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LGO
LGO
Name:4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide
Formula:C22 H20 N6 O5 S2
SMILES:NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1ccccc1
InChi:InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29)
Definition date:2023-08-15
Last modified:2024-11-22
Release date:2024-11-27
Identifier:4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-sulfonamide
A1L3Q
A1L3Q
Name:CpY
Formula:C17 H25 N O2
SMILES:CCN(CC)[CH](CO)c1cccc2c(C)c(CC)oc12
InChi:InChI=1S/C17H25NO2/c1-5-16-12(4)13-9-8-10-14(17(13)20-16)15(11-19)18(6-2)7-3/h8-10,15,19H,5-7,11H2,1-4H3/t15-/m0/s1
Synonyms:(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
Definition date:2024-08-16
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
A1L3Z
A1L3Z
Name:(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol
Formula:C6 H13 N O4
SMILES:OC[CH](O)[CH]1NC[CH](O)[CH]1O
InChi:InChI=1S/C6H13NO4/c8-2-4(10)5-6(11)3(9)1-7-5/h3-11H,1-2H2/t3-,4+,5-,6+/m0/s1
Definition date:2024-08-22
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(2~{S},3~{S},4~{S})-2-[(1~{S})-1,2-bis(oxidanyl)ethyl]pyrrolidine-3,4-diol
A1LWE
A1LWE
Name:[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:C11 H18 N5 O14 P3
SMILES:CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N
InChi:InChI=1S/C11H18N5O14P3/c1-26-7-6(17)4(2-27-32(22,23)30-33(24,25)29-31(19,20)21)28-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1
Definition date:2024-01-15
Last modified:2024-11-22
Release date:2024-11-27
Identifier:[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
A1LXY
A1LXY
Name:~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
Formula:C24 H28 N2 O3
SMILES:CCN(CC)C(=O)c1ccc(cc1)C2=CC3(CCNCC3)Oc4cccc(O)c24
InChi:InChI=1S/C24H28N2O3/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21/h5-11,16,25,27H,3-4,12-15H2,1-2H3
Definition date:2024-02-06
Last modified:2024-11-22
Release date:2024-11-27
Identifier:~{N},~{N}-diethyl-4-(5-oxidanylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
A1BDA
A1BDA
Name:5-chloro-2,3-dihydro-1H-inden-1-one
Formula:C9 H7 Cl O
SMILES:Clc1ccc2C(=O)CCc2c1
InChi:InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
Synonyms:5-chloro-1-indanone
Definition date:2024-10-14
Last modified:2024-11-22
Release date:2024-11-27
Identifier:5-chloro-2,3-dihydro-1H-inden-1-one
A1BDB
A1BDB
Name:(3S)-piperidine-3-carboxylic acid
Formula:C6 H11 N O2
SMILES:O=C(O)C1CCCNC1
InChi:InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
Definition date:2024-10-14
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(3S)-piperidine-3-carboxylic acid
A1BDU
A1BDU
Name:(1H-indol-5-yl)methanol
Formula:C9 H9 N O
SMILES:OCc1cc2cc[NH]c2cc1
InChi:InChI=1S/C9H9NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-5,10-11H,6H2
Definition date:2024-10-18
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(1H-indol-5-yl)methanol
A1BDV
A1BDV
Name:(2H-1,3-benzodioxol-5-yl)methanol
Formula:C8 H8 O3
SMILES:OCc1ccc2OCOc2c1
InChi:InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
Synonyms:piperonyl alcohol
Definition date:2024-10-18
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(2H-1,3-benzodioxol-5-yl)methanol
A1BDW
A1BDW
Name:(1,4-phenylene)dimethanol
Formula:C8 H10 O2
SMILES:OCc1ccc(CO)cc1
InChi:InChI=1S/C8H10O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4,9-10H,5-6H2
Definition date:2024-10-18
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(1,4-phenylene)dimethanol
A1BDX
A1BDX
Name:(1-benzofuran-5-yl)methanol
Formula:C9 H8 O2
SMILES:OCc1cc2ccoc2cc1
InChi:InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
Definition date:2024-10-18
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(1-benzofuran-5-yl)methanol
A1BFA
A1BFA
Name:4-acetylpiperazine-1-carboxamide
Formula:C7 H13 N3 O2
SMILES:O=C(N)N1CCN(CC1)C(C)=O
InChi:InChI=1S/C7H13N3O2/c1-6(11)9-2-4-10(5-3-9)7(8)12/h2-5H2,1H3,(H2,8,12)
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:4-acetylpiperazine-1-carboxamide
A1BFB
A1BFB
Name:2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate
Formula:C14 H14 O4
SMILES:CC(=O)Oc1ccc2c(c1)OC(=O)C=C2CCC
InChi:InChI=1S/C14H14O4/c1-3-4-10-7-14(16)18-13-8-11(17-9(2)15)5-6-12(10)13/h5-8H,3-4H2,1-2H3
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:2-oxo-4-propyl-2H-1-benzopyran-7-yl acetate
A1BFC
A1BFC
Name:3-(2-methylpropanamido)benzamide
Formula:C11 H14 N2 O2
SMILES:O=C(Nc1cc(ccc1)C(N)=O)C(C)C
InChi:InChI=1S/C11H14N2O2/c1-7(2)11(15)13-9-5-3-4-8(6-9)10(12)14/h3-7H,1-2H3,(H2,12,14)(H,13,15)
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:3-(2-methylpropanamido)benzamide
A1BFF
A1BFF
Name:N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide
Formula:C9 H18 N2 O3 S
SMILES:O=C(C)N1CCCC(CNS(C)(=O)=O)C1
InChi:InChI=1S/C9H18N2O3S/c1-8(12)11-5-3-4-9(7-11)6-10-15(2,13)14/h9-10H,3-7H2,1-2H3
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:N-{[(3S)-1-acetylpiperidin-3-yl]methyl}methanesulfonamide
A1BFQ
A1BFQ
Name:1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol
Formula:C7 H8 N4 O
SMILES:Oc1nncc2c1n(C)nc2C
InChi:InChI=1S/C7H8N4O/c1-4-5-3-8-9-7(12)6(5)11(2)10-4/h3H,1-2H3,(H,9,12)
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:1,3-dimethyl-1H-pyrazolo[3,4-d]pyridazin-7-ol
A1BFR
A1BFR
Name:(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:C10 H18 N2 O3
SMILES:CN(C)C(=O)N1CCOCC21COCC2
InChi:InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m0/s1
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(5S)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
A1BFU
A1BFU
Name:1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine
Formula:C8 H16 N2 O3 S
SMILES:O=S(=O)(N1CC(OC)C1)N1CCCC1
InChi:InChI=1S/C8H16N2O3S/c1-13-8-6-10(7-8)14(11,12)9-4-2-3-5-9/h8H,2-7H2,1H3
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:1-(3-methoxyazetidine-1-sulfonyl)pyrrolidine
A1BFV
A1BFV
Name:(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone
Formula:C10 H15 F N2 O2
SMILES:O=C(N1CC(F)=CCC1)N1CCOCC1
InChi:InChI=1S/C10H15FN2O2/c11-9-2-1-3-13(8-9)10(14)12-4-6-15-7-5-12/h2H,1,3-8H2
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(5-fluoro-3,6-dihydropyridin-1(2H)-yl)(morpholin-4-yl)methanone
A1BFY
A1BFY
Name:N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide
Formula:C10 H19 N O3 S
SMILES:CS(=O)(=O)NC1CC2(CCCC2)OCC1
InChi:InChI=1S/C10H19NO3S/c1-15(12,13)11-9-4-7-14-10(8-9)5-2-3-6-10/h9,11H,2-8H2,1H3
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:N-[(9S)-6-oxaspiro[4.5]decan-9-yl]methanesulfonamide
A1BFZ
A1BFZ
Name:N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide
Formula:C8 H15 N3 O2 S
SMILES:Cn1ncc(C(C)NS(C)(=O)=O)c1C
InChi:InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3
Definition date:2024-11-04
Last modified:2024-11-22
Release date:2024-11-27
Identifier:N-[(1R)-1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]methanesulfonamide
A1D5V
A1D5V
Name:(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
Formula:C34 H59 N O15
SMILES:CCCC[CH](C)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C[CH](C)C[CH](O)CCCC[CH](O)C[CH](O)[CH](C)N)OC(=O)C[CH](CC(O)=O)C(O)=O
InChi:InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
Synonyms:Fumonisin b1
Definition date:2024-02-01
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-19-azanyl-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
A1D74
A1D74
Name:(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
Formula:C60 H109 N O16
SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC
InChi:InChI=1S/C60H109NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36-53(65)61-46(5)51(64)43-50(63)35-32-31-34-49(62)37-44(3)38-52(76-56(70)41-47(59(72)73)39-54(66)67)58(45(4)33-9-7-2)77-57(71)42-48(60(74)75)40-55(68)69/h44-52,58,62-64H,6-43H2,1-5H3,(H,61,65)(H,66,67)(H,68,69)(H,72,73)(H,74,75)/t44-,45+,46-,47+,48+,49+,50+,51-,52-,58+/m0/s1
Definition date:2024-04-29
Last modified:2024-11-22
Release date:2024-11-27
Identifier:(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexacosanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid
VU4
VU4
Name:4-(2-aminoethyl)benzoic acid
Formula:C9 H11 N O2
SMILES:C(=O)(O)c1ccc(cc1)CCN
InChi:InChI=1S/C9H11NO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6,10H2,(H,11,12)
Definition date:2020-09-14
Last modified:2024-11-19
Release date:2021-10-06
Identifier:4-(2-aminoethyl)benzoic acid
GR2
GR2
Name:(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Formula:C17 H14 O5
SMILES:c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4
InChi:InChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1
Definition date:2015-09-02
Last modified:2024-11-19
Release date:2015-10-28
Identifier:(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

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건을2025-10-29부터공개중

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