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A1H6Z
A1H6Z
Name:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal
Formula:C8 H11 N3 O2
SMILES:N[CH](Cc1ccc(N)nc1)C(O)=O
InChi:InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1
Definition date:2024-03-27
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid
A1H7V
A1H7V
Name:(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:C18 H35 F O5
SMILES:CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F
InChi:InChI=1S/C18H35FO5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-15(19)17(22)16(21)14(13-20)24-18/h14-18,20-22H,2-13H2,1H3/t14-,15-,16-,17-,18-/m1/s1
Synonyms:N-[1-[(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
Definition date:2024-04-05
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
A1L4E
A1L4E
Name:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:C13 H6 F7 N O2
SMILES:Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1
InChi:InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2
Definition date:2024-09-26
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1L4F
A1L4F
Name:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:C22 H23 F7 N2 O3
SMILES:Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
InChi:InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2
Definition date:2024-09-26
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1A3E
A1A3E
Name:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Formula:C11 H14 Cl N5
SMILES:Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC
InChi:InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1
Definition date:2024-08-23
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
A1A6L
A1A6L
Name:N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(2-ethylhydrazine-1-carbonyl)phenyl]methyl}benzamide
Formula:C28 H33 N5 O3
SMILES:CN(C)c1ccc(cc1)C(=O)N(Cc1ccc(cc1)C(=O)NNCC)CC(=O)NCc1ccccc1
InChi:InChI=1S/C28H33N5O3/c1-4-30-31-27(35)23-12-10-22(11-13-23)19-33(20-26(34)29-18-21-8-6-5-7-9-21)28(36)24-14-16-25(17-15-24)32(2)3/h5-17,30H,4,18-20H2,1-3H3,(H,29,34)(H,31,35)
Definition date:2024-09-13
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(2-ethylhydrazine-1-carbonyl)phenyl]methyl}benzamide
A1AFF
A1AFF
Name:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
Formula:C13 H18 N2 O2 S2
SMILES:O=S(=O)(N1CCC(N1)c1ccccc1)C1CCCS1
InChi:InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1
Definition date:2024-02-23
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
A1IHO
A1IHO
Name:1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
Formula:C21 H21 F5 N4 O2
SMILES:Fc1ccc(cc1F)N2C(=O)CCCC23CCN(CC3)c4cc(OCC(F)(F)F)ncn4
InChi:InChI=1S/C21H21F5N4O2/c22-15-4-3-14(10-16(15)23)30-19(31)2-1-5-20(30)6-8-29(9-7-20)17-11-18(28-13-27-17)32-12-21(24,25)26/h3-4,10-11,13H,1-2,5-9,12H2
Definition date:2024-07-09
Last modified:2025-02-21
Release date:2025-02-26
Identifier:1-[3,4-bis(fluoranyl)phenyl]-9-[6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]-1,9-diazaspiro[5.5]undecan-2-one
A1IHS
A1IHS
Name:1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
Formula:C24 H26 N4 O
SMILES:O=C1CCCC2(CCN(CC2)c3cnc4ccccc4n3)N1Cc5ccccc5
InChi:InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2
Definition date:2024-07-09
Last modified:2025-02-21
Release date:2025-02-26
Identifier:1-(phenylmethyl)-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
A1IUA
A1IUA
Name:alpha-damascone
Formula:C13 H20 O
SMILES:CC=CC(=O)[CH]1C(=CCCC1(C)C)C
InChi:InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7-8,12H,6,9H2,1-4H3/b7-5+/t12-/m0/s1
Synonyms:(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Definition date:2024-11-14
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(~{E})-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
A1IUB
A1IUB
Name:alpha-ionone
Formula:C13 H20 O
SMILES:CC(=O)C=C[CH]1C(=CCCC1(C)C)C
InChi:InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+/t12-/m0/s1
Synonyms:(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Definition date:2024-11-14
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(~{E})-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
A1IYU
A1IYU
Name:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
Formula:C18 H16 N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3C
InChi:InChI=1S/C18H16N2O3S/c1-11-5-3-4-6-13(11)19-18-20-17(22)16(24-18)10-12-7-8-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
Definition date:2025-01-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
A1IYV
A1IYV
Name:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
Formula:C18 H16 N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3
InChi:InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Definition date:2025-01-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
A1IYY
A1IYY
Name:(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C17 H13 F N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(F)c3
InChi:InChI=1S/C17H13FN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
Definition date:2025-01-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{Z},5~{Z})-2-(3-fluorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
A1IYZ
A1IYZ
Name:(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
Formula:C17 H13 Cl N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(Cl)c3
InChi:InChI=1S/C17H13ClN2O3S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)20-17(24-15)19-12-4-2-3-11(18)9-12/h2-9,21H,1H3,(H,19,20,22)/b15-8-
Synonyms:CGP 53820
Definition date:2025-01-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{Z},5~{Z})-2-(3-chlorophenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
A1L0U
A1L0U
Name:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
Formula:C9 H11 N3 O4
SMILES:Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C9H11N3O4/c1-4-8(15)7(12-5(2)11-4)9(16)10-3-6(13)14/h15H,3H2,1-2H3,(H,10,16)(H,13,14)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
A1L0V
A1L0V
Name:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
Formula:C15 H14 F N3 O4
SMILES:Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
A1L0X
A1L0X
Name:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
Formula:C21 H19 N3 O4
SMILES:Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O
InChi:InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
V55
V55
Name:4-hydroxy-3-methoxybenzaldehyde
Formula:C8 H8 O3
SMILES:O=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Synonyms:p-vanillin
Definition date:2008-04-29
Last modified:2025-02-21
Identifier:4-hydroxy-3-methoxybenzaldehyde
AKR
AKR
Name:ACRYLIC ACID
Formula:C3 H4 O2
SMILES:O=C(O)C=C
InChi:InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Definition date:2000-11-28
Last modified:2025-02-21
Identifier:prop-2-enoic acid
XI9
XI9
Name:(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
Formula:C8 H8 N6
SMILES:[NH]1nc(c2nnn[NH]2)c2CC3CC3c12
InChi:InChI=1S/C8H8N6/c1-3-2-5-6(4(1)3)9-10-7(5)8-11-13-14-12-8/h3-4H,1-2H2,(H,9,10)(H,11,12,13,14)/t3-,4-/m1/s1
Definition date:2023-11-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3M,4aR,5aR)-3-(1H-tetrazol-5-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole
XOT
XOT
Name:(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid
Formula:C8 H8 N2 O2
SMILES:O=C(O)c1n[NH]c2C3CC3Cc21
InChi:InChI=1S/C8H8N2O2/c11-8(12)7-5-2-3-1-4(3)6(5)9-10-7/h3-4H,1-2H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
Synonyms:MK 1903
Definition date:2023-11-06
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(4aR,5aR)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxylic acid
YFU
YFU
Name:1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
Formula:C32 H40 N4 O4
SMILES:CCN1CCN(CC(=O)[CH]2Cc3ccccc3CN2)C(=O)c4ccc(cc14)C(=O)N5CCC6(CC5)CC(C6)OC
InChi:InChI=1S/C32H40N4O4/c1-3-34-14-15-36(21-29(37)27-16-22-6-4-5-7-24(22)20-33-27)31(39)26-9-8-23(17-28(26)34)30(38)35-12-10-32(11-13-35)18-25(19-32)40-2/h4-9,17,25,27,33H,3,10-16,18-21H2,1-2H3/t27-/m0/s1
Definition date:2023-11-30
Last modified:2025-02-21
Release date:2025-02-26
Identifier:1-ethyl-8-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)carbonyl]-4-[2-oxidanylidene-2-[(3~{S})-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2,3-dihydro-1,4-benzodiazepin-5-one
3CN
3CN
Name:3-AMINOPROPANE
Formula:C3 H9 N
SMILES:NCCC
InChi:InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
Definition date:1999-11-01
Last modified:2025-02-19
Identifier:propan-1-amine
MYR
MYR
Name:MYRISTIC ACID
Formula:C14 H28 O2
SMILES:O=C(O)CCCCCCCCCCCCC
InChi:InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
Definition date:1999-07-07
Last modified:2025-02-18
Identifier:tetradecanoic acid

236060

건을2025-05-14부터공개중

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