cc1c2c(on1)C3CC4CNCC4(C2O)N3C; CN1[C@H]2C[C@H]3CNC[C@@]13[C@H](O)c4c(C) noc24; CN1[CH]2C[CH]3CNC[C]13[CH](O)c4c( C)noc24; N1(C3c4onc(C)c4C(C12C(CNC2)C3)O )C |
(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol |
| 39654 | RGZ CHEMBL333304 ZINC000000968330 |
3 | C18 H19 N3 O3 S | InChI=1S/C18H19N3O3S/c1-2 1(16-4-2-3-9-19-16)10-11- 24-14-7-5-13(6-8-14)12-15 -17(22)20-18(23)25-15/h2- 9,15H,10-12H2,1H3,(H,20,2 2,23)/t15-/m1/s1; YASAKCUCGLMORW-OAHLLOKOSA-N |
CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3cccc n3; O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C) cc3; CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O) S2)c3ccccn3; CN(CCOc1ccc(C[C@H]2SC(=O)NC 2=O)cc1)c3ccccn3; CN(CCOc1ccc(cc1)CC2C(= O)NC(=O)S2)c3ccccn3 |
(R)-ROSIGLITAZONE |
| 39655 | RH | 13 | Rh | InChI=1S/Rh/q+1; OBDSITLACDGNMC-UHFFFAOYSA-N |
[Rh+] | Rhodium |
| 39656 | RH0 ZINC000098209366 |
0 | C12 H17 N O3 S | InChI=1S/C12H17NO3S/c13-1 0(6-12(15)16)11(14)8-17-7 -9-4-2-1-3-5-9/h1-5,10-11 ,14H,6-8,13H2,(H,15,16)/t 10-,11+/m0/s1; GEDFPMRZBOLEQA-WDEREUQCSA-N |
c1ccc(cc1)CSCC(C(CC(=O)O)N)O; O=C(O)CC(N )C(O)CSCc1ccccc1; c1ccc(cc1)CSC[C@H]([C@ H](CC(=O)O)N)O; N[CH](CC(O)=O)[CH](O)CSC c1ccccc1; N[C@@H](CC(O)=O)[C@H](O)CSCc1c cccc1 |
3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid |
| 39657 | RH1 CHEMBL1235676 DB04090 |
8 | C12 H14 N2 O3 | InChI=1S/C12H14N2O3/c1-7- 9(13-2-3-13)12(17)8(6-15) 10(11(7)16)14-4-5-14/h15H ,2-6H2,1H3; JKDLOGLNPDVUCX-UHFFFAOYSA-N |
CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3; CC1 =C(N2CC2)C(=O)C(=C(N3CC3)C1=O)CO; O=C1C( =C(C(=O)C(=C1N2CC2)C)N3CC3)CO |
2,5-DIAZIRIDIN-1-YL-3-(HYDROXYMETHYL)-6-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE |
| 39658 | RH2 ZINC000263620638 |
2 | C16 H22 N4 O S | InChI=1S/C16H22N4OS/c17-8 -2-1-5-14(16(18)21)20-11- 13-6-7-15(22-13)12-4-3-9- 19-10-12/h3-4,6-7,9-10,14 ,20H,1-2,5,8,11,17H2,(H2, 18,21)/t14-/m0/s1; KBSBPTGVGQZWKP-AWEZNQCLSA-N |
c1cc(cnc1)c2ccc(s2)CNC(CCCCN)C(=O)N; NCC CC[C@H](NCc1sc(cc1)c2cccnc2)C(N)=O; c1cc (cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N; NC CCC[CH](NCc1sc(cc1)c2cccnc2)C(N)=O; NC(C (NCc1sc(cc1)c2cccnc2)CCCCN)=O |
N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide |
| 39659 | RH3 | 11 | Rh | InChI=1S/Rh/q+3; PZSJYEAHAINDJI-UHFFFAOYSA-N |
[Rh+3] | RHODIUM(III) ION |
| 39660 | RH4 | 1 | C13 H13 N O3 | InChI=1S/C13H13NO3/c1-16- 13(15)12(9-11-3-2-8-17-11 )10-4-6-14-7-5-10/h2-8,12 H,9H2,1H3/t12-/m1/s1; DTRVWRJNHJVAQQ-GFCCVEGCSA-N |
COC(=O)C(Cc1ccco1)c2ccncc2; COC(=O)[C@H] (Cc1ccco1)c2ccncc2; COC(=O)[CH](Cc1occc1 )c2ccncc2; COC(=O)[C@H](Cc1occc1)c2ccncc 2; c2(CC(c1ccncc1)C(OC)=O)ccco2 |
methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate |
| 39661 | RH5 | 3 | C21 H20 B N3 O3 | InChI=1S/C21H20BN3O3/c23- 21(24)17-8-7-16(11-20(17) 27-13-14-4-3-9-25-12-14)1 9-10-15-5-1-2-6-18(15)22( 26)28-19/h1-9,11-12,19,26 H,10,13H2,(H3,23,24)/t19- /m1/s1; YENXZRUMZHNJKP-LJQANCHMSA-N |
NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4 B(O)O3; NC(=N)c1ccc(cc1OCc2cccnc2)[C@H]3 Cc4ccccc4B(O)O3; [H]/N=C(/c1ccc(cc1OCc2c ccnc2)[C@H]3Cc4ccccc4B(O3)O)\N; B1(c2ccc cc2CC(O1)c3ccc(c(c3)OCc4cccnc4)C(=N)N)O |
4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
| 39662 | RH6 | 5 | C16 H19 N O2 | InChI=1S/C16H19NO2/c1-4-7 -13-10-12-8-9-14(17(5-2)6 -3)11-15(12)19-16(13)18/h 4,7-11H,5-6H2,1-3H3/b7-4+; YRIYSICZBXXPLJ-QPJJXVBHSA-N |
CCN(CC)c1ccc2C=C(/C=C/C)C(=O)Oc2c1; CCN( CC)c1ccc2c(c1)OC(=O)C(=C2)/C=C/C; CCN(CC )c1ccc2C=C(C=CC)C(=O)Oc2c1; CCN(CC)c1ccc 2C=C(\C=C\C)C(=O)Oc2c1; CCN(CC)c1ccc2c(c 1)OC(=O)C(=C2)C=CC |
(2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form |
| 39663 | RH7 | 1 | C13 H15 N3 O3 | InChI=1S/C13H15N3O3/c1-18 -12(17)16-6-8-4-10-11-9(1 4-2-3-15-11)5-13(8,7-16)1 9-10/h2-3,8,10H,4-7H2,1H3 /t8-,10-,13+/m0/s1; CTKPJJRUGQCIDS-GMOODISLSA-N |
COC(=O)N1CC2CC3c4c(nccn4)CC2(C1)O3; COC( =O)N1C[C@@H]2C[C@H]3c4c(nccn4)C[C@]2(C1) O3; COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4ncc nc34; COC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C 1)Cc4nccnc34; c41nccnc1C3CC2CN(C(OC)=O)C C2(O3)C4 |
methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate |
| 39664 | RH8 | 1 | C21 H21 F N8 | InChI=1S/C21H21FN8/c1-28- 9-11-29(12-10-28)20-5-4-1 5(13-17(20)22)26-21-23-8- 6-18(27-21)16-14-25-30-19 (16)3-2-7-24-30/h2-8,13-1 4H,9-12H2,1H3,(H,23,26,27 ); YKOSORGDWOWAJE-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4cnn5ncccc4 5)cc2F; CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3 )c4cnn5c4cccn5 |
~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
| 39665 | RH9 | 2 | C78 H124 N4 O22 | InChI=1S/C78H124N4O22/c1- 51(33-35-61(87)53(3)63(95 -13)31-25-37-81(9)49-83)6 7(99-17)43-71-77(5,6)69(8 9)45-73-79-59(47-101-73)6 5(97-15)29-23-20-22-28-58 (94-12)40-56(86)42-76(92) 104-72(44-68(100-18)52(2) 34-36-62(88)54(4)64(96-14 )32-26-38-82(10)50-84)78( 7,8)70(90)46-74-80-60(48- 102-74)66(98-16)30-24-19- 21-27-57(93-11)39-55(85)4 1-75(91)103-71/h19-28,37- 38,47-58,63-72,85-86,89-9 0H,29-36,39-46H2,1-18H3/b 23-20+,24-19+,27-21+,28-2 2+,37-25+,38-26+/t51-,52- ,53-,54-,55-,56-,57-,58-, 63+,64+,65-,66-,67-,68-,6 9-,70-,71-,72-/m0/s1; MWDPPGCTEBRUNT-IKBNIWNCSA-N |
CC(CCC(=O)C(C)C(CC=CN(C)C=O)OC)C(CC1C(C( Cc2nc(co2)C(CC=CC=CC(CC(CC(=O)OC(C(C(Cc3 nc(co3)C(CC=CC=CC(CC(CC(=O)O1)O)OC)OC)O) (C)C)CC(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC) OC)O)OC)OC)O)(C)C)OC; CO[C@@H]\1C[C@H](O )CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O )[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)C(C)(C) [C@@H](O)Cc2occ(n2)[C@H](C\C=C\C=C\[C@@H ](C[C@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H ](C)CCC(=O)[C@H](C)[C@@H](C\C=C\N(C)C=O) OC)C(C)(C)[C@@H](O)Cc3occ(n3)[C@H](C/C=C /C=C\1)OC)OC)OC; CO[CH]1C[CH](O)CC(=O)O[ CH](C[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](C C=CN(C)C=O)OC)C(C)(C)[CH](O)Cc2occ(n2)[C H](CC=CC=C[CH](C[CH](O)CC(=O)O[CH](C[CH] (OC)[CH](C)CCC(=O)[CH](C)[CH](CC=CN(C)C= O)OC)C(C)(C)[CH](O)Cc3occ(n3)[CH](CC=CC= C1)OC)OC)OC; C[C@@H](CCC(=O)[C@H](C)[C@@ H](C\C=C\N(C)C=O)OC)[C@H](C[C@H]1C([C@H] (Cc2nc(co2)[C@H](C\C=C\C=C\[C@@H](C[C@@H ](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](C \C=C\C=C\[C@@H](C[C@@H](CC(=O)O1)O)OC)OC )O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C) [C@@H](C\C=C\N(C)C=O)OC)OC)O)OC)OC)O)(C) C)OC; O=C(C(C)C(OC)C\C=C\N(C=O)C)CCC(C)C (OC)CC3OC(=O)CC(O)CC(OC)C=CC=CCC(OC)c1nc (oc1)CC(O)C(C)(C)C(OC(=O)CC(O)CC(OC)C=CC =CCC(OC)c2nc(oc2)CC(O)C3(C)C)CC(OC)C(C)C CC(=O)C(C)C(OC)C\C=C\N(C=O)C |
RHIZOPODIN |
| 39666 | RHA ZINC000038377753 |
0 | C6 H13 O8 P | InChI=1S/C6H13O8P/c1-2-3( 7)4(8)5(9)6(13-2)14-15(10 ,11)12/h2-9H,1H3,(H2,10,1 1,12)/t2-,3-,4+,5+,6-/m0/ s1; PTVXQARCLQPGIR-YJRYQGEOSA-N |
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(= O)(O)O)O)O)O; C[CH]1O[CH](O[P](O)(O)=O)[ CH](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C 1O)C)(O)O; CC1C(C(C(C(O1)OP(=O)(O)O)O)O) O; C[C@@H]1O[C@@H](O[P](O)(O)=O)[C@H](O) [C@H](O)[C@H]1O |
6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose; 6-DEOXY-MANNOSE-1'-PHOSPHATE; 6-deoxy-1-O-phosphono-alpha-L-mannopyranose; 6-deoxy-1-O-phosphono-alpha-L-rhamnose; 6-deoxy-1-O-phosphono-L-rhamnose; 6-deoxy-1-O-phosphono-rhamnose |
| 39667 | RHB CHEMBL1185708 ZINC000003860707 |
2 | C28 H31 N2 O3 | InChI=1S/C28H30N2O3/c1-5- 29(6-2)19-13-15-23-25(17- 19)33-26-18-20(30(7-3)8-4 )14-16-24(26)27(23)21-11- 9-10-12-22(21)28(31)32/h9 -18H,5-8H2,1-4H3/p+1; CVAVMIODJQHEEH-UHFFFAOYSA-O |
CCN(CC)c1ccc2c(OC3=CC(C=CC3=C2c4ccccc4C( O)=O)=[N+](CC)CC)c1; CCN(CC)c1ccc2c(c1)O C3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O ; O=C(O)c4ccccc4C=1c3c(OC=2C=1C=C/C(=[N+ ](/CC)CC)C=2)cc(cc3)N(CC)CC |
N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium |
| 39668 | RHC DB02321 ZINC000004096144 |
1 | C9 H17 N O6 S | InChI=1S/C9H17NO6S/c10-4( 8(13)14)1-2-17-3-5-6(11)7 (12)9(15)16-5/h4-7,9,11-1 2,15H,1-3,10H2,(H,13,14)/ t4-,5+,6+,7+,9+/m0/s1; IQFWYNFDWRYSRA-OEQWSMLSSA-N |
N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O )=O; C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N; C (CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[ C@@H](C(=O)O)N; O=C(O)C(N)CCSCC1OC(O)C(O )C1O; N[C@@H](CCSC[C@H]1O[C@@H](O)[C@H]( O)[C@@H]1O)C(O)=O |
(2S)-2-amino-4-[[(2S,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid; 5-(3-AMINO-4,4-DIHYROXY-BUTYLSULFANYLMETHYL)-TETRAHYDRO-FURAN-2,3,4-TRIOL |
| 39669 | RHD | 0 | H18 N6 Rh | InChI=1S/6H3N.Rh/h6*1H3;/ q;;;;;;+3; JGYYKTIOJIEIKU-UHFFFAOYSA-N |
[NH3][Rh+3]([NH3])([NH3])([NH3])([NH3])[ NH3]; N.N.N.N.N.N.[Rh+3] |
RHODIUM HEXAMINE ION |
| 39670 | RHE | 15 | Cl6 Re | InChI=1S/6ClH.Re/h6*1H;/q ;;;;;;+6/p-6; GSGIQJBJGSKCDZ-UHFFFAOYSA-H |
Cl[Re](Cl)(Cl)(Cl)(Cl)Cl | rhenium (IV) hexachloride; hexachlororhenate ion |
| 39671 | RHF | 0 | Rh | InChI=1S/Rh/q+2; YNWSXIWHOSSPCO-UHFFFAOYSA-N |
[Rh++]; [Rh+2] | RHODIUM(II) ION |
| 39672 | RHG | 3 | C10 H15 F3 N2 O3 S | InChI=1S/C10H15F3N2O3S/c1 1-10(12,13)19(16,17)15-4- 7-3-8-1-2-14-5-9(7,6-15)1 8-8/h7-8,14H,1-6H2/t7-,8+ ,9+/m0/s1; SDCYRSFOCAJCPQ-DJLDLDEBSA-N |
FC(F)(F)[S](=O)(=O)N1C[CH]2C[CH]3CCNC[C] 2(C1)O3; C1CNC[C@@]23CN(C[C@@H]2C[C@@H]1 O3)S(=O)(=O)C(F)(F)F; FC(F)(F)[S](=O)(=O )N1C[C@@H]2C[C@H]3CCNC[C@]2(C1)O3; C2NCC 13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3; C1 CNCC23CN(CC2CC1O3)S(=O)(=O)C(F)(F)F |
(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine |
| 39673 | RHH CHEMBL5077422 |
2 | C19 H19 N7 O | InChI=1S/C19H19N7O/c1-12- 23-15-6-5-14(13-10-16(20) 25-17(21)11-13)24-19(15)2 6(12)8-9-27-18-4-2-3-7-22 -18/h2-7,10-11H,8-9H2,1H3 ,(H4,20,21,25); QXPJTIYARGTANC-UHFFFAOYSA-N |
Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(nc(c4)N) N; Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc( N)c4 |
4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39674 | RHI | 2 | C23 H23 Cl N4 O4 S | InChI=1S/C23H23ClN4O4S/c1 -25-22(29)13-28-11-14-3-4 -16(24)8-19(14)20(12-28)2 3(30)27-21-10-26-9-15-7-1 7(33(2,31)32)5-6-18(15)21 /h3-10,20H,11-13H2,1-2H3, (H,25,29)(H,27,30)/t20-/m 1/s1; MZECSNVKOADBBO-HXUWFJFHSA-N |
CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3 ccc(c4)S(=O)(=O)C)Cl; CS(=O)(=O)c1ccc2c( c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O) NC; CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(cc c23)[S](C)(=O)=O)c4cc(Cl)ccc4C1; CNC(=O) CN1C[CH](C(=O)Nc2cncc3cc(ccc23)[S](C)(=O )=O)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2 [C@@H](C1)C(=O)Nc3cncc4c3ccc(c4)S(=O)(=O )C)Cl |
(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39675 | RHJ | 1 | C14 H21 N O4 | InChI=1S/C14H21NO4/c16-11 -5-10-4-9-6-15(13(18)8-2- 1-3-8)7-14(9,19-10)12(11) 17/h8-12,16-17H,1-7H2/t9- ,10-,11?,12?,14+/m0/s1; BYVLFJJVWOHEND-JCCXBDGPSA-N |
C1CC(C1)C(=O)N2CC3CC4CC(C(C3(C2)O4)O)O; O[C@@H]1C[C@@H]2C[C@H]3CN(C[C@]3(O2)[C@@ H]1O)C(=O)C4CCC4; O[CH]1C[CH]2C[CH]3CN(C [C]3(O2)[CH]1O)C(=O)C4CCC4; O=C(N1CC2CC3 CC(O)C(O)C2(C1)O3)C1CCC1; C1CC(C1)C(=O)N 2C[C@@H]3C[C@H]4CC(C([C@]3(C2)O4)O)O |
cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone |
| 39676 | RHL | 1 | C22 H31 N3 O Rh | InChI=1S/C22H31N3O.Rh/c1- 2-3-4-5-6-7-8-9-10-17-22( 26)25(20-15-11-13-18-23-2 0)21-16-12-14-19-24-21;/h 11-16,18-19H,2-10,17H2,1H 3;; ZXPSHQNTCOAEBQ-UHFFFAOYSA-N |
CCCCCCCCCCCC(=O)N1C2=[N](C=CC=C2)[Rh][N] 3=CC=CC=C31; O=C(N1c3n([Rh]n2c1cccc2)ccc c3)CCCCCCCCCCC; [Rh]|1|n2ccccc2N(C(=O)CC CCCCCCCCC)c3ccccn|13 |
[N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium |
| 39677 | RHM | 0 | C22 H27 N6 Rh | InChI=1S/C14H8N2.C8H19N4. Rh/c15-13-11-7-3-1-5-9(11 )10-6-2-4-8-12(10)14(13)1 6;1-7(9)5-11-3-4-12-6-8(2 )10;/h1-8H;7-11H,3-6H2,1- 2H3;/q-2;-3;+7/t;7-,8-;/m .1./s1; QQQIEFXIPDSOEX-IEPZTSNKSA-N |
C[C@@H]1CNCCN2C[C@@H](C)N[Rh++]23(N1)N=C 4c5ccccc5c6ccccc6C4=N3; C[C@@H]1CNCC[N@@ ]2C[C@H](N[Rh+2]23(N1)N=C4c5ccccc5-c6ccc cc6C4=N3)C; CC1CNCCN2CC(N[Rh+2]23(N1)N=C 4c5ccccc5-c6ccccc6C4=N3)C; N3=C6c1ccccc1 c2ccccc2C6=N[Rh+2]345NC(C)CNCCN5CC(N4)C; C[CH]1CNCCN2C[CH](C)N[Rh++]23(N1)N=C4c5 ccccc5c6ccccc6C4=N3 |
DELTA-ALPHA-RH[2R,9R-DIAMINO-4,7-DIAZADECANE]9,10-PHENANTHRENEQUINONE DIIMINE; RH(ME2TRIEN)PHI |
| 39678 | RHN CHEMBL418068 DB13174 ZINC000004098704 |
4 | C15 H8 O6 | InChI=1S/C15H8O6/c16-9-3- 1-2-7-11(9)14(19)12-8(13( 7)18)4-6(15(20)21)5-10(12 )17/h1-5,16-17H,(H,20,21); FCDLCPWAQCPTKC-UHFFFAOYSA-N |
O=C(O)c3cc2C(=O)c1cccc(O)c1C(=O)c2c(O)c3 ; OC(=O)c1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2 c1; c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O) O)C2=O |
4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid; Rhein; Rhubarb Yellow |
| 39679 | RHO DB03903 |
2 | C28 H25 N3 O5 | InChI=1S/C28H25N3O5/c1-29 (2)16-5-9-20-23(14-16)36- 24-15-17(30(3)4)6-10-21(2 4)27(20)19-8-7-18(13-22(1 9)28(34)35)31-25(32)11-12 -26(31)33/h5-9,11-15H,10H 2,1-4H3,(H,34,35); KGFLZYXDJDOIEE-UHFFFAOYSA-N |
CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4c cc(cc4C(O)=O)N5C(=O)C=CC5=O; CN(C)c1ccc2 c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C( =O)C=CC5=O)N(C)C; O=C1C=CC(=O)N1c5ccc(C= 2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C) c(C(=O)O)c5 |
TETRAMETHYLRHODAMINE-5-MALEIMIDE; TMR |
| 39680 | RHP CHEMBL371428 DB04307 |
2 | C12 H13 N O | InChI=1S/C12H13NO/c1-2-7- 13-12-6-4-9-3-5-10(14)8-1 1(9)12/h1,3,5,8,12-14H,4, 6-7H2/t12-/m1/s1; NRSDGDXUWMMUEV-GFCCVEGCSA-N |
Oc1ccc2CC[CH](NCC#C)c2c1; C#CCNC1CCc2c1c c(cc2)O; Oc1ccc2CC[C@@H](NCC#C)c2c1; C#C CN[C@@H]1CCc2c1cc(cc2)O; Oc1ccc2c(c1)C(N CC#C)CC2 |
(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL; 5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN |
| 39681 | RHQ | 26 | C28 H31 N2 O3 | InChI=1S/C28H30N2O3/c1-6- 29-23-15-25-21(13-17(23)4 )27(19-11-9-10-12-20(19)2 8(31)32-8-3)22-14-18(5)24 (30-7-2)16-26(22)33-25/h9 -16,29H,6-8H2,1-5H3/p+1/b 30-24-; IWWWBRIIGAXLCJ-KRUMMXJUSA-O |
CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O 2)C)c4ccccc4C(=O)OCC; CCNc1cc2OC3=CC(=[N H+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C ; O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(= [NH+]/CC)C=2)C)cc(c(c3)C)NCC; CCNc1cc2c( cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4c cccc4C(=O)OCC |
RHODAMINE 6G |
| 39682 | RHR | 75 | C52 H107 O6 P | InChI=1S/C52H107O6P/c1-42 (2)21-13-23-44(5)25-15-27 -46(7)29-17-31-48(9)33-19 -35-50(11)37-38-56-40-52( 41-58-59(53,54)55)57-39-5 1(12)36-20-34-49(10)32-18 -30-47(8)28-16-26-45(6)24 -14-22-43(3)4/h42-52H,13- 41H2,1-12H3,(H2,53,54,55) /t44-,45+,46-,47-,48-,49- ,50+,51+,52-/m0/s1; LOOIOWMHQRRBDQ-UYUJORPFSA-N |
CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(C OP(=O)(O)O)OCC(C)CCCC(C)CCCC(C)CCCC(C)CC CC(C)C; C[C@H](CCC[C@H](C)CCC[C@@H](C)CC OC[C@@H](COP(=O)(O)O)OC[C@H](C)CCC[C@@H] (C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CCC[C @@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC (C)CCCC(C)CCOCC(OCC(C)CCCC(C)CCCC(C)CCCC (C)CCCC(C)C)COP(O)(=O)O; CC(C)CCC[CH](C) CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](C O[P](O)(O)=O)OC[CH](C)CCC[CH](C)CCC[CH]( C)CCC[CH](C)CCCC(C)C; CC(C)CCC[C@H](C)CC C[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@@ H](CO[P](O)(O)=O)OC[C@H](C)CCC[C@@H](C)C CC[C@@H](C)CCC[C@H](C)CCCC(C)C |
(2S)-3-{[(3R,7S,11S,15S)-3,7,11,15,19-pentamethylicosyl]oxy}-2-{[(2R,6S,10S,14R)-2,6,10,14,18-pentamethylnonadecyl]oxy}propyl dihydrogen phosphate |
| 39683 | RHS DB08474 ZINC000006591680 |
0 | C13 H26 N2 O2 | InChI=1S/C13H26N2O2/c1-6- 9(7-2)15-11(16)8-10(12(14 )17)13(3,4)5/h9-10H,6-8H2 ,1-5H3,(H2,14,17)(H,15,16 )/t10-/m0/s1; UVHRROJQACYJNP-JTQLQIEISA-N |
CCC(CC)NC(=O)C[CH](C(N)=O)C(C)(C)C; O=C( NC(CC)CC)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(= O)CC(C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@ H](C(=O)N)C(C)(C)C; CCC(CC)NC(=O)C[C@@H] (C(N)=O)C(C)(C)C |
3-(CARBOXYAMIDE(2-CARBOXYAMIDE-2-TERTBUTYLETHYL))PENTAN |
| 39684 | RHT CHEMBL5083489 |
1 | C13 H13 N5 | InChI=1S/C13H13N5/c1-18-7 -16-10-3-2-8(4-11(10)18)9 -5-12(14)17-13(15)6-9/h2- 7H,1H3,(H4,14,15,17); SOLATORCLYYKKR-UHFFFAOYSA-N |
Cn1cnc2c1cc(cc2)c3cc(nc(c3)N)N; Cn1cnc2c cc(cc12)c3cc(N)nc(N)c3 |
4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine |
| 39685 | RHU CHEMBL1778133 ZINC000006072296 |
3 | C4 H4 F3 N3 S | InChI=1S/C4H4F3N3S/c1-10- 2(4(5,6)7)8-9-3(10)11/h1H 3,(H,9,11); HUZASKHMPBJXJP-UHFFFAOYSA-N |
Cn1c(nnc1S)C(F)(F)F; Cn1c(S)nnc1C(F)(F)F | 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol |
| 39686 | RHV | 1 | C13 H18 N2 O3 | InChI=1S/C13H18N2O3/c1-4- 18-12(16)8-15-13(17)10(3) 11-7-9(2)5-6-14-11/h5-7,1 0H,4,8H2,1-3H3,(H,15,17)/ t10-/m1/s1; KSDRXGUQEISVKG-SNVBAGLBSA-N |
CCOC(=O)CNC(=O)[CH](C)c1cc(C)ccn1; CCOC( =O)CNC(=O)C(C)c1cc(ccn1)C; C(C(NCC(OCC)= O)=O)(C)c1cc(C)ccn1; CCOC(=O)CNC(=O)[C@H ](C)c1cc(ccn1)C; CCOC(=O)CNC(=O)[C@H](C) c1cc(C)ccn1 |
ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate |
| 39687 | RHW CHEMBL5092362 |
1 | C13 H11 N3 O | InChI=1S/C13H11N3O/c14-12 -6-10(7-13(15)16-12)8-1-2 -11-9(5-8)3-4-17-11/h1-7H ,(H4,14,15,16); GMWUNXLQEKAPBL-UHFFFAOYSA-N |
Nc1cc(cc(N)n1)c2ccc3occc3c2; c1cc2c(cco2 )cc1c3cc(nc(c3)N)N |
4-(1-benzofuran-5-yl)pyridine-2,6-diamine |
| 39688 | RHX | 1 | C24 H19 N2 O2 Rh | InChI=1S/C24H19N2O2.Rh/c1 -3-8-17(9-4-1)21-15-27-23 (25-21)19-12-7-13-20(14-1 9)24-26-22(16-28-24)18-10 -5-2-6-11-18;/h1-13,21-22 H,15-16H2;/t21-,22-;/m1./ s1; FCXWDODCDHPSDA-HLUKFBSCSA-N |
c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C 6=[N]4[C@H](CO6)c7ccccc7; c1ccc(cc1)C2CO C3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7cccc c7; [Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3) C4=N[C@H](CO4)c5ccccc5; [Rh]c1c(cccc1C2= N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5 |
[2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III); [2,6-BIS(4-PHENYL-4,5-DIHYDRO-1,3-OXAZOL-2-YL-KAPPAN)PHENYL-KAPPAC~1~]RHODIUM(3+) |
| 39689 | RHY | 1 | C12 H15 N3 O2 | InChI=1S/C12H15N3O2/c1-7( 16)15-4-8-2-10-11-9(13-6- 14-11)3-12(8,5-15)17-10/h 6,8,10H,2-5H2,1H3,(H,13,1 4)/t8-,10-,12+/m0/s1; FORSPVAMISDLIE-PTOFAABTSA-N |
CC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc3 4; C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4; C C(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3; CC(= O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@]2(C1 )O3; CC(=O)N1C[C@@H]2C[C@@H]3O[C@@]2(C1) Cc4[nH]cnc34 |
1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one |
| 39690 | RHZ CHEMBL5078346 |
1 | C12 H11 Cl N2 O | InChI=1S/C12H11ClN2O/c1-1 6-11-6-8(2-3-10(11)13)9-4 -5-15-12(14)7-9/h2-7H,1H3 ,(H2,14,15); XNQXYTWAWZWTHH-UHFFFAOYSA-N |
COc1cc(ccc1Cl)c2ccnc(c2)N; COc1cc(ccc1Cl )c2ccnc(N)c2 |
4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine |
| 39691 | RI1 | 2 | C18 H14 Cl N3 O3 S | InChI=1S/C18H14ClN3O3S/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/h1-8,10,15,21H,9H2,( H,22,23)/t15-/m1/s1; DEOCOIVMHQCEOX-OAHLLOKOSA-N |
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O) c4c3cc(cc4)Cl; c1ccc2c(c1)cncc2NC(=O)C3C NS(=O)(=O)c4c3cc(cc4)Cl; Clc1ccc2c(c1)C( CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; Clc1ccc 2c(c1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4ccc cc34; Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C (=O)Nc3cncc4ccccc34 |
(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide |
| 39692 | RI2 ZINC000013522068 |
29 | C5 H12 O11 P2 | InChI=1S/C5H12O11P2/c6-3- 2(1-14-17(8,9)10)15-5(4(3 )7)16-18(11,12)13/h2-7H,1 H2,(H2,8,9,10)(H2,11,12,1 3)/t2-,3-,4-,5-/m1/s1; AAAFZMYJJHWUPN-TXICZTDVSA-N |
C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O )O)O)OP(=O)(O)O; O[CH]1[CH](O)[CH](O[CH] 1CO[P](O)(O)=O)O[P](O)(O)=O; O=P(O)(O)OC C1OC(OP(=O)(O)O)C(O)C1O; C(C1C(C(C(O1)OP (=O)(O)O)O)O)OP(=O)(O)O; O[C@H]1[C@@H](O )[C@H](O[C@@H]1CO[P](O)(O)=O)O[P](O)(O)= O |
1,5-di-O-phosphono-alpha-D-ribofuranose; 1,5-di-O-phosphono-alpha-D-ribose; 1,5-di-O-phosphono-D-ribose; 1,5-di-O-phosphono-ribose |
| 39693 | RI3 | 1 | C18 H16 F2 N4 O2 | InChI=1S/C18H16F2N4O2/c19 -10-3-4-11-13(5-10)23-15- 14(11)16(22-8-21-15)24-6- 12(9-1-2-9)18(20,7-24)17( 25)26/h3-5,8-9,12H,1-2,6- 7H2,(H,25,26)(H,21,22,23) /t12-,18-/m0/s1; NYJHYZIQBWNOCJ-SGTLLEGYSA-N |
OC(=O)[C@]1(F)CN(C[C@H]1C2CC2)c3ncnc4[nH ]c5cc(F)ccc5c34; c1cc2c(cc1F)[nH]c3c2c(n cn3)N4CC(C(C4)(C(=O)O)F)C5CC5; OC(=O)[C] 1(F)CN(C[CH]1C2CC2)c3ncnc4[nH]c5cc(F)ccc 5c34; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[C@H ]([C@@](C4)(C(=O)O)F)C5CC5; O=C(O)C1(F)C N(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12 |
(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid |
| 39694 | RI4 | 1 | C21 H23 N5 O | InChI=1S/C21H23N5O/c1-3-8 -14(9-4-1)18-15-10-5-2-6- 11-16(15)22-20(17-12-7-13 -27-17)19(18)21-23-25-26- 24-21/h1,3-4,8-9,17H,2,5- 7,10-13H2,(H,23,24,25,26) /t17-/m1/s1; SKRDIGRVKJJTFE-QGZVFWFLSA-N |
C1CCc2nc([C@H]3CCCO3)c(c4[nH]nnn4)c(c2CC 1)c5ccccc5; c1ccc(cc1)c2c3c(nc(c2c4[nH]n nn4)C5CCCO5)CCCCC3; C1CCc2nc([CH]3CCCO3) c(c4[nH]nnn4)c(c2CC1)c5ccccc5; C1CCCCc2c 1nc(C1CCCO1)c(c1nnn[NH]1)c2c1ccccc1; c1c cc(cc1)c2c3c(nc(c2c4[nH]nnn4)[C@H]5CCCO5 )CCCCC3 |
(3P)-2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
| 39695 | RI5 CHEMBL47244 ZINC000004098166 |
22 | C15 H16 O6 | InChI=1S/C15H16O6/c1-5(2) 7-8-11(16)19-9(7)10-13(3) 14(8,18)4-6-15(13,21-6)12 (17)20-10/h6-10,18H,1,4H2 ,2-3H3/t6-,7+,8-,9-,10-,1 3-,14-,15+/m1/s1; PIMZUZSSNYHVCU-YKWPQBAZSA-N |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O) C[C@H]4O[C@]45C(=O)O[C@H]2[C@]35C; O=C3O C4C1OC(=O)C25OC5CC(O)(C12C)C3C4C(=C)/C; CC(=C)[C@@H]1[C@@H]2[C@@H]3[C@@]4([C@]([ C@H]1C(=O)O2)(C[C@@H]5[C@]4(O5)C(=O)O3)O )C; CC(=C)[CH]1[CH]2OC(=O)[CH]1[C]3(O)C[ CH]4O[C]45C(=O)O[CH]2[C]35C; CC(=C)C1C2C 3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C |
(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione; PICROTOXIN |
| 39696 | RI6 | 1 | C22 H20 Cl2 N4 O2 | InChI=1S/C22H20Cl2N4O2/c1 -25-21(29)12-28-10-13-2-3 -16(24)7-18(13)19(11-28)2 2(30)27-20-9-26-8-14-6-15 (23)4-5-17(14)20/h2-9,19H ,10-12H2,1H3,(H,25,29)(H, 27,30)/t19-/m1/s1; LLZCKRVJSZRHHK-LJQANCHMSA-N |
CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(Cl)ccc 23)c4cc(Cl)ccc4C1; CNC(=O)CN1Cc2ccc(cc2C (C1)C(=O)Nc3cncc4c3ccc(c4)Cl)Cl; CNC(=O) CN1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc c(c4)Cl)Cl; CNC(=O)CN1C[CH](C(=O)Nc2cncc 3cc(Cl)ccc23)c4cc(Cl)ccc4C1; Clc1ccc2c(c 1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)N C |
(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39697 | RI7 | 1 | C17 H17 F N4 O3 | InChI=1S/C17H17FN4O3/c1-2 4-14(23)7-11-8-22(4-5-25- 11)17-15-12-3-2-10(18)6-1 3(12)21-16(15)19-9-20-17/ h2-3,6,9,11H,4-5,7-8H2,1H 3,(H,19,20,21)/t11-/m0/s1; MJWKGJBWQCLDGE-NSHDSACASA-N |
O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3 c12; COC(=O)CC1CN(CCO1)c2c3c4ccc(cc4[nH] c3ncn2)F; COC(=O)C[C@H]1CN(CCO1)c2c3c4cc c(cc4[nH]c3ncn2)F; COC(=O)C[C@H]1CN(CCO1 )c2ncnc3[nH]c4cc(F)ccc4c23; COC(=O)C[CH] 1CN(CCO1)c2ncnc3[nH]c4cc(F)ccc4c23 |
methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate |
| 39698 | RI8 CHEMBL2047876 ZINC000084669114 |
2 | C16 H15 F2 N5 O3 S2 | InChI=1S/C16H15F2N5O3S2/c 1-2-5-28(25,26)23-10-4-3- 9(17)13(11(10)18)22-16(24 )8-6-27-14-12(8)20-7-21-1 5(14)19/h3-4,6-7,23H,2,5H 2,1H3,(H,22,24)(H2,19,20, 21); WWRQXSNKYPVJOU-UHFFFAOYSA-N |
O=S(=O)(Nc1ccc(F)c(c1F)NC(=O)c2c3ncnc(c3 sc2)N)CCC; CCC[S](=O)(=O)Nc1ccc(F)c(NC(= O)c2csc3c(N)ncnc23)c1F; CCCS(=O)(=O)Nc1c cc(c(c1F)NC(=O)c2csc3c2ncnc3N)F |
4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide |
| 39699 | RI9 CHEMBL2047869 ZINC000084668842 |
2 | C16 H20 F2 N6 O4 S | InChI=1S/C16H20F2N6O4S/c1 -2-7-29(27,28)24-11-4-3-1 0(17)15(14(11)18)23-16(26 )22-13-8-12(19-5-6-25)20- 9-21-13/h3-4,8-9,24-25H,2 ,5-7H2,1H3,(H3,19,20,21,2 2,23,26); RFXIGXFNQUUTSZ-UHFFFAOYSA-N |
O=C(Nc1ncnc(c1)NCCO)Nc2c(F)ccc(NS(=O)(=O )CCC)c2F; CCC[S](=O)(=O)Nc1ccc(F)c(NC(=O )Nc2cc(NCCO)ncn2)c1F; CCCS(=O)(=O)Nc1ccc (c(c1F)NC(=O)Nc2cc(ncn2)NCCO)F |
N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide |
| 39700 | RIA ZINC000058660780 |
2 | C15 H23 N5 O14 P2 | InChI=1S/C15H23N5O14P2/c1 6-12-7-13(18-3-17-12)20(4 -19-7)14-11(9(22)6(32-14) 2-31-36(27,28)29)34-15-10 (23)8(21)5(33-15)1-30-35( 24,25)26/h3-6,8-11,14-15, 21-23H,1-2H2,(H2,16,17,18 )(H2,24,25,26)(H2,27,28,2 9)/t5-,6-,8-,9-,10-,11-,1 4-,15+/m1/s1; BHIWBSNWEZIHHL-ZQSHOCFMSA-N |
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O )[CH](O)[CH]3O[CH]4O[CH](CO[P](O)(O)=O)[ CH](O)[CH]4O; Nc1ncnc2n(cnc12)[C@@H]3O[C @H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O[C@@H] 4O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]4O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O )O)OC4C(C(C(O4)COP(=O)(O)O)O)O)N; c1nc(c 2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3 )COP(=O)(O)O)O)O[C@H]4[C@@H]([C@@H]([C@H ](O4)COP(=O)(O)O)O)O)N; O=P(O)(O)OCC4OC( n1c2ncnc(N)c2nc1)C(OC3OC(C(O)C3O)COP(=O) (O)O)C4O |
2'-O-[(5'-PHOSPHO)RIBOSYL]ADENOSINE-5'-MONOPHOSPHATE |
| 39701 | RIB CHEMBL606078 ZINC000003860714 |
81 | C5 H10 O5 | InChI=1S/C5H10O5/c6-1-2-3 (7)4(8)5(9)10-2/h2-9H,1H2 /t2-,3-,4-,5+/m1/s1; HMFHBZSHGGEWLO-AIHAYLRMSA-N |
C(C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH ](O)[CH]1O; OC[C@H]1O[C@H](O)[C@H](O)[C@ @H]1O; C([C@@H]1[C@H]([C@H]([C@H](O1)O)O )O)O; OC1C(OC(O)C1O)CO |
alpha-D-ribofuranose; alpha-D-ribose; D-ribose; ribose |
| 39702 | RIC DB02030 |
0 | C14 H19 N2 O7 P | InChI=1/C14H19N2O7P/c1-7- 3-9-10(4-8(7)2)16(6-15-9) 14-13(18)12(17)11(23-14)5 -22-24(19,20)21/h3-4,6,11 -14,17-18H,5H2,1-2H3,(H2, 19,20,21)/t11-,12-,13-,14 +/m1/s1/f/h19-20H; ZMRGXEJKZPRBPJ-SZZIEQPWDN |
Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]( [C@H](O3)COP(=O)(O)O)O)O; O=P(O)(O)OCC3O C(n2cnc1cc(c(cc12)C)C)C(O)C3O; Cc1cc2c(c c1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; Cc 1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O) [CH]3O)c2cc1C; Cc1cc2ncn([C@H]3O[C@H](CO [P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C |
PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER |
| 39703 | RID CHEMBL1207385 ZINC000024963177 |
8 | C30 H37 F N2 O7 S | InChI=1S/C30H37FN2O7S/c1- 20(2)28-30(41(38,39)32-14 -16-40-17-15-32)27(21-6-4 -3-5-7-21)29(22-8-10-23(3 1)11-9-22)33(28)13-12-24( 34)18-25(35)19-26(36)37/h 3-11,20,24-25,34-35H,12-1 9H2,1-2H3,(H,36,37)/t24-, 25-/m1/s1; XLVZRBHNHHAPDT-JWQCQUIFSA-N |
CC(C)c1n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c( c2ccc(F)cc2)c(c3ccccc3)c1[S](=O)(=O)N4CC OCC4; CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(= O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4 CCOCC4; O=S(=O)(N1CCOCC1)c4c(c2ccccc2)c( c3ccc(F)cc3)n(c4C(C)C)CCC(O)CC(O)CC(=O)O ; CC(C)c1c(c(c(n1CCC(CC(CC(=O)O)O)O)c2cc c(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4; CC(C )c1n(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F) cc2)c(c3ccccc3)c1[S](=O)(=O)N4CCOCC4 |
(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-4-(morpholin-4-ylsulfonyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid |
| 39704 | RIE CHEMBL1207355 ZINC000014974373 |
8 | C29 H36 F N3 O5 | InChI=1S/C29H36FN3O5/c1-1 8(2)27-25(15-14-23(34)16- 24(35)17-26(36)37)33(22-1 2-10-21(30)11-13-22)31-28 (27)29(38)32(4)19(3)20-8- 6-5-7-9-20/h5-13,18-19,23 -24,34-35H,14-17H2,1-4H3, (H,36,37)/t19-,23-,24-/m1 /s1; MPDDTAJMJCESGV-CTUHWIOQSA-N |
O=C(O)CC(O)CC(O)CCc2c(c(nn2c1ccc(F)cc1)C (=O)N(C(c3ccccc3)C)C)C(C)C; CC(C)c1c(n(n c1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F) CC[C@H](C[C@H](CC(=O)O)O)O; CC(C)c1c(CC[ CH](O)C[CH](O)CC(O)=O)n(nc1C(=O)N(C)[CH] (C)c2ccccc2)c3ccc(F)cc3; CC(C)c1c(n(nc1C (=O)N(C)C(C)c2ccccc2)c3ccc(cc3)F)CCC(CC( CC(=O)O)O)O; CC(C)c1c(CC[C@@H](O)C[C@@H] (O)CC(O)=O)n(nc1C(=O)N(C)[C@H](C)c2ccccc 2)c3ccc(F)cc3 |
(3R,5R)-7-[1-(4-fluorophenyl)-4-(1-methylethyl)-3-{methyl[(1R)-1-phenylethyl]carbamoyl}-1H-pyrazol-5-yl]-3,5-dihydroxyheptanoic acid |
| 39705 | RIF | 1 | C49 H65 N3 O15 | InChI=1S/C49H65N3O15/c1-2 5-12-10-13-26(2)48(61)50- 38-39(52-17-20-63-21-18-5 2)44(59)35-36(43(38)58)42 (57)30(6)46-37(35)47(60)4 9(7,67-46)65-19-15-32(62- 9)27(3)45(29(5)41(56)28(4 )40(25)55)66-34(54)24-64- 33(53)22-31-14-11-16-51(8 )23-31/h10-13,15-16,19,23 ,25,27-29,32,35-36,40-41, 45,55-59H,14,17-18,20-22, 24H2,1-9H3,(H,50,61)/b12- 10+,19-15+,26-13-/t25-,27 +,28+,29+,32-,35?,36+,40- ,41+,45+,49-/m0/s1; CHVBGOATCBIEAJ-XFPQHQHISA-N |
CO[C@H]1\C=C\O[C@@]2(C)OC3=C([C@H]4[C@H] (C(=C3C)O)C(=C(NC(=O)\C(=C/C=C/[C@H](C)[ C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H]( OC(=O)COC(=O)CC5=CN(C)C=CC5)[C@@H]1C)C)C (=C4O)N6CCOCC6)O)C2=O; O=C(OCC(=O)OC5C(C )C(OC)C=COC2(OC=1C(=C(O)C3C(O)=C(C(=C(O) C3C=1C2=O)N4CCOCC4)NC(=O)C(=CC=CC(C)C(O) C(C)C(O)C5C)C)C)C)CC6=CN(C=CC6)C; CC1C=C C=C(C(=O)NC2=C(C3C(C4=C(C(=C3O)C)OC(C4=O )(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)COC(=O )CC5=CN(C=CC5)C)C)OC)C)C(=C2N6CCOCC6)O)O )C; C[C@H]1\C=C\C=C(/C(=O)NC2=C(C3C(C4=C (C(=C3O)C)O[C@@](C4=O)(O\C=C\[C@@H]([C@H ]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O )C)OC(=O)COC(=O)CC5=CN(C=CC5)C)C)OC)C)C( =C2N6CCOCC6)O)O)\C; CO[CH]1C=CO[C]2(C)OC 3=C([CH]4[CH](C(=C3C)O)C(=C(NC(=O)C(=CC= C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH] (OC(=O)COC(=O)CC5=CN(C)C=CC5)[CH]1C)C)C( =C4O)N6CCOCC6)O)C2=O |
RIFAMYCIN CGP 4832 |
| 39706 | RIJ | 2 | C24 H21 Cl N4 O3 | InChI=1S/C24H21ClN4O3/c1- 26-21(30)13-28-12-16-6-7- 17(25)8-19(16)24(14-28)9- 22(31)29(23(24)32)20-11-2 7-10-15-4-2-3-5-18(15)20/ h2-8,10-11H,9,12-14H2,1H3 ,(H,26,30)/t24-/m1/s1; UQYRJVFIAXFIFV-XMMPIXPASA-N |
CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CC(=O)N(C3= O)c4cncc5c4cccc5)Cl; CNC(=O)CN1Cc2ccc(Cl )cc2[C]3(C1)CC(=O)N(C3=O)c4cncc5ccccc45; CNC(=O)CN1Cc2ccc(Cl)cc2C2(CC(=O)N(C2=O) c2cncc3ccccc32)C1; CNC(=O)CN1Cc2ccc(cc2C 3(C1)CC(=O)N(C3=O)c4cncc5c4cccc5)Cl; CNC (=O)CN1Cc2ccc(Cl)cc2[C@]3(C1)CC(=O)N(C3= O)c4cncc5ccccc45 |
2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide |
| 39707 | RIK | 1 | C17 H17 F N4 O3 | InChI=1S/C17H17FN4O3/c18- 10-1-3-12-13(7-10)21-16-1 5(12)17(20-9-19-16)22-5-6 -25-11(8-22)2-4-14(23)24/ h1,3,7,9,11H,2,4-6,8H2,(H ,23,24)(H,19,20,21)/t11-/ m1/s1; USMUUUCYHOVMGT-LLVKDONJSA-N |
O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3 c12; OC(=O)CC[CH]1CN(CCO1)c2ncnc3[nH]c4c c(F)ccc4c23; OC(=O)CC[C@@H]1CN(CCO1)c2nc nc3[nH]c4cc(F)ccc4c23; c1cc2c(cc1F)[nH]c 3c2c(ncn3)N4CCO[C@@H](C4)CCC(=O)O; c1cc2 c(cc1F)[nH]c3c2c(ncn3)N4CCOC(C4)CCC(=O)O |
3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid |
| 39708 | RIL DB08475 ZINC000033821503 |
2 | C12 H23 O5 P | InChI=1S/C12H23O5P/c1-4-5 -6-7-8-18(13,14)16-10-11- 9-15-12(2,3)17-11/h4,11H, 1,5-10H2,2-3H3,(H,13,14)/ t11-/m0/s1; BUTLRPVAJSANIT-NSHDSACASA-N |
CC1(C)OC[C@@H](CO[P@](O)(=O)CCCCC=C)O1; CC1(OC[C@H](O1)CO[P@](=O)(CCCCC=C)O)C; C C1(C)OC[CH](CO[P](O)(=O)CCCCC=C)O1; O=P( OCC1OC(OC1)(C)C)(O)CCCC\C=C; CC1(OCC(O1) COP(=O)(CCCCC=C)O)C |
[(4R)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL]METHYL HYDROGEN HEX-5-ENYLPHOSPHONATE; O-[(R)-1,2,-O-ISOPROPYLIDENE-SN-GLYCEROL]6-HEXENYL PHOSPHONATE; O-[(R)-IPG] 6-HEXENYL PHOSPHONATE |
| 39709 | RIM | 2 | C12 H21 N | InChI=1S/C12H21N/c1-8(13) 12-5-9-2-10(6-12)4-11(3-9 )7-12/h8-11H,2-7,13H2,1H3 /t8-,9-,10+,11-,12-/m1/s1; UBCHPRBFMUDMNC-RMPHRYRLSA-N |
C[CH](N)C12CC3CC(CC(C3)C1)C2; NC(C)C13CC 2CC(CC(C1)C2)C3; C[C@H](C12CC3CC(C1)CC(C 3)C2)N; C[C@@H](N)C12CC3CC(CC(C3)C1)C2; CC(C12CC3CC(C1)CC(C3)C2)N |
RIMANTADINE; 1-(1-ADAMANTYL)ETHANAMINE |
| 39710 | RIN DB08476 ZINC000005840837 |
2 | C12 H24 N2 O | InChI=1S/C12H24N2O/c13-11 -9-7-5-3-1-2-4-6-8-10-14- 12(11)15/h11H,1-10,13H2,( H,14,15)/t11-/m0/s1; CQZLEYBEPASILI-NSHDSACASA-N |
O=C1NCCCCCCCCCCC1N; N[C@H]1CCCCCCCCCCNC1 =O; C1CCCCCNC(=O)C(CCCC1)N; N[CH]1CCCCCC CCCCNC1=O; C1CCCCCNC(=O)[C@H](CCCC1)N |
3-AMINO-AZACYCLOTRIDECAN-2-ONE |
| 39711 | RIO CHEMBL221572 DB03615 ZINC000053255716 |
27 | C17 H34 N4 O10 | InChI=1S/C17H34N4O10/c18- 2-6-10(24)12(26)8(21)16(2 8-6)30-14-5(20)1-4(19)9(2 3)15(14)31-17-13(27)11(25 )7(3-22)29-17/h4-17,22-27 H,1-3,18-21H2/t4-,5+,6-,7 -,8-,9+,10-,11-,12-,13-,1 4-,15-,16-,17+/m1/s1; NSKGQURZWSPSBC-VVPCINPTSA-N |
O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O) C3OC(C(O)C3O)CO; C1C(C(C(C(C1N)OC2C(C(C( C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N; C1 [C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H ]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N) O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N ; NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH] (O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH]3O)[CH ](N)[CH](O)[CH]1O; NC[C@H]1O[C@H](O[C@@H ]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@ H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C @@H](O)[C@@H]1O |
RIBOSTAMYCIN; 5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY ]-TETRAHYDRO-PYRAN-3,4-DIOL; (1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside |
| 39712 | RIP CHEMBL1159662 DB04286 ZINC000004097544 |
44 | C5 H10 O5 | InChI=1S/C5H10O5/c6-2-1-1 0-5(9)4(8)3(2)7/h2-9H,1H2 /t2-,3-,4-,5-/m1/s1; SRBFZHDQGSBBOR-TXICZTDVSA-N |
C1C(C(C(C(O1)O)O)O)O; C1[C@H]([C@H]([C@H ]([C@@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH] (O)[CH]1O; O[C@@H]1CO[C@@H](O)[C@H](O)[C @@H]1O; OC1C(O)COC(O)C1O |
beta-D-ribopyranose; beta-D-ribose; D-ribose; ribose; RIBOSE(PYRANOSE FORM) |
| 39713 | RIQ CHEMBL5397552 |
1 | C10 H9 Cl2 N O | InChI=1S/C10H9Cl2NO/c1-6( 14)13-5-4-7-9(13)3-2-8(11 )10(7)12/h2-3H,4-5H2,1H3; FSLARAPYXMNEFP-UHFFFAOYSA-N |
CC(=O)N1CCc2c1ccc(c2Cl)Cl; CC(=O)N1CCc2c (Cl)c(Cl)ccc12 |
1-[4,5-bis(chloranyl)-2,3-dihydroindol-1-yl]ethanone |
| 39714 | RIR | 2 | C10 H15 Ir | InChI=1S/C10H15.Ir/c1-6-7 (2)9(4)10(5)8(6)3;/h1-5H3 ;; VPSULBJUKFCKKU-UHFFFAOYSA-N |
CC12=C3([Ir]145C2(=C4(C53C)C)C)C; [Ir]12 34C5(=C1(C2(C3(=C45C)C)C)C)C; CC1=C(C)C( C)([Ir])C(=C1C)C |
[(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(III) |
| 39715 | RIS CHEMBL923 DB00884 ZINC000001531009 |
23 | C7 H11 N O7 P2 | InChI=1S/C7H11NO7P2/c9-7( 16(10,11)12,17(13,14)15)4 -6-2-1-3-8-5-6/h1-3,5,9H, 4H2,(H2,10,11,12)(H2,13,1 4,15); IIDJRNMFWXDHID-UHFFFAOYSA-N |
OC(Cc1cccnc1)([P](O)(O)=O)[P](O)(O)=O; O =P(O)(O)C(O)(P(=O)(O)O)Cc1cccnc1; c1cc(c nc1)CC(O)(P(=O)(O)O)P(=O)(O)O |
1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID; Risedronate |
| 39716 | RIT CHEMBL163 DB00503 ZINC000003944422 |
36 | C37 H48 N6 O5 S2 | InChI=1S/C37H48N6O5S2/c1- 24(2)33(42-36(46)43(5)20- 29-22-49-35(40-29)25(3)4) 34(45)39-28(16-26-12-8-6- 9-13-26)18-32(44)31(17-27 -14-10-7-11-15-27)41-37(4 7)48-21-30-19-38-23-50-30 /h6-15,19,22-25,28,31-33, 44H,16-18,20-21H2,1-5H3,( H,39,45)(H,41,47)(H,42,46 )/t28-,31-,32-,33-/m0/s1; NCDNCNXCDXHOMX-XGKFQTDJSA-N |
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C( =O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3cc ccc3)NC(=O)OCc4cncs4)O; CC(C)c1nc(cs1)CN (C)C(=O)NC(C(C)C)C(=O)NC(Cc2ccccc2)CC(C( Cc3ccccc3)NC(=O)OCc4cncs4)O; CC(C)[CH](N C(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[CH](C[CH ](O)[CH](Cc2ccccc2)NC(=O)OCc3scnc3)Cc4cc ccc4; CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C )C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2) NC(=O)OCc3scnc3)Cc4ccccc4; O=C(OCc1scnc1 )NC(Cc2ccccc2)C(O)CC(NC(=O)C(NC(=O)N(Cc3 nc(sc3)C(C)C)C)C(C)C)Cc4ccccc4 |
RITONAVIR; A-84538 |
| 39717 | RIU | 2 | C21 H22 Cl N3 O2 | InChI=1S/C21H22ClN3O2/c1- 25(2)8-9-27-18-7-6-16-13- 23-14-20(19(16)12-18)24-2 1(26)11-15-4-3-5-17(22)10 -15/h3-7,10,12-14H,8-9,11 H2,1-2H3,(H,24,26); XNJZKRXHKUJCAT-UHFFFAOYSA-N |
CN(C)CCOc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c 2c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21) OCCN(C)C; CN(C)CCOc1ccc2cncc(c2c1)NC(=O) Cc3cccc(c3)Cl |
2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide |
| 39718 | RIV CHEMBL198362 DB06228 ZINC000003964126 |
2 | C19 H18 Cl N3 O5 S | InChI=1S/C19H18ClN3O5S/c2 0-16-6-5-15(29-16)18(25)2 1-9-14-10-23(19(26)28-14) 13-3-1-12(2-4-13)22-7-8-2 7-11-17(22)24/h1-6,14H,7- 11H2,(H,21,25)/t14-/m0/s1; KGFYHTZWPPHNLQ-AWEZNQCLSA-N |
c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC( =O)c4ccc(s4)Cl; Clc1sc(cc1)C(=O)NC[C@H]2 CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O; O=C(NCC 3OC(=O)N(c2ccc(N1C(=O)COCC1)cc2)C3)c4sc( Cl)cc4; c1cc(ccc1N2CCOCC2=O)N3CC(OC3=O)C NC(=O)c4ccc(s4)Cl; Clc1sc(cc1)C(=O)NC[CH ]2CN(C(=O)O2)c3ccc(cc3)N4CCOCC4=O |
5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide; Rivaroxaban |
| 39719 | RIW | 1 | C14 H12 F N5 O | InChI=1S/C14H12FN5O/c15-8 -3-4-9-10(6-8)18-13-12(9) 14(17-7-16-13)19-20-5-1-2 -11(20)21/h3-4,6-7H,1-2,5 H2,(H2,16,17,18,19); NFUGNDSRCURWKQ-UHFFFAOYSA-N |
Fc1ccc2c([nH]c3ncnc(NN4CCCC4=O)c23)c1; c 1cc2c(cc1F)[nH]c3c2c(ncn3)NN4CCCC4=O; Fc 1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O |
1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one |
| 39720 | RIX | 1 | C11 H8 Cl N O3 | InChI=1S/C11H8ClNO3/c1-16 -11(15)10(14)13-6-5-7-8(1 2)3-2-4-9(7)13/h2-6H,1H3; QRAIXQAFCRLHNQ-UHFFFAOYSA-N |
COC(=O)C(=O)n1ccc2c1cccc2Cl; COC(=O)C(=O )n1ccc2c(Cl)cccc12 |
methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
| 39721 | RIY | 2 | C21 H21 Cl N4 O3 S | InChI=1S/C21H21ClN4O3S/c1 -2-24-30(28,29)26-12-15-7 -8-16(22)9-18(15)19(13-26 )21(27)25-20-11-23-10-14- 5-3-4-6-17(14)20/h3-11,19 ,24H,2,12-13H2,1H3,(H,25, 27)/t19-/m1/s1; BOQXHOIRFSIWNF-LJQANCHMSA-N |
CCN[S](=O)(=O)N1C[C@@H](C(=O)Nc2cncc3ccc cc23)c4cc(Cl)ccc4C1; CCNS(=O)(=O)N1Cc2cc c(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl; CCN[S ](=O)(=O)N1C[CH](C(=O)Nc2cncc3ccccc23)c4 cc(Cl)ccc4C1; CCNS(=O)(=O)N1Cc2ccc(Cl)cc 2C(C1)C(=O)Nc1cncc2ccccc21; CCNS(=O)(=O) N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc c4)Cl |
(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39722 | RIZ | 1 | C17 H17 F N4 O2 | InChI=1S/C17H17FN4O2/c18- 9-5-6-10-13(7-9)22-16-14( 10)15(19-8-20-16)21-12-4- 2-1-3-11(12)17(23)24/h5-8 ,11-12H,1-4H2,(H,23,24)(H 2,19,20,21,22)/t11-,12+/m 1/s1; VLGDVQRYEOXYDY-NEPJUHHUSA-N |
c1cc2c(cc1F)[nH]c3c2c(ncn3)N[C@H]4CCCC[C @H]4C(=O)O; O=C(O)C1CCCCC1Nc1ncnc2[NH]c3 cc(F)ccc3c12; c1cc2c(cc1F)[nH]c3c2c(ncn3 )NC4CCCCC4C(=O)O; OC(=O)[C@@H]1CCCC[C@@H ]1Nc2ncnc3[nH]c4cc(F)ccc4c23; OC(=O)[CH] 1CCCC[CH]1Nc2ncnc3[nH]c4cc(F)ccc4c23 |
(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid |
| 39723 | RJ0 CHEMBL4570581 ZINC000036334122 |
1 | C11 H11 N O | InChI=1S/C11H11NO/c1-2-11 (13)12-8-7-9-5-3-4-6-10(9 )12/h2-6H,1,7-8H2; MBODXUXQQPORNR-UHFFFAOYSA-N |
C=CC(=O)N1CCc2ccccc12; C=CC(=O)N1CCc2c1c ccc2 |
1-(2,3-dihydroindol-1-yl)prop-2-en-1-one |
| 39724 | RJ1 CHEMBL219484 DB08478 ZINC000000073041 |
2 | C9 H9 Cl F3 N5 | InChI=1S/C9H9ClF3N5/c10-5 -2-1-4(9(11,12)13)3-6(5)1 7-8(16)18-7(14)15/h1-3H,( H6,14,15,16,17,18); IGFTZEOFHWPCDL-UHFFFAOYSA-N |
NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F; [H]/N =C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F ; [H]N=C(N)NC(=N[H])Nc1cc(ccc1Cl)C(F)(F) F; Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F) (F)F |
N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide; 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene |
| 39725 | RJ2 CHEMBL5085033 |
1 | C17 H17 N3 O | InChI=1S/C17H17N3O/c1-2-1 6-15(4-10-21-16)11-13(1)1 4-3-5-19-17(12-14)20-8-6- 18-7-9-20/h1-5,10-12,18H, 6-9H2; BRUNUGURQIJSRJ-UHFFFAOYSA-N |
C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3; c1cc2 c(cco2)cc1c3ccnc(c3)N4CCNCC4 |
1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine |
| 39726 | RJ3 | 2 | C18 H13 Cl N2 O3 | InChI=1S/C18H13ClN2O3/c19 -14-3-1-2-11(6-14)7-17(22 )21-16-10-20-9-13-8-12(18 (23)24)4-5-15(13)16/h1-6, 8-10H,7H2,(H,21,22)(H,23, 24); OOJDKYAMUUAETB-UHFFFAOYSA-N |
Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc21)C(=O) O; c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2ccc(c3) C(=O)O; OC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c 3)cncc2c1 |
4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid |
| 39727 | RJ4 | 2 | C11 H13 N3 O2 | InChI=1S/C11H13N3O2/c15-6 -14-3-7-1-9-10-8(12-5-13- 10)2-11(7,4-14)16-9/h5-7, 9H,1-4H2,(H,12,13)/t7-,9- ,11+/m1/s1; XRNLVBAEYBLIIG-ZOFUNIGCSA-N |
O=CN1C[C@H]2C[C@H]3O[C@]2(C1)Cc4[nH]cnc3 4; c1[nH]c2c(n1)[C@H]3C[C@@H]4CN(C[C@]4( C2)O3)C=O; c1[nH]c2c(n1)C3CC4CN(CC4(C2)O 3)C=O; O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH] cnc34 |
(4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde |
| 39728 | RJ5 CHEMBL5075137 |
1 | C12 H12 N2 O | InChI=1S/C12H12N2O/c1-15- 11-4-2-9(3-5-11)10-6-7-14 -12(13)8-10/h2-8H,1H3,(H2 ,13,14); PGBMTNNEAWCSJZ-UHFFFAOYSA-N |
COc1ccc(cc1)c2ccnc(c2)N; COc1ccc(cc1)c2c cnc(N)c2 |
4-(4-methoxyphenyl)pyridin-2-amine |
| 39729 | RJ6 CHEMBL1235693 DB08479 ZINC000015924296 |
2 | C10 H15 N5 O2 | InChI=1S/C10H15N5O2/c1-16 -7-3-6(4-8(5-7)17-2)14-10 (13)15-9(11)12/h3-5H,1-2H 3,(H6,11,12,13,14,15); VQKIGKHIRBCYNE-UHFFFAOYSA-N |
[H]/N=C(\N)/N/C(=N/[H])/Nc1cc(cc(c1)OC)O C; COc1cc(NC(=N)NC(N)=N)cc(OC)c1; O(c1cc (cc(OC)c1)NC(=[N@H])NC(=[N@H])N)C; [H]N= C(N)NC(=N[H])Nc1cc(cc(c1)OC)OC |
N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamide; {[(3,5-dimethoxyanilino)(imino)methyl]amino}methanimidamide |
| 39730 | RJ7 | 2 | C10 H12 F N O3 | InChI=1S/C10H12FNO3/c1-2- 15-10(14)8(11)9(13)7-4-3- 5-12-6-7/h3-6,8-9,13H,2H2 ,1H3/t8-,9-/m0/s1; WQTYAHVCEJEKSU-IUCAKERBSA-N |
CCOC(=O)C(C(c1cccnc1)O)F; CCOC(=O)[C@@H] (F)[C@@H](O)c1cccnc1; CCOC(=O)[CH](F)[CH ](O)c1cccnc1; c1(cnccc1)C(C(C(OCC)=O)F)O ; CCOC(=O)[C@H]([C@H](c1cccnc1)O)F |
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate |
| 39731 | RJ8 CHEMBL5083053 |
1 | C13 H10 N2 O | InChI=1S/C13H10N2O/c14-13 -8-10(3-5-15-13)9-1-2-12- 11(7-9)4-6-16-12/h1-8H,(H 2,14,15); AESBNYUOPVLZJY-UHFFFAOYSA-N |
Nc1cc(ccn1)c2ccc3occc3c2; c1cc2c(cco2)cc 1c3ccnc(c3)N |
4-(1-benzofuran-5-yl)pyridin-2-amine |
| 39732 | RJ9 | 1 | C17 H17 F N4 O2 | InChI=1S/C17H17FN4O2/c18- 9-5-6-10-13(7-9)22-16-14( 10)15(19-8-20-16)21-12-4- 2-1-3-11(12)17(23)24/h5-8 ,11-12H,1-4H2,(H,23,24)(H 2,19,20,21,22)/t11-,12+/m 0/s1; VLGDVQRYEOXYDY-NWDGAFQWSA-N |
O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12 ; c1cc2c(cc1F)[nH]c3c2c(ncn3)NC4CCCCC4C( =O)O; OC(=O)[CH]1CCCC[CH]1Nc2ncnc3[nH]c4 cc(F)ccc4c23; OC(=O)[C@H]1CCCC[C@H]1Nc2n cnc3[nH]c4cc(F)ccc4c23; c1cc2c(cc1F)[nH] c3c2c(ncn3)N[C@@H]4CCCC[C@@H]4C(=O)O |
(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid |
| 39733 | RJA ZINC000095920529 |
2 | C28 H44 O6 | InChI=1S/C28H44O6/c1-6-9- 26-22(5)25(31)18-27(34-26 )24(30)12-7-10-19(2)16-21 (4)17-20(3)14-15-23(29)11 -8-13-28(32)33/h6-7,9-10, 12,14-15,17,21-27,29-31H, 8,11,13,16,18H2,1-5H3,(H, 32,33)/b9-6+,12-7+,15-14+ ,19-10+,20-17-/t21-,22+,2 3-,24-,25-,26+,27-/m1/s1; SSWVBXXPYARFKL-PUAIALDQSA-N |
O=C(O)CCCC(O)/C=C/C(=C\C(C)CC(=C\C=C\C(O )C1OC(/C=C/C)C(C(O)C1)C)\C)C; CC=CC1C(C( CC(O1)C(C=CC=C(C)CC(C)C=C(C)C=CC(CCCC(=O )O)O)O)O)C; C/C=C/[C@H]1[C@H]([C@@H](C[C @@H](O1)[C@@H](/C=C/C=C(\C)/C[C@@H](C)/C =C(/C)\C=C\[C@@H](CCCC(=O)O)O)O)O)C; CC= C[CH]1O[CH](C[CH](O)[CH]1C)[CH](O)C=CC=C (C)C[CH](C)C=C(C)C=C[CH](O)CCCC(O)=O; C\ C=C\[C@@H]1O[C@H](C[C@@H](O)[C@@H]1C)[C@ H](O)/C=C/C=C(C)/C[C@@H](C)/C=C(C)\C=C\[ C@H](O)CCCC(O)=O |
Ratjadone A, bound form |
| 39734 | RJB CHEMBL4776002 |
1 | C20 H18 N2 O3 S | InChI=1S/C20H18N2O3S/c23- 18(24)11-20(9-13-5-1-2-6- 14(13)10-20)19(25)21-12-1 7-22-15-7-3-4-8-16(15)26- 17/h1-8H,9-12H2,(H,21,25) (H,23,24); OYMIHDNBNWVHIU-UHFFFAOYSA-N |
OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4 n3; c1ccc2c(c1)CC(C2)(CC(=O)O)C(=O)NCc3n c4ccccc4s3 |
2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid |
| 39735 | RJC | 2 | C32 H49 F N2 O5 S | InChI=1S/C32H49FN2O5S/c1- 5-21-27-28(33)25(36)14-17 -32(27,4)24-13-16-31(3)22 (11-12-23(31)26(24)29(21) 37)19(2)15-18-34-30(38)35 -41(39,40)20-9-7-6-8-10-2 0/h6-10,19,21-29,36-37H,5 ,11-18H2,1-4H3,(H2,34,35, 38)/t19-,21-,22-,23+,24+, 25-,26+,27-,28+,29-,31-,3 2-/m1/s1; QVNPKOJFMSHZPJ-PTJGPXMYSA-N |
CCC1C2C(C(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CC NC(=O)NS(=O)(=O)c5ccccc5)C)C)O)F; CC[CH] 1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCNC(=O) N[S](=O)(=O)c4ccccc4)[C]3(C)CC[CH]2[C]5( C)CC[CH](O)[CH](F)[CH]15; CC[C@@H]1[C@@H ]2[C@H]([C@@H](CC[C@@]2([C@H]3CC[C@]4([C @H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCN C(=O)NS(=O)(=O)c5ccccc5)C)C)O)F; CC[C@H] 1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C CNC(=O)N[S](=O)(=O)c4ccccc4)[C@@]3(C)CC[ C@@H]2[C@@]5(C)CC[C@@H](O)[C@H](F)[C@@H] 15 |
1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea |
| 39736 | RJD | 1 | C15 H26 N4 O2 | InChI=1S/C15H26N4O2/c1-10 -7-17-15(2,13(20)18-12-5- 6-12)9-19(10)14(21)16-8-1 1-3-4-11/h10-12,17H,3-9H2 ,1-2H3,(H,16,21)(H,18,20) /t10-,15-/m0/s1; SXNUQDJHCXDWNX-BONVTDFDSA-N |
C[CH]1CN[C](C)(CN1C(=O)NCC2CC2)C(=O)NC3C C3; CC1CNC(CN1C(=O)NCC2CC2)(C)C(=O)NC3CC 3; C[C@H]1CN[C@](CN1C(=O)NCC2CC2)(C)C(=O )NC3CC3; C[C@H]1CN[C@@](C)(CN1C(=O)NCC2C C2)C(=O)NC3CC3; C1(CC1)NC(C3(CN(C(NCC2CC 2)=O)C(C)CN3)C)=O |
(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide |
| 39737 | RJE CHEMBL4763327 ZINC000584905652 |
3 | C16 H19 N5 O3 | InChI=1S/C16H19N5O3/c1-17 -13-12-14(20-15(19-13)24- 9-8-23-2)21(16(22)18-12)1 0-11-6-4-3-5-7-11/h3-7H,8 -10H2,1-2H3,(H,18,22)(H,1 7,19,20); OSILWVXKFRDCIL-UHFFFAOYSA-N |
CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3; CNc1nc(OCCOC)nc2N(Cc3ccccc3)C(=O)Nc12 |
2-(2-methoxyethoxy)-6-(methylamino)-9-(phenylmethyl)-7H-purin-8-one |
| 39738 | RJF | 2 | C23 H21 Cl N4 O3 | InChI=1S/C23H21ClN4O3/c1- 13-4-3-5-14-9-26-10-19(21 (13)14)27-22(30)18-11-28( 12-20(29)25-2)23(31)16-7- 6-15(24)8-17(16)18/h3-10, 18H,11-12H2,1-2H3,(H,25,2 9)(H,27,30)/t18-/m1/s1; SCCMCXOVZPXNKG-GOSISDBHSA-N |
Cc1cccc2cncc(NC(=O)C3CN(CC(=O)NC)C(=O)c4 ccc(Cl)cc43)c12; Cc1cccc2c1c(cnc2)NC(=O) C3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC; CNC(=O )CN1C[C@@H](C(=O)Nc2cncc3cccc(C)c23)c4cc (Cl)ccc4C1=O; Cc1cccc2c1c(cnc2)NC(=O)[C@ @H]3CN(C(=O)c4c3cc(cc4)Cl)CC(=O)NC; CNC( =O)CN1C[CH](C(=O)Nc2cncc3cccc(C)c23)c4cc (Cl)ccc4C1=O |
(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39739 | RJG | 1 | C16 H18 N2 O | InChI=1S/C16H18N2O/c19-15 -6-13-12-4-2-1-3-10(12)8- 18-14(13)5-11-7-17-9-16(1 1,15)18/h1-4,11,13-14,17H ,5-9H2/t11-,13-,14-,16+/m 1/s1; JTERCRHEKKZOFH-MEWXFMAXSA-N |
O=C1C[C@H]2[C@H]3C[C@@H]4CNC[C@@]14[N@]3 Cc5ccccc25; N13C5CC2CNCC12C(CC5c4c(C3)cc cc4)=O; c1ccc2c(c1)CN3C4C2CC(=O)C35CNCC5 C4; O=C1C[CH]2[CH]3C[CH]4CNC[C]14[N]3Cc5 ccccc25; c1ccc2c(c1)C[N@]3[C@H]4[C@@H]2C C(=O)[C@@]35CNC[C@H]5C4 |
(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one |
| 39740 | RJH | 1 | C21 H25 Cl N6 O4 | InChI=1S/C21H25ClN6O4/c1- 13-8-19-23-10-17(25-21(29 )24-14-4-5-18(31-3)16(22) 9-14)20(28(19)26-13)27-6- 7-32-12-15(27)11-30-2/h4- 5,8-10,15H,6-7,11-12H2,1- 3H3,(H2,24,25,29)/t15-/m0 /s1; IUORVTKNCDNHNC-HNNXBMFYSA-N |
Cc1cc2ncc(c(n2n1)N3CCOC[C@@H]3COC)NC(=O) Nc4ccc(c(c4)Cl)OC; COC[C@H]1COCCN1c2n3nc (C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4; COC[C H]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC )c(Cl)c4; Cc1cc2ncc(c(n2n1)N3CCOCC3COC)N C(=O)Nc4ccc(c(c4)Cl)OC |
1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
| 39741 | RJI ZINC000584905653 |
1 | C11 H9 N3 O4 | InChI=1S/C11H9N3O4/c12-8( 15)7-9(16)13-11(18)14(10( 7)17)6-4-2-1-3-5-6/h1-5,7 H,(H2,12,15)(H,13,16,18)/ t7-/m0/s1; QCWWLBLYOGYJRV-ZETCQYMHSA-N |
c1ccc(cc1)N2C(=O)C(C(=O)NC2=O)C(=O)N; NC (=O)[CH]1C(=O)NC(=O)N(C1=O)c2ccccc2; c1c cc(cc1)N2C(=O)[C@H](C(=O)NC2=O)C(=O)N; N C(=O)[C@H]1C(=O)NC(=O)N(C1=O)c2ccccc2 |
2,4,6-TRIOXO-1-PHENYL-HEXAHYDROPYRIMIDINE-5-CARBOXAMIDE |
| 39742 | RJJ | 1 | C16 H25 N3 O | InChI=1S/C16H25N3O/c1-3-1 6(9-11-19(2)12-10-18-16)1 5(20)17-13-14-7-5-4-6-8-1 4/h4-8,18H,3,9-13H2,1-2H3 ,(H,17,20)/t16-/m1/s1; HCTANGJAFMIUKA-MRXNPFEDSA-N |
CCC1(CCN(CCN1)C)C(=O)NCc2ccccc2; CC[C]1( CCN(C)CCN1)C(=O)NCc2ccccc2; c1cc(ccc1)CN C(C2(CC)CCN(C)CCN2)=O; CC[C@@]1(CCN(C)CC N1)C(=O)NCc2ccccc2; CC[C@@]1(CCN(CCN1)C) C(=O)NCc2ccccc2 |
(5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide |
| 39743 | RJK | 2 | C20 H19 Br Cl N5 O2 | InChI=1S/C20H19BrClN5O2/c 21-14-1-4-19-13(5-14)6-16 (11-29-19)26-20(28)25-15- 2-3-18(17(22)7-15)27-10-1 2(8-23)9-24-27/h1-5,7,9-1 0,16H,6,8,11,23H2,(H2,25, 26,28)/t16-/m1/s1; DHIWXRKMNHPISE-MRXNPFEDSA-N |
c1cc(c(cc1NC(=O)NC2Cc3cc(ccc3OC2)Br)Cl)n 4cc(cn4)CN; c1cc(c(cc1NC(=O)N[C@@H]2Cc3c c(ccc3OC2)Br)Cl)n4cc(cn4)CN; NCc1cnn(c1) c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl ; NCc1cnn(c1)c2ccc(NC(=O)N[C@H]3COc4ccc( Br)cc4C3)cc2Cl |
1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea |
| 39744 | RJL | 1 | C15 H16 N4 O4 | InChI=1S/C15H16N4O4/c1-23 -11-7-10(8-16-9-11)14(21) 18-5-6-19-15(22)13-12(20) 3-2-4-17-13/h2-4,7-9,20H, 5-6H2,1H3,(H,18,21)(H,19, 22); YVVRFBXSKUTJJG-UHFFFAOYSA-N |
COc1cc(cnc1)C(=O)NCCNC(=O)c2c(cccn2)O; C Oc1cncc(c1)C(=O)NCCNC(=O)c2ncccc2O; Oc1c ccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1 |
3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide |
| 39745 | RJM | 1 | C19 H19 N O3 | InChI=1S/C19H19NO3/c1-19( 2)15(16(19)18(22)23)17(21 )20-14-11-7-6-10-13(14)12 -8-4-3-5-9-12/h3-11,15-16 H,1-2H3,(H,20,21)(H,22,23 )/t15-,16+/m0/s1; WZVGLQFDUFVSTL-JKSUJKDBSA-N |
O=C(Nc1ccccc1c1ccccc1)C1C(C(O)=O)C1(C)C; CC1(C(C1C(=O)O)C(=O)Nc2ccccc2c3ccccc3)C ; CC1([C@@H]([C@@H]1C(=O)O)C(=O)Nc2ccccc 2c3ccccc3)C; CC1(C)[CH]([CH]1C(=O)Nc2ccc cc2c3ccccc3)C(O)=O; CC1(C)[C@H]([C@H]1C( =O)Nc2ccccc2c3ccccc3)C(O)=O |
(1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid |
| 39746 | RJN CHEMBL3828579 ZINC000584905654 |
2 | C23 H19 N3 O3 | InChI=1S/C23H19N3O3/c27-2 2-19-8-4-5-9-20(19)25-21( 26-22)18-12-10-16(11-13-1 8)14-24-23(28)29-15-17-6- 2-1-3-7-17/h1-13H,14-15H2 ,(H,24,28)(H,25,26,27); SAIBPCDKEKGITF-UHFFFAOYSA-N |
c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc 4C(=O)N3; O=C(NCc1ccc(cc1)C2=Nc3ccccc3C( =O)N2)OCc4ccccc4 |
BENZYL N-{[4-(4-OXO-3,4-DIHYDROQUINAZOLIN-2-YL)PHENYL]METHYL}CARBAMATE |
| 39747 | RJO | 2 | C22 H18 Cl F N4 O3 | InChI=1S/C22H18ClFN4O3/c1 -25-20(29)11-28-10-18(17- 6-13(23)3-5-15(17)22(28)3 1)21(30)27-19-9-26-8-12-2 -4-14(24)7-16(12)19/h2-9, 18H,10-11H2,1H3,(H,25,29) (H,27,30)/t18-/m1/s1; ZCROYMPHCXUWGH-GOSISDBHSA-N |
CNC(=O)CN1CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cn cc4c3cc(cc4)F; CNC(=O)CN1C[CH](C(=O)Nc2c ncc3ccc(F)cc23)c4cc(Cl)ccc4C1=O; CNC(=O) CN1C[C@@H](C(=O)Nc2cncc3ccc(F)cc23)c4cc( Cl)ccc4C1=O; CNC(=O)CN1C[C@H](c2cc(ccc2C 1=O)Cl)C(=O)Nc3cncc4c3cc(cc4)F; Fc1cc2c( cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc( Cl)cc21 |
(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| 39748 | RJP ZINC000066167003 |
48 | C16 H17 N O6 | InChI=1S/C16H17NO6/c18-12 -9-16(23,15(21)22)8-10(14 (12)20)6-7-13(19)17-11-4- 2-1-3-5-11/h1-5,8,12,18,2 3H,6-7,9H2,(H,17,19)(H,21 ,22)/t12-,16+/m1/s1; LCRSMARNUPCDAZ-WBMJQRKESA-N |
c1ccc(cc1)NC(=O)CCC2=CC(CC(C2=O)O)(C(=O) O)O; c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C 2=O)O)(C(=O)O)O; O[C@@H]1C[C@@](O)(C=C(C CC(=O)Nc2ccccc2)C1=O)C(O)=O; O=C(O)C1(O) C=C(C(=O)C(O)C1)CCC(=O)Nc2ccccc2; O[CH]1 C[C](O)(C=C(CCC(=O)Nc2ccccc2)C1=O)C(O)=O |
(1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid |
| 39749 | RJQ | 2 | C35 H41 Cl N6 O6 | InChI=1S/C35H41ClN6O6/c1- 20(43)38-26(19-22-5-2-3-6 -25(22)36)31(45)40-17-4-1 5-35(40)16-13-24-10-12-28 (42(24)34(35)48)32(46)39- 18-14-21-7-8-23-9-11-27(3 0(37)44)41(23)33(47)29(21 )39/h2-3,5-8,13,16,21,23- 24,26-29H,4,9-12,14-15,17 -19H2,1H3,(H2,37,44)(H,38 ,43)/t21-,23-,24-,26-,27- ,28-,29-,35+/m0/s1; ITMFJTSTZSWDEK-QHVDBZGRSA-N |
CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@] 23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@@ H]6C=C[C@H]7CC[C@H](N7C(=O)[C@@H]56)C(N) =O; CC(=O)N[CH](Cc1ccccc1Cl)C(=O)N2CCC[C ]23C=C[CH]4CC[CH](N4C3=O)C(=O)N5CC[CH]6C =C[CH]7CC[CH](N7C(=O)[CH]56)C(N)=O; CC(= O)NC(Cc1ccccc1Cl)C(=O)N2CCCC23C=CC4CCC(N 4C3=O)C(=O)N5CCC6C5C(=O)N7C(CCC7C(=O)N)C =C6; CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CC C[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5C C[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N )C=C6 |
(3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxamide |
| 39750 | RJR | 2 | C23 H37 N3 O5 | InChI=1S/C23H37N3O5/c27-1 9-7-20(28)22(30)21(29)18( 19)12-26-11-17(24-25-26)2 -1-3-31-13-23-8-14-4-15(9 -23)6-16(5-14)10-23/h11,1 4-16,18-22,27-30H,1-10,12 -13H2/t14-,15+,16-,18-,19 -,20-,21+,22+,23-/m0/s1; SADPKFATELTVOP-HXOWLEFZSA-N |
c1c(nnn1CC2C(CC(C(C2O)O)O)O)CCCOCC34CC5C C(C3)CC(C5)C4; O[C@H]1C[C@H](O)[C@H](Cn2 cc(CCCOCC34CC5CC(CC(C5)C3)C4)nn2)[C@@H]( O)[C@@H]1O; O[CH]1C[CH](O)[CH](Cn2cc(CCC OCC34CC5CC(CC(C5)C3)C4)nn2)[CH](O)[CH]1O ; c1c(nnn1C[C@H]2[C@H](C[C@@H]([C@H]([C@ @H]2O)O)O)O)CCCOCC34CC5CC(C3)CC(C5)C4 |
(1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[4-[3-(1-adamantylmethoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexane-1,2,3,5-tetrol |
| 39751 | RJS | 1 | C15 H11 Br F N3 O3 S | InChI=1S/C15H11BrFN3O3S/c 16-12-5-4-10(7-13(12)17)9 -24(22,23)19-15(21)11-8-1 8-20-6-2-1-3-14(11)20/h1- 8H,9H2,(H,19,21); LSGXMSZZZZALLZ-UHFFFAOYSA-N |
c1ccn2c(c1)c(cn2)C(=O)NS(=O)(=O)Cc3ccc(c (c3)F)Br; Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c 1cnn2ccccc12; Fc1cc(C[S](=O)(=O)NC(=O)c2 cnn3ccccc23)ccc1Br |
(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide |
| 39752 | RJU | 1 | C8 H16 Mn Mo6 N2 O24 | InChI=1S/2C4H8NO3.Mn.6Mo. 18O/c2*5-4(1-6,2-7)3-8;;; ;;;;;;;;;;;;;;;;;;;;;;/h2 *1-3,5H2;;;;;;;;;;;;;;;;; ;;;;;;;;/q2*+6;;;;;;;;;;; ;;;12*-1; PCXYAXRCDFMDHK-UHFFFAOYSA-N |
NC12C[O++]34[Mn]5678[O++]9(C1)[Mo]%10%11 ([O-])([O-])O[Mo]3%12([O-])([O-])O[Mo]4% 13([O-])([O-])O[Mo]%14%15([O-])([O-])O[M o]%16([O-])([O-])(O[Mo]9([O-])([O-])(O%1 0)[O++]5%16CC(N)(C[O++]6%11%12)C[O++]7%1 3%14)[O++]8%15C2; C1C2(C[O+2]34[Mn]5678[ O+2]19[Mo]1%10([O+2]55[Mo]3(O1)(O[Mo]41( [O+2]63CC(C5)(C[O+2]74[Mo]9(O%10)(O[Mo]4 4([O+2]8(C2)[Mo]3(O4)(O1)([O-])[O-])([O- ])[O-])([O-])[O-])N)([O-])[O-])([O-])[O- ])([O-])[O-])N |
Mn-Mo(6)-N(2)-O(24)-C(8) cluster; amine-functionalised Anderson-Evans polyoxometalate |
| 39753 | RJW CHEMBL1765959 ZINC000071318097 |
2 | C28 H34 O | InChI=1S/C28H34O/c1-3-4-5 -8-17-24-20-25-26(29)18-1 9-28(25,21(2)22-13-9-6-10 -14-22)27(24)23-15-11-7-1 2-16-23/h6-7,9-16,25-26,2 9H,2-5,8,17-20H2,1H3/t25- ,26+,28-/m0/s1; ZFXMYHPLTQTTFW-REUBFRLUSA-N |
OC1CCC2(C1CC(CCCCCC)=C2c3ccccc3)/C(c4ccc cc4)=C; CCCCCCC1=C(c2ccccc2)[C]3(CC[CH]( O)[CH]3C1)C(=C)c4ccccc4; CCCCCCC1=C(c2cc ccc2)[C@@]3(CC[C@@H](O)[C@@H]3C1)C(=C)c4 ccccc4; CCCCCCC1=C(C2(CCC(C2C1)O)C(=C)c3 ccccc3)c4ccccc4; CCCCCCC1=C([C@@]2(CC[C@ H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4 |
(1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol |
| 39754 | RJX | 2 | C18 H13 Cl N2 O3 | InChI=1S/C18H13ClN2O3/c19 -14-3-1-2-11(6-14)7-17(22 )21-16-10-20-9-13-5-4-12( 18(23)24)8-15(13)16/h1-6, 8-10H,7H2,(H,21,22)(H,23, 24); UKFWXTVAPKPVEE-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cc(cc3)C(= O)O; OC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c 3)c2c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc 21)C(=O)O |
4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid |
| 39755 | RJY ZINC000000120878 |
2 | C7 H9 N O2 S | InChI=1S/C7H9NO2S/c1-3-10 -7(9)6-4-11-5(2)8-6/h4H,3 H2,1-2H3; QWWPUBQHZFHZSF-UHFFFAOYSA-N |
CCOC(=O)c1csc(n1)C; Cc1scc(C(=O)OCC)n1; CCOC(=O)c1csc(C)n1 |
ethyl 2-methyl-1,3-thiazole-4-carboxylate |
| 39756 | RJZ CHEMBL5089171 |
2 | C19 H18 Br N7 O | InChI=1S/C19H18BrN7O/c1-1 1-23-14-6-5-13(12-9-16(21 )26-17(22)10-12)24-19(14) 27(11)7-8-28-18-4-2-3-15( 20)25-18/h2-6,9-10H,7-8H2 ,1H3,(H4,21,22,26); IOUKAQLHORTKRT-UHFFFAOYSA-N |
Cc1nc2ccc(nc2n1CCOc3cccc(n3)Br)c4cc(nc(c 4)N)N; Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4 cc(N)nc(N)c4 |
4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39757 | RK0 | 1 | C14 H14 N4 O3 S2 | InChI=1S/C14H14N4O3S2/c1- 8-4-5-12(6-11(8)7-15)18-2 3(20,21)13-9(2)16-14(22-1 3)17-10(3)19/h4-6,18H,1-3 H3,(H,16,17,19); BORZWBYDXGSJEW-UHFFFAOYSA-N |
Cc1ccc(cc1C#N)NS(=O)(=O)c2c(nc(s2)NC(=O) C)C; Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N )c(C)cc1; CC(=O)Nc1sc(c(C)n1)[S](=O)(=O) Nc2ccc(C)c(c2)C#N |
N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide |
| 39758 | RK1 | 1 | C17 H25 N3 O | InChI=1S/C17H25N3O/c1-3-1 7(10-11-18-12-13-20(17)4- 2)16(21)19-14-15-8-6-5-7- 9-15/h5-9,11H,3-4,10,12-1 4H2,1-2H3,(H,19,21)/t17-/ m1/s1; ZQBDTUTZFRWAGO-QGZVFWFLSA-N |
C(C1(CC=NCCN1CC)C(=O)NCc2ccccc2)C; CCN1C CN=CC[C]1(CC)C(=O)NCc2ccccc2; CCC1(CC=NC CN1CC)C(=O)NCc2ccccc2; CC[C@@]1(CC=NCCN1 CC)C(=O)NCc2ccccc2; CCN1CCN=CC[C@]1(CC)C (=O)NCc2ccccc2 |
(7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide |
| 39759 | RK2 CHEMBL5092833 |
2 | C20 H21 N7 O | InChI=1S/C20H21N7O/c1-12( 28-19-5-3-4-8-23-19)11-27 -13(2)24-16-7-6-15(25-20( 16)27)14-9-17(21)26-18(22 )10-14/h3-10,12H,11H2,1-2 H3,(H4,21,22,26)/t12-/m1/ s1; CCUMIOKJQCVBML-GFCCVEGCSA-N |
Cc1nc2ccc(nc2n1C[C@@H](C)Oc3ccccn3)c4cc( nc(c4)N)N; Cc1nc2ccc(nc2n1CC(C)Oc3ccccn3 )c4cc(nc(c4)N)N; C[CH](Cn1c(C)nc2ccc(nc1 2)c3cc(N)nc(N)c3)Oc4ccccn4; C[C@H](Cn1c( C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 |
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39760 | RK3 | 12 | C17 H21 N5 O13 P2 | InChI=1S/C17H21N5O13P2/c2 3-10-7-3-30-36(26,27)35-3 7(28,29)31-4-8-13(34-17(3 3-7)11(10)24)12(25)16(32- 8)22-6-19-9-14-18-1-2-21( 14)5-20-15(9)22/h1-2,5-8, 10-13,16-17,23-25H,3-4H2, (H,26,27)(H,28,29)/t7-,8- ,10-,11-,12-,13-,16-,17+/ m1/s1; LFJBQYHLOPJAJZ-DLFWLGJNSA-N |
c1cn2cnc3c(c2n1)ncn3C4C(C5C(O4)COP(=O)(O P(=O)(OCC6C(C(C(O6)O5)O)O)O)O)O; O[CH]1[ CH](O)[CH]2O[CH]1CO[P](O)(=O)O[P](O)(=O) OC[CH]3O[CH]([CH](O)[CH]3O2)n4cnc5c6nccn 6cnc45; c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H] ([C@H]5[C@H](O4)COP(=O)(OP(=O)(OC[C@@H]6 [C@H]([C@H]([C@@H](O6)O5)O)O)O)O)O; O[C@ H]1[C@@H](O)[C@H]2O[C@@H]1CO[P](O)(=O)O[ P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O 2)n4cnc5c6nccn6cnc45 |
(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol; 1''-3'gc(etheno)ADPR |
| 39761 | RK4 CHEMBL1496013 ZINC000003953890 |
2 | C13 H17 N O2 | InChI=1S/C13H17NO2/c15-13 (16)12-6-4-5-11(9-12)10-1 4-7-2-1-3-8-14/h4-6,9H,1- 3,7-8,10H2,(H,15,16); UIXWGRXBYZGOQK-UHFFFAOYSA-N |
OC(=O)c1cccc(CN2CCCCC2)c1; c1cc(cc(c1)C( =O)O)CN2CCCCC2; C1CCN(CC1)Cc2cccc(C(=O)O )c2 |
3-[(piperidin-1-yl)methyl]benzoic acid |
| 39762 | RK5 CHEMBL5073869 |
2 | C15 H15 N3 O | InChI=1S/C15H15N3O/c1-8-9 (2)19-13-4-3-10(5-12(8)13 )11-6-14(16)18-15(17)7-11 /h3-7H,1-2H3,(H4,16,17,18 ); PZRAWCBVDRNTDQ-UHFFFAOYSA-N |
Cc1c(oc2c1cc(cc2)c3cc(nc(c3)N)N)C; Cc1oc 2ccc(cc2c1C)c3cc(N)nc(N)c3 |
4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
| 39763 | RK6 | 2 | C19 H16 Cl N3 O2 | InChI=1S/C19H16ClN3O2/c1- 21-19(25)13-5-6-16-14(9-1 3)10-22-11-17(16)23-18(24 )8-12-3-2-4-15(20)7-12/h2 -7,9-11H,8H2,1H3,(H,21,25 )(H,23,24); YTZPJQXEGVHVLU-UHFFFAOYSA-N |
CNC(=O)c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3) Cl; CNC(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)c ncc2c1; Clc1cccc(c1)CC(=O)Nc1cncc2cc(ccc 21)C(=O)NC |
4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide |
| 39764 | RK7 | 1 | C10 H11 Br F N O3 | InChI=1S/C10H11BrFNO3/c1- 2-16-10(15)8(12)9(14)7-4- 3-6(11)5-13-7/h3-5,8-9,14 H,2H2,1H3/t8-,9+/m1/s1; JAJULJUIZXJSOC-BDAKNGLRSA-N |
CCOC(=O)[C@H](F)[C@@H](O)c1ccc(Br)cn1; C COC(=O)C(C(c1ccc(cn1)Br)O)F; CCOC(=O)[C@ @H]([C@H](c1ccc(cn1)Br)O)F; CCOC(=O)[CH] (F)[CH](O)c1ccc(Br)cn1; C(O)(C(C(OCC)=O) F)c1ccc(cn1)Br |
ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate |
| 39765 | RK8 | 3 | C20 H20 Br N7 O | InChI=1S/C20H20BrN7O/c1-1 1(29-19-5-3-4-16(21)26-19 )10-28-12(2)24-15-7-6-14( 25-20(15)28)13-8-17(22)27 -18(23)9-13/h3-9,11H,10H2 ,1-2H3,(H4,22,23,27)/t11- /m0/s1; POSGRZQCKOTBHE-NSHDSACASA-N |
Cc1nc2ccc(nc2n1C[C@H](C)Oc3cccc(n3)Br)c4 cc(nc(c4)N)N; C[C@@H](Cn1c(C)nc2ccc(nc12 )c3cc(N)nc(N)c3)Oc4cccc(Br)n4; Cc1nc2ccc (nc2n1CC(C)Oc3cccc(n3)Br)c4cc(nc(c4)N)N; C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3 )Oc4cccc(Br)n4 |
4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39766 | RK9 | 1 | C14 H14 N4 O3 S2 | InChI=1S/C14H14N4O3S2/c1- 3-12(19)17-14-16-9(2)13(2 2-14)23(20,21)18-11-6-4-5 -10(7-11)8-15/h4-7,18H,3H 2,1-2H3,(H,16,17,19); AUZRVQWOOJLPJO-UHFFFAOYSA-N |
Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc 1; CCC(=O)Nc1sc(c(C)n1)[S](=O)(=O)Nc2ccc c(c2)C#N; CCC(=O)Nc1nc(c(s1)S(=O)(=O)Nc2 cccc(c2)C#N)C |
N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide |
| 39767 | RKA CHEMBL1235694 ZINC000035307806 |
0 | C30 H25 N5 | InChI=1S/C30H25N5/c31-29( 23-7-3-1-4-8-23)33-25-15- 11-21(12-16-25)27-19-20-2 8(35-27)22-13-17-26(18-14 -22)34-30(32)24-9-5-2-6-1 0-24/h1-20,35H,(H2,31,33) (H2,32,34); AXUZUHYCWFMCLV-UHFFFAOYSA-N |
[H]N=C(c1ccccc1)Nc2ccc(cc2)c3ccc([nH]3)c 4ccc(cc4)NC(=N[H])c5ccccc5; [H]/N=C(/c1c cccc1)\Nc2ccc(cc2)c3ccc([nH]3)c4ccc(cc4) N/C(=N/[H])/c5ccccc5; [N@H]=C(c1ccccc1)N c5ccc(c4ccc(c3ccc(NC(=[N@H])c2ccccc2)cc3 )n4)cc5; N=C(Nc1ccc(cc1)c2[nH]c(cc2)c3cc c(NC(=N)c4ccccc4)cc3)c5ccccc5 |
N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-PHENYLENE)DIBENZENECARBOXIMIDAMIDE |
| 39768 | RKC | 2 | C21 H17 Cl N2 O2 | InChI=1S/C21H17ClN2O2/c22 -15-5-6-19-17(11-15)21(8- 10-26-19)7-9-24(20(21)25) 18-13-23-12-14-3-1-2-4-16 (14)18/h1-6,11-13H,7-10H2 /t21-/m1/s1; ZNASZZIYVWAOJK-OAQYLSRUSA-N |
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc 5)Cl; c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CC Oc5c4cc(cc5)Cl; Clc1ccc2OCC[C]3(CCN(C3=O )c4cncc5ccccc45)c2c1; Clc1ccc2OCC[C@]3(C CN(C3=O)c4cncc5ccccc45)c2c1; Clc1ccc2OCC C3(CCN(C3=O)c3cncc4ccccc43)c2c1 |
(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one |
| 39769 | RKD | 3 | C17 H17 Cl N3 O | InChI=1S/C17H16ClN3O/c18- 16-7-5-15(6-8-16)17(22,11 -19)14-3-1-12(2-4-14)13-9 -20-21-10-13/h1-10,22H,11 ,19H2,(H,20,21)/p+1/t17-/ m0/s1; IIRWNGPLJQXWFJ-KRWDZBQOSA-O |
[NH3+]C[C](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3c [nH]nc3; c1cc(ccc1c2c[nH]nc2)C(C[NH3+])( c3ccc(cc3)Cl)O; c1cc(ccc1c2c[nH]nc2)[C@@ ](C[NH3+])(c3ccc(cc3)Cl)O; Clc1ccc(cc1)C (O)(c3ccc(c2cnnc2)cc3)C[NH3+]; [NH3+]C[C @@](O)(c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3 |
(2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium; (1S)-2-AMINO-1-(4-CHLOROPHENYL)-1-(4-(1H-PYRAZOL-4-YL)PHENYL)ETHAN-1-OL |
| 39770 | RKE CHEMBL467505 DB19150 ZINC000036294079 |
10 | C13 H16 Cl N O | InChI=1S/C13H16ClNO/c1-15 -13(9-5-4-8-12(13)16)10-6 -2-3-7-11(10)14/h2-3,6-7, 15H,4-5,8-9H2,1H3/t13-/m1 /s1; YQEZLKZALYSWHR-CYBMUJFWSA-N |
CNC1(CCCCC1=O)c2ccccc2Cl; CN[C]1(CCCCC1= O)c2ccccc2Cl; Clc1c(cccc1)C2(NC)C(=O)CCC C2; CN[C@]1(CCCCC1=O)c2ccccc2Cl |
(R)-ketamine; (2R)-2-(2-chlorophenyl)-2-(methylamino)cyclohexanone |
| 39771 | RKF | 0 | C38 H20 F2 N12 Ru | InChI=1S/C18H8F2N4.2C10H6 N4.Ru/c19-11-7-13-14(8-12 (11)20)24-18-10-4-2-6-22- 16(10)15-9(17(18)23-13)3- 1-5-21-15;2*1-2-8-10(14-6 -4-12-8)9-7(1)11-3-5-13-9 ;/h1-8H;2*1-6H;/q;;;+2; DYCZIOAIFCZYGH-UHFFFAOYSA-N |
c1cc2c3c4c1N=CC=[N]4[Ru+2]56([N]3=CC=N2) ([N]7=C8C(=CC=C7)c9c(nc1cc(c(cc1n9)F)F)C 1=CC=C[N]5=C18)[N]1=CC=Nc2c1c1c(cc2)N=CC =[N]61 |
(11,12-difluorodipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+) |
| 39772 | RKG | 1 | C12 H15 N3 O3 | InChI=1S/C12H15N3O3/c1-17 -11(16)15-4-7-2-9-10-8(13 -6-14-10)3-12(7,5-15)18-9 /h6-7,9H,2-5H2,1H3,(H,13, 14)/t7-,9-,12+/m0/s1; FQKSXZLOQOIXHN-QOSJWCAFSA-N |
COC(=O)N1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc 34; COC(=O)N1CC2CC3c4c([nH]cn4)CC2(C1)O3 ; C3C21C(CN(C(OC)=O)C1)CC(O2)c4c3ncn4; C OC(=O)N1C[C@@H]2C[C@H]3c4c([nH]cn4)C[C@] 2(C1)O3; COC(=O)N1C[C@@H]2C[C@@H]3O[C@@] 2(C1)Cc4[nH]cnc34 |
methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate |
| 39773 | RKH CHEMBL5094822 |
2 | C14 H13 N3 O | InChI=1S/C14H13N3O/c1-8-4 -11-5-9(2-3-12(11)18-8)10 -6-13(15)17-14(16)7-10/h2 -7H,1H3,(H4,15,16,17); BMBIGEJCNXQYPN-UHFFFAOYSA-N |
Cc1cc2cc(ccc2o1)c3cc(nc(c3)N)N; Cc1oc2cc c(cc2c1)c3cc(N)nc(N)c3 |
4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
| 39774 | RKI | 1 | C16 H13 N3 O3 S | InChI=1S/C16H13N3O3S/c20- 13(21)7-10-2-1-3-11(6-10) 8-17-16(22)14-15-12(4-5-2 3-15)18-9-19-14/h1-6,9H,7 -8H2,(H,17,22)(H,20,21); VCJDDYFVULHGFW-UHFFFAOYSA-N |
O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12; c 1cc(cc(c1)CNC(=O)c2c3c(ccs3)ncn2)CC(=O)O ; OC(=O)Cc1cccc(CNC(=O)c2ncnc3ccsc23)c1 |
(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid |
| 39775 | RKJ | 2 | C14 H21 N3 O2 | InChI=1S/C14H21N3O2/c1-4- 17-6-9-5-10-12-11(8(2)15- 19-12)13(18)14(9,7-17)16( 10)3/h9-10,13,18H,4-7H2,1 -3H3/t9-,10-,13+,14+/m0/s 1; BZPBUUKNGNRKPU-DUBDDPSESA-N |
CCN1C[C@@H]2C[C@H]3c4c(c(no4)C)[C@H]([C@ ]2(C1)N3C)O; CCN1C[CH]2C[CH]3N(C)[C]2(C1 )[CH](O)c4c(C)noc34; CCN1C[C@@H]2C[C@@H] 3N(C)[C@@]2(C1)[C@H](O)c4c(C)noc34; CCN1 CC2CC3c4c(c(no4)C)C(C2(C1)N3C)O; N1(C3c4 onc(C)c4C(C12C(CN(C2)CC)C3)O)C |
(4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol |
| 39776 | RKK CHEMBL5091644 |
2 | C19 H26 N6 | InChI=1S/C19H26N6/c1-3-5- 7-18-22-15-9-8-14(13-11-1 6(20)24-17(21)12-13)23-19 (15)25(18)10-6-4-2/h8-9,1 1-12H,3-7,10H2,1-2H3,(H4, 20,21,24); IQINXSAAPBBCLN-UHFFFAOYSA-N |
CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3; CCCCc1nc2ccc(nc2n1CCCC)c3cc(nc(c3)N)N |
4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine; 4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine |
| 39777 | RKL | 0 | C38 H22 N12 Ru | InChI=1S/C18H10N4.2C10H6N 4.Ru/c1-2-8-14-13(7-1)21- 17-11-5-3-9-19-15(11)16-1 2(18(17)22-14)6-4-10-20-1 6;2*1-2-8-10(14-6-4-12-8) 9-7(1)11-3-5-13-9;/h1-10H ;2*1-6H;/q;;;+2; PIKVAZQLFXBUSD-UHFFFAOYSA-N |
[Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11c9%1 0)|n%12ccnc%13ccc%14nccn|3c%14c%12%13; c 1ccc2c(c1)nc3c(n2)C4=CC=C[N]5=C4C6=[N]([ Ru+2]578([N]9=C1C(=NC=C9)C=CC2=NC=C[N]7= C21)[N]1=C2C(=NC=C1)C=CC1=NC=C[N]8=C12)C =CC=C36; n1c3c6c5c4c(c3nc2c1cccc2)cccn4[ Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8nccn% 10c89)n%13c%14c%11c(nccn%11%12)ccc%14ncc %13 |
Ru(tap)2(dppz) complex |
| 39778 | RKM | 0 | C39 H24 N12 Ru | InChI=1S/C19H12N4.2C10H6N 4.Ru/c1-11-6-7-14-15(10-1 1)23-19-13-5-3-9-21-17(13 )16-12(18(19)22-14)4-2-8- 20-16;2*1-2-8-10(14-6-4-1 2-8)9-7(1)11-3-5-13-9;/h2 -10H,1H3;2*1-6H;; IUORKEDPZTZOCS-UHFFFAOYSA-N |
[Ru].Cc1ccc2nc3c4cccnc4c5ncccc5c3nc2c1.c 6cnc7c(ccc8nccnc78)n6.c9cncc(cccnccnc)n9 ; n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6 nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn )cccncc; Cc1ccc2c(c1)nc3c4c5c6c(c3n2)C=C C=[N]6[Ru]78([N]5=CC=C4)([N]9=CC=Nc1c9c2 c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N= CC=[N]81 |
(11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium |
| 39779 | RKN | 2 | C14 H15 Cl N | InChI=1S/C14H14ClN/c1-16- 10-11-7-8-13(14(15)9-11)1 2-5-3-2-4-6-12/h2-9,16H,1 0H2,1H3/p+1; MDDYEXZTZUUWBH-UHFFFAOYSA-O |
C[NH2+]Cc1ccc(c(Cl)c1)c2ccccc2; C[NH2+]C c1ccc(c(c1)Cl)c2ccccc2 |
(3-chloranyl-4-phenyl-phenyl)methyl-methyl-azanium |
| 39780 | RKO CHEMBL5561542 ZINC000000051639 |
6 | C14 H11 Cl N4 O S | InChI=1S/C14H11ClN4OS/c15 -9-5-6-12(16-7-9)19-13(20 )8-21-14-17-10-3-1-2-4-11 (10)18-14/h1-7H,8H2,(H,17 ,18)(H,16,19,20); OOYJNUNOVRCHJZ-UHFFFAOYSA-N |
Clc1ccc(NC(=O)CSc2[nH]c3ccccc3n2)nc1; c1 ccc2c(c1)[nH]c(n2)SCC(=O)Nc3ccc(cn3)Cl |
2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide |
| 39781 | RKP | 0 | C42 H26 N8 Ru | InChI=1S/C18H10N4.2C12H8N 2.Ru/c1-2-8-14-13(7-1)21- 17-11-5-3-9-19-15(11)16-1 2(18(17)22-14)6-4-10-20-1 6;2*1-3-9-5-6-10-4-2-8-14 -12(10)11(9)13-7-1;/h1-10 H;2*1-8H;; OYSRBLHMGIHFCB-UHFFFAOYSA-N |
c1ccc2c(c1)nc3c4c5c6c(c3n2)C=CC=[N]6[Ru] 78([N]5=CC=C4)([N]9=CC=Cc1c9c2c(cc1)C=CC =[N]72)[N]1=CC=Cc2c1c1c(cc2)C=CC=[N]81; n1c3c6c5c4c(c3nc2c1cccc2)cccn4[Ru]%10%14 (n5ccc6)(n8c7c9c(ccc7ccc8)cccn9%10)n%12c ccc%11ccc%13c(c%11%12)n%14ccc%13; [Ru]|1 |2|3(|n4cccc5ccc6cccn|1c6c45)(|n7cccc8cc c9cccn|2c9c78)|n%10cccc%11c%10c%12n|3ccc c%12c%13nc%14ccccc%14nc%11%13 |
Lambda-Ru(phen)2(dppz) complex |
| 39782 | RKQ CHEMBL5088511 |
1 | C20 H20 N6 O | InChI=1S/C20H20N6O/c1-13- 23-17-8-7-16(14-11-18(21) 25-19(22)12-14)24-20(17)2 6(13)9-10-27-15-5-3-2-4-6 -15/h2-8,11-12H,9-10H2,1H 3,(H4,21,22,25); XQMMPFLQOCIGRW-UHFFFAOYSA-N |
Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N) N; Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc( N)c4 |
4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39783 | RKR | 2 | C19 H18 Cl N3 O | InChI=1S/C19H18ClN3O/c1-2 3(2)16-7-6-14-11-21-12-18 (17(14)10-16)22-19(24)9-1 3-4-3-5-15(20)8-13/h3-8,1 0-12H,9H2,1-2H3,(H,22,24); YDRXFINTBCAEPL-UHFFFAOYSA-N |
CN(C)c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl ; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C )C; CN(C)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3) c2c1 |
2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide |
| 39784 | RKS ZINC000058638710 |
6 | C24 H36 N4 O10 | InChI=1S/C24H36N4O10/c1-1 5(29)27(36)13-6-4-10-18(2 5-22(33)17-9-8-12-20(31)2 1(17)32)23(34)26-19(24(35 )38-3)11-5-7-14-28(37)16( 2)30/h8-9,12,18-19,31-32, 36-37H,4-7,10-11,13-14H2, 1-3H3,(H,25,33)(H,26,34)/ t18-,19+/m1/s1; WXZHDJXCVBLPHY-MOPGFXCFSA-N |
CC(=O)N(CCCCC(C(=O)NC(CCCCN(C(=O)C)O)C(= O)OC)NC(=O)c1cccc(c1O)O)O; COC(=O)[CH](C CCCN(O)C(C)=O)NC(=O)[CH](CCCCN(O)C(C)=O) NC(=O)c1cccc(O)c1O; COC(=O)[C@H](CCCCN(O )C(C)=O)NC(=O)[C@@H](CCCCN(O)C(C)=O)NC(= O)c1cccc(O)c1O; CC(=O)N(CCCC[C@H](C(=O)N [C@@H](CCCCN(C(=O)C)O)C(=O)OC)NC(=O)c1cc cc(c1O)O)O; O=C(OC)C(NC(=O)C(NC(=O)c1ccc c(O)c1O)CCCCN(O)C(=O)C)CCCCN(O)C(=O)C |
methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate; 2,3-catecholamide bis-lysine(hydroxamate) methyl ester |
| 39785 | RKT ZINC000002539651 |
0 | C10 H6 N4 | InChI=1S/C10H6N4/c1-2-8-1 0(14-6-4-12-8)9-7(1)11-3- 5-13-9/h1-6H; CVSGFMWKZVZOJD-UHFFFAOYSA-N |
c1cc2c(c3c1nccn3)nccn2; n1c3c(ncc1)ccc2n ccnc23; c1cnc2c(ccc3nccnc23)n1 |
pyrazino[2,3-f]quinoxaline |
| 39786 | RKU | 1 | C17 H13 Br F N3 O3 | InChI=1S/C17H13BrFN3O3/c1 8-10-3-1-9(2-4-10)13(7-15 (23)24)22-17(25)12-5-11(1 9)6-14-16(12)21-8-20-14/h 1-6,8,13H,7H2,(H,20,21)(H ,22,25)(H,23,24)/t13-/m0/ s1; QCPOODMPJHYVRY-ZDUSSCGKSA-N |
OC(=O)C[CH](NC(=O)c1cc(F)cc2[nH]cnc12)c3 ccc(Br)cc3; Brc1ccc(cc1)C(CC(=O)O)NC(=O) c1cc(F)cc2[NH]cnc12; c1cc(ccc1C(CC(=O)O) NC(=O)c2cc(cc3c2nc[nH]3)F)Br; c1cc(ccc1[ C@H](CC(=O)O)NC(=O)c2cc(cc3c2nc[nH]3)F)B r; OC(=O)C[C@H](NC(=O)c1cc(F)cc2[nH]cnc1 2)c3ccc(Br)cc3 |
(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid |
| 39787 | RKV ZINC000005177747 |
2 | C9 H8 N2 O3 | InChI=1S/C9H8N2O3/c1-11-7 (9(12)13)5-6(10-11)8-3-2- 4-14-8/h2-5H,1H3,(H,12,13 ); MOPCEJWYTICWJM-UHFFFAOYSA-N |
c1c(n(nc1c2ccco2)C)C(O)=O; Cn1c(cc(n1)c2 ccco2)C(=O)O; Cn1nc(cc1C(O)=O)c2occc2 |
3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid |
| 39788 | RKW CHEMBL5070119 |
2 | C16 H16 N4 O2 | InChI=1S/C16H16N4O2/c1-18 -9-16(21)20-15-8-12(7-14( 17)19-15)10-2-3-13-11(6-1 0)4-5-22-13/h2-8,18H,9H2, 1H3,(H3,17,19,20,21); QTOHGLNFWYFLSB-UHFFFAOYSA-N |
CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2; CNC C(=O)Nc1cc(cc(n1)N)c2ccc3c(c2)cco3 |
~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide |
| 39789 | RKX CHEMBL3138844 ZINC000000391171 |
1 | C8 H10 N2 O | InChI=1S/C8H10N2O/c1-11-7 -4-2-6(3-5-7)8(9)10/h2-5H ,1H3,(H3,9,10); CSISQILZUHMAJB-UHFFFAOYSA-N |
COc1ccc(cc1)C(=N)N; [H]/N=C(/c1ccc(cc1)O C)\N; COc1ccc(cc1)C(N)=N |
4-methoxybenzenecarboximidamide |
| 39790 | RKY CHEMBL1349957 ZINC000003888072 |
3 | C13 H14 O5 | InChI=1S/C13H14O5/c14-10( 3-5-13(15)16)9-2-4-11-12( 8-9)18-7-1-6-17-11/h2,4,8 H,1,3,5-7H2,(H,15,16); RQYNFIARXFWNDM-UHFFFAOYSA-N |
OC(=O)CCC(=O)c1ccc2OCCCOc2c1; c1cc2c(cc1 C(=O)CCC(=O)O)OCCCO2; c1cc(C(CCC(O)=O)=O )cc2c1OCCCO2 |
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid |
| 39791 | RKZ CHEMBL4575900 |
2 | C21 H22 N6 O | InChI=1S/C21H22N6O/c1-13( 28-16-6-4-3-5-7-16)12-27- 14(2)24-18-9-8-17(25-21(1 8)27)15-10-19(22)26-20(23 )11-15/h3-11,13H,12H2,1-2 H3,(H4,22,23,26)/t13-/m1/ s1; PUGXENIKUPHCAF-CYBMUJFWSA-N |
Cc1nc2ccc(nc2n1CC(C)Oc3ccccc3)c4cc(nc(c4 )N)N; C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc (N)c3)Oc4ccccc4; Cc1nc2ccc(nc2n1C[C@@H]( C)Oc3ccccc3)c4cc(nc(c4)N)N; C[C@H](Cn1c( C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4 |
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
| 39792 | RL0 | 2 | C19 H18 Cl N3 O3 S | InChI=1S/C19H18ClN3O3S/c1 -23(27(2,25)26)16-7-6-14- 11-21-12-18(17(14)10-16)2 2-19(24)9-13-4-3-5-15(20) 8-13/h3-8,10-12H,9H2,1-2H 3,(H,22,24); NWQAGGFPSKOROJ-UHFFFAOYSA-N |
CN(c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl)S (=O)(=O)C; CN(c1ccc2cncc(NC(=O)Cc3cccc(C l)c3)c2c1)[S](C)(=O)=O; Clc1cccc(c1)CC(= O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O |
2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide |
| 39793 | RL1 CHEMBL3260476 ZINC000098209367 |
1 | C22 H17 Br N4 O3 | InChI=1S/C22H17BrN4O3/c23 -15-5-6-20-24-25-21(27(20 )12-15)16-9-17(19(29)10-1 8(16)28)22(30)26-8-7-13-3 -1-2-4-14(13)11-26/h1-6,9 -10,12,28-29H,7-8,11H2; PQZGUYBCXAZFGQ-UHFFFAOYSA-N |
c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4n nc5n4cc(cc5)Br; Oc1cc(O)c(cc1C(=O)N2CCc3 ccccc3C2)c4nnc5ccc(Br)cn45; Brc1ccc2nnc( n2c1)c3cc(c(O)cc3O)C(=O)N5Cc4c(cccc4)CC5 |
[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| 39794 | RL2 DB03691 ZINC000012503756 |
1 | C19 H28 N2 O5 | InChI=1S/C19H28N2O5/c1-13 (2)10-11-20-18(25)15(9-8- 14-6-4-3-5-7-14)21-19(26) 16(22)12-17(23)24/h3-7,13 ,15-16,22H,8-12H2,1-2H3,( H,20,25)(H,21,26)(H,23,24 )/t15-,16-/m0/s1; KVZMXOVSHIMGNA-HOTGVXAUSA-N |
CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H ](CC(=O)O)O; CC(C)CCNC(=O)[CH](CCc1ccccc 1)NC(=O)[CH](O)CC(O)=O; CC(C)CCNC(=O)C(C Cc1ccccc1)NC(=O)C(CC(=O)O)O; CC(C)CCNC(= O)[C@H](CCc1ccccc1)NC(=O)[C@@H](O)CC(O)= O; O=C(O)CC(O)C(=O)NC(C(=O)NCCC(C)C)CCc1 ccccc1 |
N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE; WRR-112 |
| 39795 | RL3 CHEMBL3260475 ZINC000098209368 |
1 | C18 H18 Br N5 O3 | InChI=1S/C18H18BrN5O3/c1- 22-4-6-23(7-5-22)18(27)13 -8-12(14(25)9-15(13)26)17 -21-20-16-3-2-11(19)10-24 (16)17/h2-3,8-10,25-26H,4 -7H2,1H3; MORDYVAZUXQMHB-UHFFFAOYSA-N |
O=C(N1CCN(C)CC1)c4cc(c3nnc2ccc(Br)cn23)c (O)cc4O; CN1CCN(CC1)C(=O)c2cc(c(O)cc2O)c 3nnc4ccc(Br)cn34; CN1CCN(CC1)C(=O)c2cc(c (cc2O)O)c3nnc4n3cc(cc4)Br |
[5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](4-methylpiperazin-1-yl)methanone |
| 39796 | RL4 | 8 | C29 H33 N O2 | InChI=1S/C29H33NO2/c1-21- 6-5-17-30(21)18-19-32-26- 13-9-23(10-14-26)29-27(22 -7-3-2-4-8-22)15-11-24-20 -25(31)12-16-28(24)29/h2- 4,7-10,12-14,16,20-21,27, 29,31H,5-6,11,15,17-19H2, 1H3/t21-,27-,29+/m1/s1; MMWIJVMRMZLIPV-NRZUKODWSA-N |
C[C@@H]1CCCN1CCOc2ccc(cc2)[C@H]3[C@H](CC c4cc(O)ccc34)c5ccccc5; CC1CCCN1CCOc2ccc( cc2)C4c3ccc(O)cc3CCC4c5ccccc5; C[C@@H]1C CCN1CCOc2ccc(cc2)[C@@H]3c4ccc(cc4CC[C@@H ]3c5ccccc5)O; C[CH]1CCCN1CCOc2ccc(cc2)[C H]3[CH](CCc4cc(O)ccc34)c5ccccc5; CC1CCCN 1CCOc2ccc(cc2)C3c4ccc(cc4CCC3c5ccccc5)O |
(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol |
| 39797 | RL5 | 1 | C12 H15 N5 O3 S | InChI=1S/C12H15N5O3S/c1-2 -13-12-15-5-9(21-12)10(18 )14-3-4-17-6-8(11(19)20)1 6-7-17/h5-7H,2-4H2,1H3,(H ,13,15)(H,14,18)(H,19,20); XUTVGWPXCMPLPZ-UHFFFAOYSA-N |
CCNc1ncc(s1)C(=O)NCCn2cc(nc2)C(=O)O; CCN c1sc(cn1)C(=O)NCCn2cnc(c2)C(O)=O; CCNc1n cc(s1)C(=O)NCCn1cc(nc1)C(=O)O |
1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid |
| 39798 | RL6 | 1 | C11 H9 Cl2 N O | InChI=1S/C11H9Cl2NO/c1-6- 3-4-9-10(11(6)13)8(12)5-1 4(9)7(2)15/h3-5H,1-2H3; IETDZXPYBWJKDH-UHFFFAOYSA-N |
Cc1ccc2c(c1Cl)c(cn2C(=O)C)Cl; CC(=O)n1cc (Cl)c2c(Cl)c(C)ccc12 |
1-[3,4-bis(chloranyl)-5-methyl-indol-1-yl]ethanone |
| 39799 | RL7 CHEMBL4635646 |
1 | C17 H16 F4 N2 O | InChI=1S/C17H16F4N2O/c1-9 -11(8-22-15(9)16(24)23-13 -4-5-13)6-10-2-3-12(7-14( 10)18)17(19,20)21/h2-3,7- 8,13,22H,4-6H2,1H3,(H,23, 24); HLDSAPKKTAWHGH-UHFFFAOYSA-N |
Cc1c(Cc2ccc(cc2F)C(F)(F)F)c[nH]c1C(=O)NC 3CC3; C(c1c(cc(cc1)C(F)(F)F)F)c3c(c(C(=O )NC2CC2)nc3)C; Cc1c(c[nH]c1C(=O)NC2CC2)C c3ccc(cc3F)C(F)(F)F |
N-cyclopropyl-4-{[2-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-methyl-1H-pyrrole-2-carboxamide |
| 39800 | RL8 | 2 | C19 H16 Cl N3 O2 | InChI=1S/C19H16ClN3O2/c1- 21-19(25)13-5-6-14-10-22- 11-17(16(14)9-13)23-18(24 )8-12-3-2-4-15(20)7-12/h2 -7,9-11H,8H2,1H3,(H,21,25 )(H,23,24); MQGFIRADDQPUFN-UHFFFAOYSA-N |
CNC(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2 c1; Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C (=O)NC; CNC(=O)c1ccc2cncc(c2c1)NC(=O)Cc3 cccc(c3)Cl |
4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide |