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I3T
I3T
Name:(2S,5S,8S)-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C30 H35 N3 O3
SMILES:CC(C)C[CH]1N2[CH](Cc3c1[nH]c4cc(OC5CCCC5)ccc34)C(=O)N[CH](Cc6ccccc6)C2=O
InChi:InChI=1S/C30H35N3O3/c1-18(2)14-26-28-23(22-13-12-21(16-24(22)31-28)36-20-10-6-7-11-20)17-27-29(34)32-25(30(35)33(26)27)15-19-8-4-3-5-9-19/h3-5,8-9,12-13,16,18,20,25-27,31H,6-7,10-11,14-15,17H2,1-2H3,(H,32,34)/t25-,26-,27-/m0/s1
Definition date:2023-07-26
Last modified:2024-11-01
Release date:2024-11-06
Identifier:(2~{S},5~{S},8~{S})-14-cyclopentyloxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
V0U
V0U
Name:(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C26 H29 N3 O3
SMILES:COc1ccc2c([nH]c3[CH](CC(C)C)N4[CH](Cc23)C(=O)N[CH](Cc5ccccc5)C4=O)c1
InChi:InChI=1S/C26H29N3O3/c1-15(2)11-22-24-19(18-10-9-17(32-3)13-20(18)27-24)14-23-25(30)28-21(26(31)29(22)23)12-16-7-5-4-6-8-16/h4-10,13,15,21-23,27H,11-12,14H2,1-3H3,(H,28,30)
Definition date:2023-09-07
Last modified:2024-11-01
Release date:2024-11-06
Identifier:(2~{S},5~{S},8~{S})-14-methoxy-2-(2-methylpropyl)-5-(phenylmethyl)-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene-4,7-dione
JW0
JW0
Name:(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Formula:C24 H41 O7 P
SMILES:C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](CC[C]4(C)[CH]3C[CH](O)[C]12C)O[P](O)(O)=O
InChi:InChI=1S/C24H41O7P/c1-14(4-9-22(26)27)18-7-8-19-17-6-5-15-12-16(31-32(28,29)30)10-11-23(15,2)20(17)13-21(25)24(18,19)3/h14-21,25H,4-13H2,1-3H3,(H,26,27)(H2,28,29,30)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Definition date:2023-08-10
Last modified:2024-11-01
Release date:2024-11-06
Identifier:(4~{R})-4-[(3~{R},5~{R},8~{R},9~{S},10~{S},12~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-12-oxidanyl-3-phosphonooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoic acid
COD
COD
Name:DEPHOSPHO COENZYME A
Formula:C21 H35 N7 O13 P2 S
SMILES:O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1
Definition date:1999-07-29
Last modified:2024-10-29
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)
Y7B
Y7B
Name:2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
Formula:C24 H26 N4 O3
SMILES:CC(=O)N1CCc2[nH]c3ccc(cc3c2C1)C(=O)Nc4ccc(cc4)N5CCOCC5
InChi:InChI=1S/C24H26N4O3/c1-16(29)28-9-8-23-21(15-28)20-14-17(2-7-22(20)26-23)24(30)25-18-3-5-19(6-4-18)27-10-12-31-13-11-27/h2-7,14,26H,8-13,15H2,1H3,(H,25,30)
Definition date:2023-11-23
Last modified:2024-10-25
Release date:2024-10-30
Identifier:2-ethanoyl-~{N}-(4-morpholin-4-ylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
A1AHR
A1AHR
Name:(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide
Formula:C38 H46 N6 O5
SMILES:NCC1CCC(CC1)C(=O)NC1Cc2ccc(cc2)c2cc(NC(=O)CNC(=O)CCCNC(=O)Cc3ccc(cc3)NC1=O)c(C)cc2
InChi:InChI=1S/C38H46N6O5/c1-24-4-11-30-21-32(24)43-36(47)23-41-34(45)3-2-18-40-35(46)20-26-9-16-31(17-10-26)42-38(49)33(19-25-5-12-28(30)13-6-25)44-37(48)29-14-7-27(22-39)8-15-29/h4-6,9-13,16-17,21,27,29,33H,2-3,7-8,14-15,18-20,22-23,39H2,1H3,(H,40,46)(H,41,45)(H,42,49)(H,43,47)(H,44,48)/t27-,29-,33-/m0/s1
Definition date:2024-03-11
Last modified:2024-10-25
Release date:2024-10-30
Identifier:(1r,4S)-4-(aminomethyl)-N-[(24S)-5-methyl-8,11,16,23-tetraoxo-7,10,15,22-tetraazatetracyclo[24.2.2.2~18,21~.1~2,6~]tritriaconta-1(28),2(33),3,5,18,20,26,29,31-nonaen-24-yl]cyclohexane-1-carboxamide
A1H9B
A1H9B
Name:(R)-2-(2-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl)-2-(9-oxo-9H-fluorene-4-carboxamido)acetate
Formula:C32 H26 N2 O7 S
SMILES:COc1ccc(cc1)[S](=O)(=O)N2CCc3ccc(cc3C2)[CH](NC(=O)c4cccc5C(=O)c6ccccc6c45)C(O)=O
InChi:InChI=1S/C32H26N2O7S/c1-41-22-11-13-23(14-12-22)42(39,40)34-16-15-19-9-10-20(17-21(19)18-34)29(32(37)38)33-31(36)27-8-4-7-26-28(27)24-5-2-3-6-25(24)30(26)35/h2-14,17,29H,15-16,18H2,1H3,(H,33,36)(H,37,38)/t29-/m1/s1
Synonyms:(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
Definition date:2024-04-24
Last modified:2024-10-25
Release date:2024-10-30
Identifier:(2~{R})-2-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-2-[(9-oxidanylidenefluoren-4-yl)carbonylamino]ethanoic acid
A1BDF
A1BDF
Name:(5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
Formula:C9 H11 N3
SMILES:c1nc2CC3CCC(N3)c2cn1
InChi:InChI=1S/C9H11N3/c1-2-8-7-4-10-5-11-9(7)3-6(1)12-8/h4-6,8,12H,1-3H2
Definition date:2024-10-15
Last modified:2024-10-25
Release date:2024-10-30
Identifier:(5R,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidine
A1LXU
A1LXU
Name:5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione
Formula:C14 H20 N4 O8
SMILES:CC(=O)CN1C(=O)CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC(=O)N2
InChi:InChI=1S/C14H20N4O8/c1-6(20)2-18-9(23)4-17(3-7(21)11(24)8(22)5-19)12-10(18)13(25)16-14(26)15-12/h7-8,11,19,21-22,24H,2-5H2,1H3,(H2,15,16,25,26)/t7-,8+,11-/m0/s1
Definition date:2024-02-05
Last modified:2024-10-25
Release date:2024-10-30
Identifier:5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione
XQ8
XQ8
Name:Geniposidic acid
Formula:C16 H22 O10
SMILES:OC[CH]1O[CH](O[CH]2OC=C([CH]3CC=C(CO)[CH]23)C(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
Definition date:2023-11-08
Last modified:2024-10-25
Release date:2024-10-30
Identifier:(1~{S},4~{a}~{S},7~{a}~{S})-7-(hydroxymethyl)-1-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,4~{a},5,7~{a}-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Z53
Z53
Name:(6S,9aS)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:C31 H35 F3 N4 O3
SMILES:CC[CH](C)[CH]1N2[CH](CN(Cc3cc4ccccc4c5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-22-17-21-9-4-5-10-23(21)25-12-7-6-11-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1
Synonyms:2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid
Definition date:2023-02-10
Last modified:2024-10-18
Release date:2024-10-23
Identifier:(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-8-(phenanthren-9-ylmethyl)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide
YDT
YDT
Name:N-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
Formula:C22 H22 F N5 O4 S
SMILES:Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3occc23)[S](=O)(=O)N4CCc5[nH]ncc5C4
InChi:InChI=1S/C22H22FN5O4S/c1-13-21(33(30,31)28-7-5-18-14(12-28)10-25-26-18)9-19(27(13)2)22(29)24-11-16-15-6-8-32-20(15)4-3-17(16)23/h3-4,6,8-10H,5,7,11-12H2,1-2H3,(H,24,29)(H,25,26)
Definition date:2023-12-03
Last modified:2024-10-18
Release date:2024-10-23
Identifier:~{N}-[(5-fluoranyl-1-benzofuran-4-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
WBW
WBW
Name:(6S,9aS)-8-(anthracen-9-ylmethyl)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:C31 H35 F3 N4 O3
SMILES:CC[CH](C)[CH]1N2[CH](CN(Cc3c4ccccc4cc5ccccc35)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:InChI=1S/C31H35F3N4O3/c1-3-20(2)28-29(40)36(18-25-23-11-6-4-9-21(23)17-22-10-5-7-12-24(22)25)19-26-37(16-13-27(39)38(26)28)30(41)35-15-8-14-31(32,33)34/h4-7,9-12,17,20,26,28H,3,8,13-16,18-19H2,1-2H3,(H,35,41)/t20-,26+,28-/m0/s1
Definition date:2023-02-10
Last modified:2024-10-18
Release date:2024-10-23
Identifier:(6~{S},9~{a}~{S})-8-(anthracen-9-ylmethyl)-6-[(2~{S})-butan-2-yl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide
XFU
XFU
Name:5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one
Formula:C25 H24 F4 N4 O
SMILES:Fc1cccc(CN2CCC3=C(C2)C(=O)N(Cc4ccc(cc4)C(F)(F)F)C5=NCCCN35)c1
InChi:InChI=1S/C25H24F4N4O/c26-20-4-1-3-18(13-20)14-31-12-9-22-21(16-31)23(34)33(24-30-10-2-11-32(22)24)15-17-5-7-19(8-6-17)25(27,28)29/h1,3-8,13H,2,9-12,14-16H2
Definition date:2023-11-01
Last modified:2024-10-18
Release date:2024-10-23
Identifier:5-[(3-fluorophenyl)methyl]-9-[[4-(trifluoromethyl)phenyl]methyl]-1,5,9,11-tetrazatricyclo[8.4.0.0^{2,7}]tetradeca-2(7),10-dien-8-one
A1BBV
A1BBV
Name:N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
Formula:C26 H23 N3 O3
SMILES:N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC
InChi:InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30)
Definition date:2024-10-01
Last modified:2024-10-11
Release date:2024-10-16
Identifier:N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
A1AUQ
A1AUQ
Name:(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:C23 H29 N7 O4 S2
SMILES:O=S(=O)(c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)C1CCNCC1
InChi:InChI=1S/C23H29N7O4S2/c24-36(33,34)22-20(35(31,32)18-9-13-26-14-10-18)6-5-19(21(22)23-27-29-30-28-23)17-3-1-15(2-4-17)16-7-11-25-12-8-16/h1-6,16,18,25-26H,7-14H2,(H2,24,33,34)(H,27,28,29,30)
Definition date:2024-06-07
Last modified:2024-10-11
Release date:2024-10-16
Identifier:(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
KDU
KDU
Name:(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
Formula:C19 H14 Cl2 N6 O
SMILES:Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
InChi:InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)
Definition date:2023-08-10
Last modified:2024-10-11
Release date:2024-10-16
Identifier:(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
KE3
KE3
Name:3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine
Formula:C13 H13 Cl2 N5
SMILES:Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1
InChi:InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1
Definition date:2023-08-10
Last modified:2024-10-11
Release date:2024-10-16
Identifier:3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine
VI4
VI4
Name:13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Formula:C26 H24 N4 O3
SMILES:C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47
InChi:InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1
Definition date:2023-07-22
Last modified:2024-10-11
Release date:2024-10-16
WT8
WT8
Name: 7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci
Formula:C13 H23 N3 O7
SMILES:C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O
InChi:InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1
Definition date:2023-10-12
Last modified:2024-10-11
Release date:2024-10-16
Identifier:6-(1-acetamido-2-oxidanyl-propyl)-5-(ethanimidoylamino)-2,4-bis(oxidanyl)oxane-2-carboxylic acid
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
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
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
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
ZI3
ZI3
Name:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
Formula:C22 H23 Cl N2 O3
SMILES:O=C(NC1(COC1)c1ccc(Cl)cc1)c1cccc2N(CCCc21)C(=O)CC
InChi:InChI=1S/C22H23ClN2O3/c1-2-20(26)25-12-4-6-17-18(5-3-7-19(17)25)21(27)24-22(13-28-14-22)15-8-10-16(23)11-9-15/h3,5,7-11H,2,4,6,12-14H2,1H3,(H,24,27)
Definition date:2023-06-23
Last modified:2024-09-27
Release date:2023-07-05
Identifier:N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide

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건을2025-07-09부터공개중

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