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CWY
CWY
Name:(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Formula:C16 H18 N2 O6
SMILES:OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O
InChi:InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1
Definition date:2017-10-05
Last modified:2018-04-20
Release date:2018-04-25
Identifier:(1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
E92
E92
Name:~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:C16 H10 Cl N O3
SMILES:Clc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:InChI=1S/C16H10ClNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:2018-03-05
Last modified:2018-04-20
Release date:2018-04-25
Identifier:~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide
E98
E98
Name:~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
Formula:C16 H10 F N O3
SMILES:Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1
InChi:InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)
Definition date:2018-03-06
Last modified:2018-04-20
Release date:2018-04-25
Identifier:~{N}-(3-fluorophenyl)-4-oxidanylidene-chromene-3-carboxamide
DVW
DVW
Name:five-coordinate platinum(II) compound
Formula:C27 H31 N7 O5 Pt
SMILES:Cn1cncc1c2cn(nn2)C3OC(O)C(O)C(O)C3O.Cc4ccc5ccc6ccc(C)nc6c5n4.C7C[Pt]7
InChi:InChI=1S/C14H12N2.C11H15N5O5.C2H4.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:2018-02-02
Last modified:2018-04-20
Release date:2018-04-25
DW5
DW5
Name:five-coordinate platinum(II) compound
Formula:C17 H15 N2 Pt
SMILES:CC.C[Pt].Cc1ccc2ccc3ccc(C)nc3c2n1
InChi:InChI=1S/C14H12N2.C2H4.CH3.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:2018-02-02
Last modified:2018-04-20
Release date:2018-04-25
JLO
JLO
Name:(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
Formula:C18 H21 N O
SMILES:c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O
InChi:InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+
Definition date:2018-01-24
Last modified:2018-04-20
Release date:2018-04-25
Identifier:(2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
EVM
EVM
Name:L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]
Formula:C11 H14 N2 O8 P
SMILES:C(O)(=O)[C-](N=Cc1c(c(ncc1COP(O)(O)=O)C)O)CO
InChi:InChI=1S/C11H14N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2-3,14-15H,4-5H2,1H3,(H,16,17)(H2,18,19,20)/q-1/b13-3+
Definition date:2018-02-02
Last modified:2018-04-20
Release date:2018-04-25
Identifier:1-carboxy-2-hydroxy-1-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethan-1-ide
8C3
8C3
Name:N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
Formula:C18 H25 N5 O2 S
SMILES:CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=O
InChi:InChI=1S/C18H25N5O2S/c1-4-21(5-2)9-6-8-19-17(24)12-22-18(25)15-11-16-14(7-10-26-16)23(15)13(3)20-22/h7,10-11H,4-6,8-9,12H2,1-3H3,(H,19,24)
Definition date:2017-06-07
Last modified:2018-04-20
Release date:2018-04-25
Identifier:~{N}-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide
8E3
8E3
Name:6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:C15 H13 F N4 O2
SMILES:NC(=O)c1cc(F)cc2[nH]c(nc12)c3oc4CNCCc4c3
InChi:InChI=1S/C15H13FN4O2/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
8E6
8E6
Name:6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:C15 H13 F N4 O S
SMILES:NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CCNCc4c3
InChi:InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)12-3-7-6-18-2-1-11(7)22-12/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
8EC
8EC
Name:6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
Formula:C15 H13 F N4 O S
SMILES:NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CNCCc4c3
InChi:InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20)
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide
8EF
8EF
Name:2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
Formula:C12 H20 N4 O7 P2 S
SMILES:Cc1ncc(CN2CS[CH](CCO[P](O)(=O)O[P](O)(O)=O)C2=C)c(N)n1
InChi:InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,1,3-4,6-7H2,2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)/t11-/m0/s1
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate
8EL
8EL
Name:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:C12 H20 N4 O7 P2 S
SMILES:Cc1ncc(CN2CSC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5H,3-4,6-7H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
8EO
8EO
Name:2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Formula:C12 H21 N4 O7 P2 S
SMILES:Cc1ncc(C[N+]2=C(C)[CH](CCO[P](O)(=O)O[P](O)(O)=O)SC2)c(N)n1
InChi:InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,3-4,6-7H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1/t11-/m0/s1
Definition date:2017-06-20
Last modified:2018-04-20
Release date:2018-04-25
Identifier:2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2,5-dihydro-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
8FL
8FL
Name:2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:C12 H20 N4 O8 P2 S
SMILES:Cc1ncc(CN2[CH](O)SC(=C2C)CCO[P](O)(=O)O[P](O)(O)=O)c(N)n1
InChi:InChI=1S/C12H20N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5,12,17H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)/t12-/m1/s1
Definition date:2017-06-27
Last modified:2018-04-20
Release date:2018-04-25
Identifier:2-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2~{H}-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
F6B
F6B
Name:N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:C14 H12 F2 N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2c(cccc2F)F)S(N)(=O)=O
InChi:InChI=1S/C14H12F2N2O3S/c15-12-2-1-3-13(16)11(12)8-18-14(19)9-4-6-10(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
Definition date:2000-10-27
Last modified:2018-04-18
Identifier:N-[(2,6-difluorophenyl)methyl]-4-sulfamoylbenzamide
FFB
FFB
Name:N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:C14 H9 F5 N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O
InChi:InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)
Definition date:2000-10-30
Last modified:2018-04-18
Identifier:N-[(pentafluorophenyl)methyl]-4-sulfamoylbenzamide
FSB
FSB
Name:N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Formula:C14 H13 F N2 O3 S
SMILES:c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O
InChi:InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
Definition date:2000-10-13
Last modified:2018-04-18
Identifier:N-[(2-fluorophenyl)methyl]-4-sulfamoylbenzamide
JM1
JM1
Name:FLUORINATED PYRIDOCARBAZOLE CYCLOPENTADIENYL RU(CO) COMPLEX
Formula:C23 H12 F N3 O3 Ru
SMILES:Fc6cn%11[Ru]4132(C5C1C2C3C45)(C#[O+])n9c8c%11c(c6)c7c(C(NC7=O)=O)c8c%10c9cccc%10
InChi:InChI=1S/C17H8FN3O2.C5H5.CO.Ru/c18-7-5-9-12-13(17(23)21-16(12)22)11-8-3-1-2-4-10(8)20-15(11)14(9)19-6-7
Definition date:2007-01-17
Last modified:2018-04-18
Identifier:carbonyl[(1,2,3,4,5-eta)-cyclopentadienyl](3-fluoro-5,7-dioxo-6,7-dihydro-5H-pyrido[2,3-a]pyrrolo[3,4-c]carbazol-12-ide-kappa~2~N~1~,N~12~)ruthenium(1+)
1MA
1MA
Name:6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
Formula:C11 H16 N5 O7 P
SMILES:P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23
InChi:InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1
Definition date:1999-07-08
Last modified:2018-04-17
Identifier:1-methyladenosine 5'-(dihydrogen phosphate)
V2C
V2C
Name:methyl 3-chloro-2-(2-(1-(2-ethoxybenzyl)-1 H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate
Formula:C22 H23 Cl N2 O5
SMILES:Oc1cc(O)c(c(c1C(=O)OC)CCc2nccn2Cc3ccccc3OCC)Cl
InChi:InChI=1S/C22H23ClN2O5/c1-3-30-18-7-5-4-6-14(18)13-25-11-10-24-19(25)9-8-15-20(22(28)29-2)16(26)12-17(27)21(15)23/h4-7,10-12,26-27H,3,8-9,13H2,1-2H3
Definition date:2017-08-28
Last modified:2018-04-13
Release date:2018-04-18
Identifier:methyl 3-chloro-2-(2-{1-[(2-ethoxyphenyl)methyl]-1H-imidazol-2-yl}ethyl)-4,6-dihydroxybenzoate
S18
S18
Name:[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper
Formula:C26 H37 Cu N9 O2 S
SMILES:[Cu]N=[N+]=[NH-].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCN(CCc3ccccn3)CCc4ccccn4
InChi:InChI=1S/C26H36N6O2S.Cu.HN3/c33-24(10-2-1-9-23-25-22(19-35-23)30-26(34)31-25)29-15-18-32(16-11-20-7-3-5-13-27-20)17-12-21-8-4-6-14-28-21
Definition date:2017-05-02
Last modified:2018-04-13
Release date:2018-04-18
VC4
VC4
Name:methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
Formula:C22 H20 Cl N O4
SMILES:Oc1cc(O)c(c(c1C(=O)OC)CCc3c(Cc2ccccc2)nccc3)Cl
InChi:InChI=1S/C22H20ClNO4/c1-28-22(27)20-16(21(23)19(26)13-18(20)25)10-9-15-8-5-11-24-17(15)12-14-6-3-2-4-7-14/h2-8,11,13,25-26H,9-10,12H2,1H3
Definition date:2017-08-28
Last modified:2018-04-13
Release date:2018-04-18
Identifier:methyl 2-[2-(2-benzylpyridin-3-yl)ethyl]-3-chloro-4,6-dihydroxybenzoate
S31
S31
Name:[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
Formula:C27 H39 Cu N9 O3 S
SMILES:O.[Cu]N=[N+]=[NH-].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3ccccn3)CCc4ccccn4
InChi:InChI=1S/C27H38N6O2S.Cu.HN3.H2O/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22
Definition date:2017-05-02
Last modified:2018-04-13
Release date:2018-04-18
S32
S32
Name:[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
Formula:C27 H38 Cu N6 O3 S
SMILES:O=C1NC2CSC(C2N1)CCCCC(NCCCN45CCc3ccccn3[Cu]4(n6c(CC5)cccc6)O)=O
InChi:InChI=1S/C27H38N6O2S.Cu.H2O/c34-25(11-2-1-10-24-26-23(20-36-24)31-27(35)32-26)30-16-7-17-33(18-12-21-8-3-5-14-28-21)19-13-22-9-4-6-15-29-22
Definition date:2017-05-02
Last modified:2018-04-13
Release date:2018-04-18
Identifier:[N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper

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