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GE7
GE7
Name:(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
Formula:C23 H25 N O3
SMILES:O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c1ccc(C)cc1
InChi:InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)/t21-/m0/s1
Definition date:2021-12-20
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
GEI
GEI
Name:(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
Formula:C34 H43 F N2 O4
SMILES:Fc1ccc(cc1)CCOc1ccc(cc1)c1c(c(c(C)nc1C)C(OC(C)(C)C)C(=O)O)N1CCC(C)(C)CC1
InChi:InChI=1S/C34H43FN2O4/c1-22-28(25-10-14-27(15-11-25)40-21-16-24-8-12-26(35)13-9-24)30(37-19-17-34(6,7)18-20-37)29(23(2)36-22)31(32(38)39)41-33(3,4)5/h8-15,31H,16-21H2,1-7H3,(H,38,39)/t31-/m0/s1
Definition date:2021-12-20
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
I0O
I0O
Name:4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose
Formula:C50 H84 N O7 P
SMILES:OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1
Definition date:2022-01-04
Last modified:2022-04-01
Release date:2022-04-06
Identifier:4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose
I1T
I1T
Name:(1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
Formula:C15 H21 N2 O8 P
SMILES:O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O
InChi:InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1
Definition date:2022-01-06
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate
I2V
I2V
Name:(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
Formula:C7 H12 F N O2
SMILES:FCC1CC(CC1N)C(=O)O
InChi:InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1
Definition date:2022-01-07
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
N03
N03
Name:1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone
Formula:C20 H18 N4 O
SMILES:CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1c4ccccc4
InChi:InChI=1S/C20H18N4O/c1-11-17(12(2)25)18(13-6-4-3-5-7-13)19(22-11)20-23-15-9-8-14(21)10-16(15)24-20/h3-10,22H,21H2,1-2H3,(H,23,24)
Definition date:2021-04-06
Last modified:2022-04-01
Release date:2022-04-06
Identifier:1-[5-(5-azanyl-1~{H}-benzimidazol-2-yl)-2-methyl-4-phenyl-1~{H}-pyrrol-3-yl]ethanone
0K8
0K8
Name:Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
Formula:C50 H28 N8 O2 Ru
SMILES:[Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13
InChi:InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20
Synonyms:Ruthenium polypridyl complex
Definition date:2021-06-07
Last modified:2022-04-01
Release date:2022-04-06
7XB
7XB
Name:2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide
Formula:C21 H18 F5 N5 O4
SMILES:CNC(=O)CN1C(=O)N=C(Nc2ccc(OC(F)F)cc2C)N(Cc3cc(F)c(F)c(F)c3)C1=O
InChi:InChI=1S/C21H18F5N5O4/c1-10-5-12(35-18(25)26)3-4-15(10)28-19-29-20(33)31(9-16(32)27-2)21(34)30(19)8-11-6-13(22)17(24)14(23)7-11/h3-7,18H,8-9H2,1-2H3,(H,27,32)(H,28,29,33)
Definition date:2021-11-01
Last modified:2022-04-01
Release date:2022-04-06
Identifier:2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-~{N}-methyl-ethanamide
7YY
7YY
Name:6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Formula:C22 H17 Cl F3 N9 O2
SMILES:Cn1cnc(CN2C(=O)N=C(Nc3cc4cn(C)nc4cc3Cl)N(Cc5cc(F)c(F)cc5F)C2=O)n1
InChi:InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
Definition date:2021-11-04
Last modified:2022-04-01
Release date:2022-04-06
Identifier:6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
83I
83I
Name:ethyl 4-chloranyl-3-oxidanylidene-butanoate
Formula:C6 H9 Cl O3
SMILES:CCOC(=O)CC(=O)CCl
InChi:InChI=1S/C6H9ClO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3
Definition date:2021-11-19
Last modified:2022-04-01
Release date:2022-04-06
Identifier:ethyl 4-chloranyl-3-oxidanylidene-butanoate
2Q7
2Q7
Name:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:C27 H35 F2 N11 O4
SMILES:C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
Definition date:2021-06-30
Last modified:2022-04-01
Release date:2022-04-06
Identifier:N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
J3U
J3U
Name:(6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
Formula:C16 H20 O4
SMILES:O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1
Definition date:2021-04-01
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(6~{S},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
J46
J46
Name:4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
Formula:C20 H16 Br2 N2 O3 S
SMILES:Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1
InChi:InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
Definition date:2021-04-05
Last modified:2022-04-01
Release date:2022-04-06
Identifier:4-bromanyl-~{N}-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
J4R
J4R
Name:1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone
Formula:C23 H27 N7 O
SMILES:CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5cnn(C)c5
InChi:InChI=1S/C23H27N7O/c1-14-20(15(2)31)21(16-12-24-29(4)13-16)22(25-14)23-26-18-6-5-17(11-19(18)27-23)30-9-7-28(3)8-10-30/h5-6,11-13,25H,7-10H2,1-4H3,(H,26,27)
Definition date:2021-04-06
Last modified:2022-04-01
Release date:2022-04-06
Identifier:1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
J9O
J9O
Name:2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
Formula:C30 H31 Cl N4 O4
SMILES:CCOc1ccccc1N2C(=O)c3ccccc3N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5
InChi:InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3/t21-/m0/s1
Definition date:2021-04-30
Last modified:2022-04-01
Release date:2022-04-06
Identifier:2-[(1~{S})-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
LS6
LS6
Name:(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
Formula:C16 H22 N2 O2
SMILES:ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1
InChi:InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)
Definition date:2022-03-04
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
LSL
LSL
Name:N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
Formula:C13 H14 N2 O2 S
SMILES:ONC(=O)c1ccc(CNCc2ccsc2)cc1
InChi:InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)
Definition date:2022-03-04
Last modified:2022-04-01
Release date:2022-04-06
Identifier:N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
LTO
LTO
Name:(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
Formula:C18 H23 N3 O2
SMILES:ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23)CC1
InChi:InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+
Definition date:2022-03-04
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
8DE
8DE
Name:2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
Formula:C23 H19 N3 O3 S2
SMILES:O=C(Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2)C(c3ccccc3)c4ccccc4
InChi:InChI=1S/C23H19N3O3S2/c27-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)25-19-11-13-20(14-12-19)31(28,29)26-23-24-15-16-30-23/h1-16,21H,(H,24,26)(H,25,27)
Definition date:2021-12-08
Last modified:2022-04-01
Release date:2022-04-06
Identifier:2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide
L8C
L8C
Name:N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:C13 H19 N3 O2
SMILES:ONC(=O)c1ccc(cc1)CN1CCN(C)CC1
InChi:InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)
Definition date:2022-02-28
Last modified:2022-04-01
Release date:2022-04-06
Identifier:N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
966
966
Name:[(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Formula:C35 H49 N O9
SMILES:CCN1C[C]2(CC[CH](OC)[C]34[CH]5C[C]6(O)[CH](C[C](OC(C)=O)([CH]([CH](OC)[CH]23)[CH]14)[CH]5[CH]6C(=O)c7ccc(OC)cc7)OC)COC
InChi:InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,29-,30-,31-,32+,33+,34-,35+/m1/s1
Synonyms:Bulleyaconitine A
Definition date:2022-01-06
Last modified:2022-04-01
Release date:2022-04-06
6EI
6EI
Name:(4-methylphenyl) hydrogen sulfate
Formula:C7 H8 O4 S
SMILES:Cc1ccc(O[S](O)(=O)=O)cc1
InChi:InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
Synonyms:p-Cresol sulfate
Definition date:2021-07-26
Last modified:2022-04-01
Release date:2022-04-06
Identifier:(4-methylphenyl) hydrogen sulfate
BQ6
BQ6
Name:4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide
Formula:C21 H23 F N4 O4 S
SMILES:N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1Cc2cc(C)c(F)cc2OC1
InChi:InChI=1S/C21H23FN4O4S/c1-12-4-14-5-15(8-30-18(14)7-17(12)22)25-31(28,29)19-6-16(13(2)24-19)20(27)26-10-21(3,9-23)11-26/h4,6-7,15,24-25H,5,8,10-11H2,1-3H3/t15-/m0/s1
Definition date:2021-11-18
Last modified:2022-04-01
Release date:2022-04-06
Identifier:4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide
05Y
05Y
Name:~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
Formula:C17 H18 N4 O
SMILES:CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3
InChi:InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22)
Definition date:2021-06-03
Last modified:2022-04-01
Release date:2022-04-06
Identifier:~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide
06D
06D
Name:1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
Formula:C14 H19 N O2
SMILES:CCC(=O)N1CCC[CH]1c2ccc(OC)cc2
InChi:InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1
Definition date:2021-06-03
Last modified:2022-04-01
Release date:2022-04-06
Identifier:1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

225681

數據於2024-10-02公開中

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