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A1H4U

A1H4U
Name:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
Formula:	C27 H21 F3 N6 O
SMILES:	Cc1ccc(cc1C#Cc2cnc(NC3CC3)nc2)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5ccnc5
InChi:	InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)
Definition date:	2024-02-16
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[2-[2-(cyclopropylamino)pyrimidin-5-yl]ethynyl]-~{N}-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-benzamide

A1I1Y

A1I1Y
Name:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide
Formula:	C27 H25 F N6 O
SMILES:	CCc1ccccc1C(=O)Nc2n[nH]c3c(C)c(F)c(cc23)C4C(=C(C)N(C)C(=C4C#N)C)C#N
InChi:	InChI=1S/C27H25FN6O/c1-6-17-9-7-8-10-18(17)27(35)31-26-20-11-19(24(28)14(2)25(20)32-33-26)23-21(12-29)15(3)34(5)16(4)22(23)13-30/h7-11,23H,6H2,1-5H3,(H2,31,32,33,35)
Definition date:	2025-02-14
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	~{N}-[5-(3,5-dicyano-1,2,6-trimethyl-4~{H}-pyridin-4-yl)-6-fluoranyl-7-methyl-1~{H}-indazol-3-yl]-2-ethyl-benzamide

A1I5A

A1I5A
Name:	quinaprilat
Formula:	C23 H26 N2 O5
SMILES:	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2Cc3ccccc3C[CH]2C(O)=O
InChi:	InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1
Synonyms:	(3S)-2-[(2S)-2-[[(2S)-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Definition date:	2025-03-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-2-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxylic acid

A1I9U

A1I9U
Name:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
Formula:	C9 H14 O8
SMILES:	C[C]1(OC[CH]2O[CH](O)[CH](O)[CH](O)[CH]2O1)C(O)=O
InChi:	InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4+,5-,6-,7+,9-/m0/s1
Definition date:	2025-04-03
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S},4~{a}~{S},6~{R},7~{S},8~{R},8~{a}~{R})-2-methyl-6,7,8-tris(oxidanyl)-4,4~{a},6,7,8,8~{a}-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

A1IEF

A1IEF
Name:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea
Formula:	C19 H27 N7 O
SMILES:	CCN(Cc1ccncc1)c2cc(C)nc(n2)N3CCC[CH]3CNC(N)=O
InChi:	InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
Definition date:	2024-06-13
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-[[(2~{S})-1-[4-[ethyl(pyridin-4-ylmethyl)amino]-6-methyl-pyrimidin-2-yl]pyrrolidin-2-yl]methyl]urea

A1IF9

A1IF9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C20 H28 N10 O20 P4
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C20H28N10O20P4/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(46-18)1-44-51(36,37)48-53(40,41)50-54(42,43)49-52(38,39)45-2-7-11(32)13(34)19(47-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
Definition date:	2024-06-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

A1IFS

A1IFS
Name:	(2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide
Formula:	C17 H27 N5 O3 S
SMILES:	CNC(=O)[CH]1CCCN1c2nc(C)cc(n2)N(C)C[CH]3CC[S](=O)(=O)C3
InChi:	InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
Definition date:	2024-06-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{S})-1-[4-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-~{N}-methyl-pyrrolidine-2-carboxamide

A1IMO

A1IMO
Name:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione
Formula:	C25 H34 Cl N5 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(OC4CC(C)(C)N(O)C(C)(C)C4)nc12
InChi:	InChI=1S/C25H34ClN5O5/c1-24(2)13-18(14-25(3,4)31(24)35)36-22-27-20-19(30(22)15-16-7-9-17(26)10-8-16)21(33)29(11-6-12-32)23(34)28(20)5/h7-10,18,32,35H,6,11-15H2,1-5H3
Definition date:	2024-08-27
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)oxy-purine-2,6-dione

A1IS9

A1IS9
Name:	Sonepiprazole
Formula:	C21 H27 N3 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)N2CCN(CC[CH]3OCCc4ccccc34)CC2
InChi:	InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
Synonyms:	4-[4-[2-[(1S})-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide
Definition date:	2024-10-29
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	4-[4-[2-[(1~{S})-3,4-dihydro-1~{H}-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide

A1IX2

A1IX2
Name:	1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid
Formula:	C20 H28 N2 O4
SMILES:	OC(=O)C1CCN(CC1)c2cccc(OCC(=O)NC3CCCCC3)c2
InChi:	InChI=1S/C20H28N2O4/c23-19(21-16-5-2-1-3-6-16)14-26-18-8-4-7-17(13-18)22-11-9-15(10-12-22)20(24)25/h4,7-8,13,15-16H,1-3,5-6,9-12,14H2,(H,21,23)(H,24,25)
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-[3-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]phenyl]piperidine-4-carboxylic acid

A1IX3

A1IX3
Name:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C22 H27 N O4
SMILES:	OC(=O)CCc1ccc2ccc(OCC(=O)NC3CCCCCC3)cc2c1
InChi:	InChI=1S/C22H27NO4/c24-21(23-19-5-3-1-2-4-6-19)15-27-20-11-10-17-9-7-16(8-12-22(25)26)13-18(17)14-20/h7,9-11,13-14,19H,1-6,8,12,15H2,(H,23,24)(H,25,26)
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	3-[7-[2-(cycloheptylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXY

A1IXY
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H29 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)NC5CCCCC5)cc4c3
InChi:	InChI=1S/C28H29NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h6-14,22,24H,1-5,15-17H2,(H,29,30)(H,31,32)/t24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-(cyclohexylamino)-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1IXZ

A1IXZ
Name:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid
Formula:	C28 H27 N O6
SMILES:	OC(=O)C[CH](c1ccc2OCOc2c1)c3ccc4ccc(OCC(=O)N[CH]5CCCC=C5)cc4c3
InChi:	InChI=1S/C28H27NO6/c30-27(29-22-4-2-1-3-5-22)16-33-23-10-8-18-6-7-19(12-21(18)13-23)24(15-28(31)32)20-9-11-25-26(14-20)35-17-34-25/h2,4,6-14,22,24H,1,3,5,15-17H2,(H,29,30)(H,31,32)/t22-,24-/m0/s1
Definition date:	2025-01-07
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{S})-3-(1,3-benzodioxol-5-yl)-3-[7-[2-[[(1~{R})-cyclohex-2-en-1-yl]amino]-2-oxidanylidene-ethoxy]naphthalen-2-yl]propanoic acid

A1JME

A1JME
Name:	Castasterone
Formula:	C28 H48 O5
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
Synonyms:	(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{R},3~{S},5~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3-bis(oxidanyl)-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

A1JMF

A1JMF
Name:	Typhasterol
Formula:	C28 H48 O4
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC(=O)[CH]4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21+,22-,23+,25+,26+,27+,28+/m0/s1
Synonyms:	(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3~{R},5~{S},8~{S},9~{S},10~{R},13~{S},14~{R},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

A1JMI

A1JMI
Name:	6-deoxocastasterone
Formula:	C28 H50 O4
SMILES:	CC(C)[CH](C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23-,24+,25+,26+,27+,28-/m0/s1
Synonyms:	(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol
Definition date:	2025-08-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(2~{R},3~{S},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},17~{R})-17-[(2~{S},3~{R},4~{R},5~{S})-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthrene-2,3-diol

A1L5T

A1L5T
Name:	(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one
Formula:	C12 H10 F N3 O S
SMILES:	Nc1sc2[CH](CC(=O)Nc2n1)c3ccc(F)cc3
InChi:	InChI=1S/C12H10FN3OS/c13-7-3-1-6(2-4-7)8-5-9(17)15-11-10(8)18-12(14)16-11/h1-4,8H,5H2,(H2,14,16)(H,15,17)/t8-/m0/s1
Definition date:	2024-11-13
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(7~{S})-2-azanyl-7-(4-fluorophenyl)-6,7-dihydro-4~{H}-[1,3]thiazolo[4,5-b]pyridin-5-one

A1L65

A1L65
Name:	6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline
Formula:	C36 H37 F N6 O3
SMILES:	Cc1c(F)cc2[nH]ncc2c1c3c(cc4c(nc(OC5CCOCC5)nc4c3OCc6ccccc6)N7C[CH]8C[CH]7CN8)C9CC9
InChi:	InChI=1S/C36H37FN6O3/c1-20-29(37)15-30-28(17-39-42-30)31(20)32-26(22-7-8-22)14-27-33(34(32)45-19-21-5-3-2-4-6-21)40-36(46-25-9-11-44-12-10-25)41-35(27)43-18-23-13-24(43)16-38-23/h2-6,14-15,17,22-25,38H,7-13,16,18-19H2,1H3,(H,39,42)/t23-,24-/m0/s1
Definition date:	2024-12-25
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	6-cyclopropyl-4-[(1~{S},4~{S})-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoranyl-5-methyl-1~{H}-indazol-4-yl)-2-(oxan-4-yloxy)-8-phenylmethoxy-quinazoline

6IM

6IM
Name:	acetylamino coenzyme A
Formula:	C23 H39 N8 O17 P3
SMILES:	CC(=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChi:	InChI=1S/C23H39N8O17P3/c1-12(32)25-6-7-26-14(33)4-5-27-21(36)18(35)23(2,3)9-45-51(42,43)48-50(40,41)44-8-13-17(47-49(37,38)39)16(34)22(46-13)31-11-30-15-19(24)28-10-29-20(15)31/h10-11,13,16-18,22,34-35H,4-9H2,1-3H3,(H,25,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,24,28,29)(H2,37,38,39)/t13-,16-,17-,18+,22-/m1/s1
Synonyms:	(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
Definition date:	2021-08-09
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	(3R)-4-({3-[(2-acetamidoethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

EI2

EI2
Name:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H17 F3 N2 O
SMILES:	FC(F)(F)c1ccc(cc1)Nc1cccc2CN(Cc21)C(=O)CC
InChi:	InChI=1S/C18H17F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h3-9,22H,2,10-11H2,1H3
Synonyms:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2021-12-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{4-[4-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}propan-1-one

EI6

EI6
Name:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H23 F3 N2 O
SMILES:	FC(F)(F)c1ccc(cc1)NC1CCCC2CN(CC21)C(=O)CC
InChi:	InChI=1S/C18H23F3N2O/c1-2-17(24)23-10-12-4-3-5-16(15(12)11-23)22-14-8-6-13(7-9-14)18(19,20)21/h6-9,12,15-16,22H,2-5,10-11H2,1H3/t12-,15+,16+/m0/s1
Synonyms:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2021-12-06
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one

IU8

IU8
Name:	1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one
Formula:	C18 H15 F3 N2 O
SMILES:	FC(F)(F)c1cc(ccc1)Nc1cccc2cn(cc21)C(=O)CC
InChi:	InChI=1S/C18H15F3N2O/c1-2-17(24)23-10-12-5-3-8-16(15(12)11-23)22-14-7-4-6-13(9-14)18(19,20)21/h3-11,22H,2H2,1H3
Synonyms:	1-{4-[3-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindol-2-yl}prop-2-en-1-one, bound form
Definition date:	2022-01-28
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-{4-[3-(trifluoromethyl)anilino]-2H-isoindol-2-yl}propan-1-one

000

000
Name:	methyl hydrogen carbonate
Formula:	C2 H4 O3
SMILES:	O=C(O)OC
InChi:	InChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)
Definition date:	2010-04-27
Last modified:	2025-08-29
Identifier:	methyl hydrogen carbonate

SEP

SEP
Name:	PHOSPHOSERINE
Formula:	C3 H8 N O6 P
SMILES:	O=P(O)(O)OCC(C(=O)O)N
InChi:	InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
Synonyms:	PHOSPHONOSERINE
Definition date:	1999-07-08
Last modified:	2025-08-24
Identifier:	O-phosphono-L-serine

A1A1F

A1A1F
Name:	(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)
Formula:	C25 H42 N2 O7
SMILES:	CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(OCCC=CC1C)C(O)C(O)C2O
InChi:	InChI=1S/C25H42N2O7/c1-13(2)10-15-7-9-32-22-16(11-15)12-26-18(22)24(31)27-17-14(3)6-4-5-8-33-25-21(30)19(28)20(29)23(17)34-25/h4,6,13-23,25-26,28-30H,5,7-12H2,1-3H3,(H,27,31)/b6-4-/t14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,25+/m1/s1
Definition date:	2024-08-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1S,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-2,13-dioxabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)

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