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W3K
W3K
Name:N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline
Formula:C16 H17 N3
SMILES:CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2
InChi:InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
Definition date:2023-09-16
Last modified:2024-10-04
Release date:2024-10-09
Identifier:~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline
X2T
X2T
Name:(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one
Formula:C16 H15 Cl2 N O3
SMILES:C[CH]1N(C2CC2)C(=O)C(=C1C(=O)c3ccc(Cl)c(C)c3Cl)O
InChi:InChI=1S/C16H15Cl2NO3/c1-7-11(17)6-5-10(13(7)18)14(20)12-8(2)19(9-3-4-9)16(22)15(12)21/h5-6,8-9,21H,3-4H2,1-2H3/t8-/m1/s1
Definition date:2023-10-20
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2~{R})-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2~{H}-pyrrol-5-one
X3C
X3C
Name:6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
Formula:C21 H19 Cl N4 O5
SMILES:Cn1nc(C)cc1N2C(=O)N(C)c3cc(c(Cl)cc3C2=O)C(=O)C4=C(O)CCCC4=O
InChi:InChI=1S/C21H19ClN4O5/c1-10-7-17(25(3)23-10)26-20(30)12-8-13(22)11(9-14(12)24(2)21(26)31)19(29)18-15(27)5-4-6-16(18)28/h7-9,27H,4-6H2,1-3H3
Definition date:2023-10-20
Last modified:2024-10-04
Release date:2024-10-09
Identifier:6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione
X6N
X6N
Name:[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate
Formula:C7 H15 O9 P
SMILES:CO[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O
InChi:InChI=1S/C7H15O9P/c1-14-6-4(9)5(16-17(11,12)13)3(2-8)15-7(6)10/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4+,5-,6+,7?/m1/s1
Definition date:2023-10-24
Last modified:2024-10-04
Release date:2024-10-09
Identifier:[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate
WAW
WAW
Name:N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide
Formula:C22 H19 F N6 O
SMILES:Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12
InChi:InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1
Definition date:2023-09-29
Last modified:2024-10-04
Release date:2024-10-09
Identifier:N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide
ZUY
ZUY
Name:9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine
Formula:C19 H21 N5 S
SMILES:Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C
InChi:InChI=1S/C19H21N5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)25-16-13(3)9-12(2)10-14(16)4/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
Definition date:2023-04-05
Last modified:2024-10-04
Release date:2024-10-09
Identifier:9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine
WGN
WGN
Name:(2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid
Formula:C17 H34 O2 S
SMILES:CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O
InChi:InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16-/m1/s1
Definition date:2023-10-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2~{S},3~{R})-3-dodecylsulfanyl-2-methyl-butanoic acid
WH8
WH8
Name:(2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid
Formula:C17 H34 O2 S
SMILES:CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O
InChi:InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16+/m1/s1
Definition date:2023-10-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2~{S},3~{S})-3-dodecylsulfanyl-2-methyl-butanoic acid
WHT
WHT
Name:(2~{R})-2-azanyl-3-phosphono-propanoic acid
Formula:C3 H8 N O5 P
SMILES:N[CH](C[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
Definition date:2023-10-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2~{R})-2-azanyl-3-phosphono-propanoic acid
WIW
WIW
Name:(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Formula:C26 H24 N2 O7 S
SMILES:COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4ncccn4)c5cc6OCOc6cc25
InChi:InChI=1S/C26H24N2O7S/c1-30-19-7-13(8-20(31-2)23(19)32-3)21-14-9-17-18(35-12-34-17)10-15(14)24(16-11-33-25(29)22(16)21)36-26-27-5-4-6-28-26/h4-10,16,21-22,24H,11-12H2,1-3H3/t16-,21+,22-,24+/m0/s1
Definition date:2023-10-05
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
WIZ
WIZ
Name:3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid
Formula:C25 H23 Br N4 O5
SMILES:C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2
InChi:InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1
Definition date:2023-10-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid
0IL
0IL
Name:(3R)-3-(tetradecanoyloxy)tetradecanoic acid
Formula:C28 H54 O4
SMILES:O=C(O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC
InChi:InChI=1S/C28H54O4/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(31)32-26(25-27(29)30)23-21-19-17-15-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m1/s1
Definition date:2012-07-10
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(3R)-3-(tetradecanoyloxy)tetradecanoic acid
6CI
6CI
Name:5-[3-(2-methoxy-5-oxidanyl-phenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethyl-pyridine-3-carboxamide
Formula:C22 H20 N4 O3
SMILES:COc1ccc(O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:InChI=1S/C22H20N4O3/c1-26(2)22(28)15-6-13(9-23-10-15)14-7-18-19(12-25-21(18)24-11-14)17-8-16(27)4-5-20(17)29-3/h4-12,27H,1-3H3,(H,24,25)
Definition date:2023-02-06
Last modified:2024-10-04
Release date:2024-10-09
Identifier:5-[3-(2-methoxy-5-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide
A1A4M
A1A4M
Name:(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one
Formula:C23 H21 F4 N5 O3
SMILES:FC(F)(F)C(C)C1=NN(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:InChI=1S/C23H21F4N5O3/c1-4-30-19(11-33)28-32(22(30)35)18-10-14-15(9-16(18)24)21(34)31(17-8-6-5-7-12(17)2)29-20(14)13(3)23(25,26)27/h5-10,13,33H,4,11H2,1-3H3/t13-/m1/s1
Definition date:2024-09-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one
A1A4N
A1A4N
Name:(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one
Formula:C23 H24 F N5 O3
SMILES:CC(C)C1=NN(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:InChI=1S/C23H24FN5O3/c1-5-27-20(12-30)25-29(23(27)32)19-11-15-16(10-17(19)24)22(31)28(26-21(15)13(2)3)18-9-7-6-8-14(18)4/h6-11,13,30H,5,12H2,1-4H3
Definition date:2024-09-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one
A1A4O
A1A4O
Name:(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one
Formula:C24 H27 F N4 O3
SMILES:CC(C)N1CC(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:InChI=1S/C24H27FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-11,14,18,30H,5,12-13H2,1-4H3/t18-/m1/s1
Definition date:2024-09-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one
A1A4P
A1A4P
Name:(3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one
Formula:C24 H25 F N4 O3
SMILES:CC(C)N1C=C(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:InChI=1S/C24H25FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-12,14,30H,5,13H2,1-4H3
Definition date:2024-09-04
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one
A1IAU
A1IAU
Name:2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid
Formula:C13 H11 N O4
SMILES:Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2
InChi:InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)
Synonyms:2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
Definition date:2024-05-09
Last modified:2024-10-04
Release date:2024-10-09
Identifier:2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid
A1IAV
A1IAV
Name:2-azanyl-5-(4-fluorophenyl)benzoic acid
Formula:C13 H10 F N O2
SMILES:Nc1ccc(cc1C(O)=O)c2ccc(F)cc2
InChi:InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17)
Synonyms:2-amino-5-(4-fluorophenyl)benzoic acid
Definition date:2024-05-09
Last modified:2024-10-04
Release date:2024-10-09
Identifier:2-azanyl-5-(4-fluorophenyl)benzoic acid
A1IAX
A1IAX
Name:2-azanyl-3-nitro-benzoic acid
Formula:C7 H6 N2 O4
SMILES:Nc1c(cccc1[N+]([O-])=O)C(O)=O
InChi:InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)
Synonyms:2-amino-3-nitrobenzoic acid
Definition date:2024-05-09
Last modified:2024-10-04
Release date:2024-10-09
Identifier:2-azanyl-3-nitro-benzoic acid
A1IAY
A1IAY
Name:2-azanyl-5-(3-hydroxyphenyl)benzoic acid
Formula:C13 H11 N O3
SMILES:Nc1ccc(cc1C(O)=O)c2cccc(O)c2
InChi:InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)
Synonyms:2-amino-5-(3-hydroxyphenyl)benzoic acid
Definition date:2024-05-09
Last modified:2024-10-04
Release date:2024-10-09
Identifier:2-azanyl-5-(3-hydroxyphenyl)benzoic acid
A1IF6
A1IF6
Name:(2~{R},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid
Formula:C22 H34 N5 O15 P
SMILES:C[CH](O)[CH](NC(C)=O)[CH]1O[C](C[CH](O)[CH]1NC(C)=O)(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O
InChi:InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1
Definition date:2024-06-27
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(2~{R},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid
A1IGB
A1IGB
Name:amide modified swainsonine-configured alkyl indolizidine
Formula:C14 H27 N2 O4
SMILES:CCCCCNC(=O)[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCC[NH+]12
InChi:InChI=1S/C14H26N2O4/c1-2-3-4-7-15-14(20)11-13(19)12(18)10-9(17)6-5-8-16(10)11/h9-13,17-19H,2-8H2,1H3,(H,15,20)/p+1/t9-,10-,11+,12+,13-/m1/s1
Synonyms:(1S,2R,3S,8R,8aR)-1,2,8-tris(oxidanyl)-N-pentyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-3-carboxamide
Definition date:2024-06-27
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(1~{S},2~{R},3~{S},8~{R},8~{a}~{R})-1,2,8-tris(oxidanyl)-~{N}-pentyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-indolizin-4-ium-3-carboxamide
A1IGC
A1IGC
Name:swainsonine-configured alkyl indolizidine
Formula:C15 H29 N O3
SMILES:CCCCCCC[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCCN12
InChi:InChI=1S/C15H29NO3/c1-2-3-4-5-6-8-11-14(18)15(19)13-12(17)9-7-10-16(11)13/h11-15,17-19H,2-10H2,1H3/t11?,12-,13-,14-,15+/m1/s1
Synonyms:(1S,2R,8R,8aR)-3-heptyl-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
Definition date:2024-06-27
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(1~{S},2~{R},8~{R},8~{a}~{R})-3-heptyl-1,2,3,5,6,7,8,8~{a}-octahydroindolizine-1,2,8-triol
A1IHR
A1IHR
Name:cryptophycin-uD[Dab]
Formula:C34 H43 Cl N4 O7
SMILES:COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CCN)NC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl
InChi:InChI=1S/C34H43ClN4O7/c1-20(29-30(46-29)22-9-6-5-7-10-22)26-11-8-12-28(40)38-25(18-21-13-14-27(44-4)23(35)17-21)31(41)37-19-34(2,3)33(43)39-24(15-16-36)32(42)45-26/h5-10,12-14,17,20,24-26,29-30H,11,15-16,18-19,36H2,1-4H3,(H,37,41)(H,38,40)(H,39,43)/b12-8+/t20-,24-,25+,26-,29+,30+/m0/s1
Synonyms:(3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone
Definition date:2024-07-09
Last modified:2024-10-04
Release date:2024-10-09
Identifier:(3~{S},10~{R},13~{E},16~{S})-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone

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건을2024-10-16부터공개중

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