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H1V
H1V
Name:N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:C44 H46 Cl2 N10 O4 S2
SMILES:c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C
InChi:InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1
Definition date:2018-06-10
Last modified:2018-07-13
Release date:2018-07-18
Identifier:N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
O84
O84
Name:[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
Formula:C19 H22 N2 O11 P2
SMILES:O[P](O)(=O)CC=CC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O
InChi:InChI=1S/C19H22N2O11P2/c22-17-12(5-4-8-33(24,25)26)10-21(18(23)20-17)16-9-14-15(31-16)11-30-19(32-14,34(27,28)29)13-6-2-1-3-7-13/h1-7,10,14-16H,8-9,11H2,(H,20,22,23)(H2,24,25,26)(H2,27,28,29)/b5-4+/t14-,15-,16-,19-/m1/s1
Definition date:2018-03-23
Last modified:2018-07-06
Release date:2018-07-11
Identifier:[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-[(~{E})-3-phosphonoprop-1-enyl]pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
A4Y
A4Y
Name:(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
Formula:C17 H28 N4 O11 P2 S
SMILES:C(CC3C(N2Cc1cnc(C)nc1NC2(C(O)(C(O)(C(O)=O)C)C)S3)C)OP(O)(=O)OP(O)(O)=O
InChi:InChI=1S/C17H28N4O11P2S/c1-9-12(5-6-31-34(29,30)32-33(26,27)28)35-17(16(4,25)15(3,24)14(22)23)20-13-11(8-21(9)17)7-18-10(2)19-13/h7,9,12,24-25H,5-6,8H2,1-4H3,(H,22,23)(H,29,30)(H,18,19,20)(H2,26,27,28)/t9-,12+,15+,16-,17-/m0/s1
Definition date:2017-07-06
Last modified:2018-07-06
Release date:2018-07-11
Identifier:(2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid
EJ8
EJ8
Name:[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
Formula:C18 H22 N2 O11 P2 S
SMILES:O[P](O)(=O)CSCC1=CN([CH]2C[CH]3O[C](OC[CH]3O2)(c4ccccc4)[P](O)(O)=O)C(=O)NC1=O
InChi:InChI=1S/C18H22N2O11P2S/c21-16-11(9-34-10-32(23,24)25)7-20(17(22)19-16)15-6-13-14(30-15)8-29-18(31-13,33(26,27)28)12-4-2-1-3-5-12/h1-5,7,13-15H,6,8-10H2,(H,19,21,22)(H2,23,24,25)(H2,26,27,28)/t13-,14-,15-,18-/m1/s1
Definition date:2018-03-23
Last modified:2018-07-06
Release date:2018-07-11
Identifier:[(2~{R},4~{a}~{R},6~{R},7~{a}~{R})-6-[2,4-bis(oxidanylidene)-5-(phosphonomethylsulfanylmethyl)pyrimidin-1-yl]-2-phenyl-4~{a},6,7,7~{a}-tetrahydro-4~{H}-furo[3,2-d][1,3]dioxin-2-yl]phosphonic acid
E4Z
E4Z
Name:Baloxavir acid
Formula:C24 H19 F2 N3 O4 S
SMILES:OC1=C2N(C=CC1=O)N([CH]3COCCN3C2=O)[CH]4c5ccc(F)c(F)c5CSc6ccccc46
InChi:InChI=1S/C24H19F2N3O4S/c25-16-6-5-13-15(20(16)26)12-34-18-4-2-1-3-14(18)21(13)29-19-11-33-10-9-27(19)24(32)22-23(31)17(30)7-8-28(22)29/h1-8,19,21,31H,9-12H2/t19-,21+/m1/s1
Definition date:2018-02-19
Last modified:2018-07-06
Release date:2018-07-11
Identifier:(3~{R})-2-[(11~{S})-7,8-bis(fluoranyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-11-oxidanyl-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione
DUH
DUH
Name:2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
Formula:C20 H11 F4 N3 O2
SMILES:Oc1nn2ccccc2c1C(=O)Nc3c(F)c(F)c(c(F)c3F)c4ccccc4
InChi:InChI=1S/C20H11F4N3O2/c21-14-12(10-6-2-1-3-7-10)15(22)17(24)18(16(14)23)25-19(28)13-11-8-4-5-9-27(11)26-20(13)29/h1-9H,(H,25,28)(H,26,29)
Definition date:2018-01-31
Last modified:2018-07-06
Release date:2018-07-11
Identifier:2-oxidanyl-~{N}-[2,3,5,6-tetrakis(fluoranyl)-4-phenyl-phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
LON
LON
Name:(7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
Formula:C21 H25 N O5
SMILES:CN[CH]1CCc2cc(OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13
InChi:InChI=1S/C21H25NO5/c1-22-15-8-6-12-10-18(25-3)20(26-4)21(27-5)19(12)13-7-9-17(24-2)16(23)11-14(13)15/h7,9-11,15,22H,6,8H2,1-5H3/t15-/m0/s1
Definition date:2017-05-18
Last modified:2018-06-29
Release date:2018-07-04
Identifier:(7~{S})-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5~{H}-benzo[a]heptalen-9-one
D77
D77
Name:methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
Formula:C29 H21 N O11
SMILES:COC(C(O)C(C15OC16c4cc(O)c3C(=O)c2ccc(O)c(c2C(c3c4NC5C#CC=CC#CC6O)=O)O)(C)O)=O
InChi:InChI=1S/C29H21NO11/c1-27(39,25(37)26(38)40-2)29-16-7-5-3-4-6-8-17(33)28(29,41-29)13-11-15(32)19-20(21(13)30-16)24(36)18-12(22(19)34)9-10-14(31)23(18)35/h3-4,9-11,16-17,25,30-33,35,37,39H,1-2H3/b4-3-/t16-,17+,25-,27+,28-,29+/m0/s1
Definition date:2017-10-20
Last modified:2018-06-29
Release date:2018-07-04
Identifier:methyl (2R,3R)-2,3-dihydroxy-3-[(1aS,11S,11aR,14Z,18R)-3,7,8,18-tetrahydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]butanoate
K70
K70
Name:10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
Formula:C19 H16 N3 O2 S
SMILES:C(=O)(NO)c4ccc(C[n+]3c1ccccc1sc2cccnc23)cc4
InChi:InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,25H,12H2,(H-,21,23,24)/p+1
Definition date:2017-06-17
Last modified:2018-06-22
Release date:2018-06-27
Identifier:10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium
E9Y
E9Y
Name:1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Formula:C17 H18 N4 O2
SMILES:c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C
InChi:InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3
Definition date:2017-12-15
Last modified:2018-06-22
Release date:2018-06-27
Identifier:1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
GK9
GK9
Name:1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
Formula:C16 H14 Cl N3 O2
SMILES:c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4
InChi:InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3
Definition date:2017-12-15
Last modified:2018-06-22
Release date:2018-06-27
Identifier:1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
F3W
F3W
Name:(~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile
Formula:C23 H21 N5
SMILES:N#CC=Cc1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5
InChi:InChI=1S/C23H21N5/c24-12-5-7-16-6-4-8-17(14-16)23-27-20-15-26-22-19(11-13-25-22)21(20)28(23)18-9-2-1-3-10-18/h4-8,11,13-15,18H,1-3,9-10H2,(H,25,26)/b7-5+
Definition date:2018-05-24
Last modified:2018-06-22
Release date:2018-06-27
Identifier:(~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile
F48
F48
Name:3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
Formula:C21 H21 N5 O
SMILES:N#CCCc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5
InChi:InChI=1S/C21H21N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h8-10,12-14H,1-7H2,(H,23,24)
Definition date:2018-05-24
Last modified:2018-06-22
Release date:2018-06-27
Identifier:3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile
F4B
F4B
Name:(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
Formula:C21 H19 N5 O
SMILES:N#CC=Cc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5
InChi:InChI=1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+
Definition date:2018-05-24
Last modified:2018-06-22
Release date:2018-06-27
Identifier:(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
9X4
9X4
Name:(5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
Formula:C25 H25 N5 O3
SMILES:c5c2c(c1nc(C(=O)N)c(n1C3CC2C3)C(NC)=O)cc(C#CC(c4oc(cn4)C)(C)C)c5
InChi:InChI=1S/C25H25N5O3/c1-13-12-28-24(33-13)25(2,3)8-7-14-5-6-17-15-10-16(11-15)30-20(23(32)27-4)19(21(26)31)29-22(30)18(17)9-14/h5-6,9,12,15-16H,10-11H2,1-4H3,(H2,26,31)(H,27,32)/t15-,16+
Definition date:2017-06-21
Last modified:2018-06-15
Release date:2018-06-20
Identifier:(5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide
DZH
DZH
Name:~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
Formula:C25 H26 N6 O5 S
SMILES:CCn1cnc2N(Cc3ccc(CN[S](=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)C(=O)NC(=O)c12
InChi:InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34)
Definition date:2018-02-06
Last modified:2018-06-15
Release date:2018-06-20
Identifier:~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
9ZK
9ZK
Name:(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
Formula:C38 H51 N5 O6
SMILES:C[CH]1CCC=C(C)C[CH](C)C(=O)N[CH](CCCCN)C(=O)N(C)[CH](Cc2c[nH]c3ccccc23)C(=O)N[CH](CC(=O)O1)c4ccc(O)cc4
InChi:InChI=1S/C38H51N5O6/c1-24-10-9-11-26(3)49-35(45)22-33(27-15-17-29(44)18-16-27)42-37(47)34(21-28-23-40-31-13-6-5-12-30(28)31)43(4)38(48)32(14-7-8-19-39)41-36(46)25(2)20-24/h5-6,10,12-13,15-18,23,25-26,32-34,40,44H,7-9,11,14,19-22,39H2,1-4H3,(H,41,46)(H,42,47)/b24-10+/t25-,26-,32-,33+,34+/m0/s1
Definition date:2017-08-07
Last modified:2018-06-08
Release date:2018-06-13
Identifier:(4~{R},7~{R},10~{S},13~{S},15~{E},19~{S})-10-(4-azanylbutyl)-4-(4-hydroxyphenyl)-7-(1~{H}-indol-3-ylmethyl)-8,13,15,19-tetramethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
9KW
9KW
Name:~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Formula:C24 H28 N4 O5 S
SMILES:CN1C(=O)C(=O)N(C)c2cc(N3CCOCC3)c(N[S](=O)(=O)c4ccc5CCCCc5c4)cc12
InChi:InChI=1S/C24H28N4O5S/c1-26-21-14-19(25-34(31,32)18-8-7-16-5-3-4-6-17(16)13-18)20(28-9-11-33-12-10-28)15-22(21)27(2)24(30)23(26)29/h7-8,13-15,25H,3-6,9-12H2,1-2H3
Definition date:2017-05-31
Last modified:2018-06-08
Release date:2018-06-13
Identifier:~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
EQG
EQG
Name:benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate
Formula:C37 H55 N7 O7
SMILES:C(NC(CCON/C(N)=N)C(NC(C(NC(C(O)CC(NCCc1ccccc1)=O)CC(C)C)=O)C2CCCCC2)=O)(OCc3ccccc3)=O
InChi:InChI=1S/C37H55N7O7/c1-25(2)22-30(31(45)23-32(46)40-20-18-26-12-6-3-7-13-26)41-35(48)33(28-16-10-5-11-17-28)43-34(47)29(19-21-51-44-36(38)39)42-37(49)50-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,25,28-31,33,45H,5,10-11,16-24H2,1-2H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H4,38,39,44)/t29-,30-,31-,33-/m0/s1
Definition date:2018-01-26
Last modified:2018-06-08
Release date:2018-06-13
Identifier:benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate
F0P
F0P
Name:(2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid
Formula:C24 H32 N8 O6
SMILES:c12ncnc(c1ncn2C3OC(C(C3O)O)CN(CCCC(N)C(O)=O)CCc4cccc(C(N)=O)c4)N
InChi:InChI=1S/C24H32N8O6/c25-15(24(36)37)5-2-7-31(8-6-13-3-1-4-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3-4,9,11-12,15-16,18-19,23,33-34H,2,5-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23+/m0/s1
Definition date:2018-02-23
Last modified:2018-06-08
Release date:2018-06-13
Identifier:(2S)-2-amino-5-({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}[2-(3-carbamoylphenyl)ethyl]amino)pentanoic acid (non-preferred name)
9VG
9VG
Name:methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
Formula:C29 H19 N O7
SMILES:COC(=O)[C@H]=C(C)C21C3Nc6c(C1(O2)C(C#CC=CC#C3)O)cc(c4c6C(c5c(C4=O)cccc5)=O)O
InChi:InChI=1S/C29H19NO7/c1-15(13-22(33)36-2)28-20-11-5-3-4-6-12-21(32)29(28,37-28)18-14-19(31)23-24(25(18)30-20)27(35)17-10-8-7-9-16(17)26(23)34/h3-4,7-10,13-14,20-21,30-32H,1-2H3/b4-3-,15-13+/t20-,21+,28-,29-/m0/s1
Definition date:2017-06-14
Last modified:2018-06-01
Release date:2018-06-06
Identifier:methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate
EHZ
EHZ
Name:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
Formula:C25 H49 N2 O9 P S
SMILES:CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
InChi:InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1
Definition date:2018-03-23
Last modified:2018-06-01
Release date:2018-06-06
Identifier:~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate
E82
E82
Name:3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
Formula:C24 H24 N2 O
SMILES:NCc1cccc(c1)c2cccc(c2)C(=O)N[CH]3CCCc4ccccc34
InChi:InChI=1S/C24H24N2O/c25-16-17-6-3-9-19(14-17)20-10-4-11-21(15-20)24(27)26-23-13-5-8-18-7-1-2-12-22(18)23/h1-4,6-7,9-12,14-15,23H,5,8,13,16,25H2,(H,26,27)/t23-/m0/s1
Definition date:2018-02-27
Last modified:2018-06-01
Release date:2018-06-06
Identifier:3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
F2W
F2W
Name:6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Formula:C12 H18 N O2
SMILES:COc1cc2CC[NH+](C)Cc2cc1OC
InChi:InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3/p+1
Definition date:2018-05-22
Last modified:2018-06-01
Release date:2018-06-06
Identifier:6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
RN3
RN3
Name:methyl {(6S)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate
Formula:C43 H45 Cl N8 O9 S
SMILES:n6c(C)n7c4c(c(c(C(=O)NCCCCCCCCNC(=O)COc1cccc2c1C(=O)N(C2=O)C3C(=O)NC(CC3)=O)s4)C)C(c5ccc(cc5)Cl)=NC(c7n6)CC(OC)=O
InChi:InChI=1S/C43H45ClN8O9S/c1-23-34-36(25-13-15-26(44)16-14-25)47-28(21-33(55)60-3)38-50-49-24(2)51(38)43(34)62-37(23)40(57)46-20-9-7-5-4-6-8-19-45-32(54)22-61-30-12-10-11-27-35(30)42(59)52(41(27)58)29-17-18-31(53)48-39(29)56/h10-16,28-29H,4-9,17-22H2,1-3H3,(H,45,54)(H,46,57)(H,48,53,56)/t28-,29-/m0/s1
Definition date:2017-11-17
Last modified:2018-05-25
Release date:2018-05-30
Identifier:methyl {(6S)-4-(4-chlorophenyl)-2-[(8-{[({2-[(3S)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}oxy)acetyl]amino}octyl)carbamoyl]-3,9-dimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl}acetate

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數據於2024-08-07公開中

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