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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

A1A3B

A1A3B
Name:	{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid
Formula:	C15 H18 F N2 O4 P
SMILES:	O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)N1CCCC1
InChi:	InChI=1S/C15H18FN2O4P/c1-17-13-8-14(18-4-2-3-5-18)12(16)7-11(13)10(6-15(17)19)9-23(20,21)22/h6-8H,2-5,9H2,1H3,(H2,20,21,22)
Definition date:	2024-08-23
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	{[6-fluoro-1-methyl-2-oxo-7-(pyrrolidin-1-yl)-1,2-dihydroquinolin-4-yl]methyl}phosphonic acid

A1BI8

A1BI8
Name:	1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid
Formula:	C29 H29 Cl N2 O5
SMILES:	O=C(O)C1(CC1)c1cc(ccc1Cl)NC(=O)c1c(C)cc(cc1C)OCC1CN(C)c2ccccc2O1
InChi:	InChI=1S/C29H29ClN2O5/c1-17-12-20(36-16-21-15-32(3)24-6-4-5-7-25(24)37-21)13-18(2)26(17)27(33)31-19-8-9-23(30)22(14-19)29(10-11-29)28(34)35/h4-9,12-14,21H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t21-/m0/s1
Definition date:	2024-12-05
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	1-[2-chloro-5-(2,6-dimethyl-4-{[(2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]methoxy}benzamido)phenyl]cyclopropane-1-carboxylic acid

A1BLZ

A1BLZ
Name:	2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide
Formula:	C19 H18 F6 N2 O3 S2
SMILES:	O=S(=O)(c1ccc(cn1)C(F)(F)F)C(C)(C)C(=O)NCCSc1ccccc1C(F)(F)F
InChi:	InChI=1S/C19H18F6N2O3S2/c1-17(2,32(29,30)15-8-7-12(11-27-15)18(20,21)22)16(28)26-9-10-31-14-6-4-3-5-13(14)19(23,24)25/h3-8,11H,9-10H2,1-2H3,(H,26,28)
Definition date:	2024-12-17
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	2-methyl-N-(2-{[2-(trifluoromethyl)phenyl]sulfanyl}ethyl)-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propanamide

A1CC9

A1CC9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate
Formula:	C18 H26 N4 O23 P4
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O
InChi:	InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8?,11-,12?,13-,14?,15-,16?/m1/s1
Definition date:	2025-05-19
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(3~{S},4~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate

A1CCP

A1CCP
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-[[[[(3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid
Formula:	C21 H30 N10 O18 P4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(=O)O[P](O)(=O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O
InChi:	InChI=1S/C21H30N10O18P4/c22-16-10-18(26-3-24-16)30(5-28-10)20-14(34)12(32)8(46-20)1-44-52(40,41)48-50(36,37)7-51(38,39)49-53(42,43)45-2-9-13(33)15(35)21(47-9)31-6-29-11-17(23)25-4-27-19(11)31/h3-6,8-9,12-15,20-21,32-35H,1-2,7H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H2,22,24,26)(H2,23,25,27)/t8-,9?,12-,13?,14-,15?,20-,21?/m1/s1
Definition date:	2025-05-14
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]oxy-[[[[(3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methyl]phosphinic acid

A1CD7

A1CD7
Name:	advantame
Formula:	C24 H30 N2 O7
SMILES:	Oc1cc(ccc1OC)CCCNC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)OC
InChi:	InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1
Synonyms:	methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate
Definition date:	2025-05-26
Last modified:	2025-08-29
Release date:	2025-09-03
Identifier:	methyl N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalaninate

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

A1ERZ

A1ERZ
Name:	(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol
Formula:	C9 H10 N2 O
SMILES:	C[CH](O)c1[nH]c2ccccc2n1
InChi:	InChI=1S/C9H10N2O/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)/t6-/m0/s1
Definition date:	2025-06-16
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(1~{S})-1-(1~{H}-benzimidazol-2-yl)ethanol

A1EVL

A1EVL
Name:	(3S,11R)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
Formula:	C11 H16 O2
SMILES:	O[CH]1C[CH]2[CH]3C[CH](O)[CH]4[CH]3C[CH]2[CH]14
InChi:	InChI=1S/C11H16O2/c12-8-2-4-5-3-9(13)11-7(5)1-6(4)10(8)11/h4-13H,1-3H2/t4-,5+,6+,7-,8-,9+,10+,11-
Definition date:	2025-08-13
Last modified:	2025-08-22
Release date:	2025-08-27

A1I4U

A1I4U
Name:	Deoxynivalenol-13-glutathione
Formula:	C25 H37 N3 O12 S
SMILES:	CC1=C[CH]2O[CH]3[CH](O)C[C](C)([C]3(O)CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[C]24CO[C]1(O)[CH]4O
InChi:	InChI=1S/C25H37N3O12S/c1-11-5-15-23(9-39-25(11,38)21(23)36)22(2)6-14(29)18(40-15)24(22,37)10-41-8-13(19(33)27-7-17(31)32)28-16(30)4-3-12(26)20(34)35/h5,12-15,18,21,29,36-38H,3-4,6-10,26H2,1-2H3,(H,27,33)(H,28,30)(H,31,32)(H,34,35)/t12-,13-,14+,15+,18+,21-,22+,23+,24-,25+/m0/s1
Definition date:	2025-02-26
Last modified:	2025-08-22
Release date:	2025-08-27

A1I5T

A1I5T
Name:	~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine
Formula:	C23 H22 F4 N6 O
SMILES:	CN([CH](CCN1CCCC1)c2ccccn2)c3oc(nn3)c4c[nH]c5c(F)c(F)c(F)c(F)c45
InChi:	InChI=1S/C23H22F4N6O/c1-32(15(14-6-2-3-8-28-14)7-11-33-9-4-5-10-33)23-31-30-22(34-23)13-12-29-21-16(13)17(24)18(25)19(26)20(21)27/h2-3,6,8,12,15,29H,4-5,7,9-11H2,1H3/t15-/m1/s1
Definition date:	2025-03-11
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-methyl-~{N}-[(1~{R})-1-pyridin-2-yl-3-pyrrolidin-1-yl-propyl]-5-[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]-1,3,4-oxadiazol-2-amine

A1I6I

A1I6I
Name:	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide
Formula:	C17 H19 F4 N3 O3 S
SMILES:	CN(C)[S](=O)(=O)C[CH]1CCCN(C1)C(=O)c2c[nH]c3c(F)c(F)c(F)c(F)c23
InChi:	InChI=1S/C17H19F4N3O3S/c1-23(2)28(26,27)8-9-4-3-5-24(7-9)17(25)10-6-22-16-11(10)12(18)13(19)14(20)15(16)21/h6,9,22H,3-5,7-8H2,1-2H3/t9-/m0/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N},~{N}-dimethyl-1-[(3~{S})-1-[[4,5,6,7-tetrakis(fluoranyl)-1~{H}-indol-3-yl]carbonyl]piperidin-3-yl]methanesulfonamide

A1I6J

A1I6J
Name:	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide
Formula:	C18 H16 F4 N4 O3
SMILES:	Fc1c(F)c(F)c2c([nH]cc2C(=O)NN3C(=O)N[CH](C4CCCCC4)C3=O)c1F
InChi:	InChI=1S/C18H16F4N4O3/c19-10-9-8(6-23-15(9)13(22)12(21)11(10)20)16(27)25-26-17(28)14(24-18(26)29)7-4-2-1-3-5-7/h6-7,14,23H,1-5H2,(H,24,29)(H,25,27)/t14-/m1/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide

A1I6K

A1I6K
Name:	~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide
Formula:	C25 H33 N5 O4
SMILES:	CNC(=O)C[CH](NC(=O)[CH]1CCC[CH]1NC(=O)c2n[nH]c3CCCCc23)c4ccccc4OC
InChi:	InChI=1S/C25H33N5O4/c1-26-22(31)14-20(15-8-4-6-13-21(15)34-2)28-24(32)17-10-7-12-18(17)27-25(33)23-16-9-3-5-11-19(16)29-30-23/h4,6,8,13,17-18,20H,3,5,7,9-12,14H2,1-2H3,(H,26,31)(H,27,33)(H,28,32)(H,29,30)/t17-,18-,20+/m1/s1
Definition date:	2025-03-18
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(1~{R},2~{R})-2-[[(1~{S})-1-(2-methoxyphenyl)-3-(methylamino)-3-oxidanylidene-propyl]carbamoyl]cyclopentyl]-4,5,6,7-tetrahydro-1~{H}-indazole-3-carboxamide

A1IJE

A1IJE
Name:	(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid
Formula:	C16 H17 N3 O6
SMILES:	N[CH](CCC(O)=O)C1=N[CH](C=C2C=CC(=O)C=C2)C(=O)N1CC(O)=O
InChi:	InChI=1S/C16H17N3O6/c17-11(5-6-13(21)22)15-18-12(16(25)19(15)8-14(23)24)7-9-1-3-10(20)4-2-9/h1-4,7,11-12H,5-6,8,17H2,(H,21,22)(H,23,24)/t11-,12?/m0/s1
Definition date:	2024-07-29
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(4~{S})-4-azanyl-4-[1-(2-hydroxy-2-oxoethyl)-5-oxidanylidene-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4~{H}-imidazol-2-yl]butanoic acid

QCF

QCF
Name:	3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one
Formula:	C9 H13 N O S
SMILES:	CN(C)CCC(=O)c1sccc1
InChi:	InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3
Synonyms:	AAEK1
Definition date:	2024-01-22
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	3-(dimethylamino)-1-thiophen-2-yl-propan-1-one

A1JDF

A1JDF
Name:	~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide
Formula:	C26 H25 F N6 O3 S
SMILES:	Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S](=O)(=O)c5cc(C)c6n[nH]cc6c5
InChi:	InChI=1S/C26H25FN6O3S/c1-14-8-19(9-17-11-29-31-24(14)17)37(35,36)23-10-22(32(3)15(23)2)26(34)28-13-20-21(27)7-4-16-12-30-33(25(16)20)18-5-6-18/h4,7-12,18H,5-6,13H2,1-3H3,(H,28,34)(H,29,31)
Definition date:	2025-05-15
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide

A1AQZ

A1AQZ
Name:	(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione
Formula:	C18 H21 N O6
SMILES:	Cc1cc(O)c(C)c2OC3C(NC(=O)c12)=C(C)C(=O)C(O)C3(C)OC
InChi:	InChI=1S/C18H21NO6/c1-7-6-10(20)8(2)14-11(7)17(23)19-12-9(3)13(21)15(22)18(4,24-5)16(12)25-14/h6,15-16,20,22H,1-5H3,(H,19,23)/t15-,16+,18+/m1/s1
Synonyms:	XC208
Definition date:	2024-05-08
Last modified:	2025-08-22
Release date:	2025-08-27
Identifier:	(5aS,6S,7S)-3,7-dihydroxy-6-methoxy-1,4,6,9-tetramethyl-6,7-dihydrodibenzo[b,f][1,4]oxazepine-8,11(5aH,10H)-dione

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