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A1I3V

A1I3V
Name:	1-[(2~{S},3~{a}~{R},6~{a}~{R})-2-methyl-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-pyrrolo[3,4-b]pyrrol-1-yl]-2,2-dimethyl-propan-1-one
Formula:	C12 H22 N2 O
SMILES:	C[CH]1C[CH]2CNC[CH]2N1C(=O)C(C)(C)C
InChi:	InChI=1S/C12H22N2O/c1-8-5-9-6-13-7-10(9)14(8)11(15)12(2,3)4/h8-10,13H,5-7H2,1-4H3
Definition date:	2025-02-18
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	1-[(2~{S},3~{a}~{R},6~{a}~{R})-2-methyl-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-pyrrolo[3,4-b]pyrrol-1-yl]-2,2-dimethyl-propan-1-one

A1I7Y

A1I7Y
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(3-sulfanylphenyl)pentanamide
Formula:	C16 H21 N3 O2 S2
SMILES:	Sc1cccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)c1
InChi:	InChI=1S/C16H21N3O2S2/c20-14(17-10-4-3-5-11(22)8-10)7-2-1-6-13-15-12(9-23-13)18-16(21)19-15/h3-5,8,12-13,15,22H,1-2,6-7,9H2,(H,17,20)(H2,18,19,21)/t12-,13-,15-/m0/s1
Definition date:	2025-03-25
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(3-sulfanylphenyl)pentanamide

JP6

JP6
Name:	2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Formula:	C15 H16 Cl N5 O
SMILES:	CCCC1=Nc2nc(NCc3ccc(Cl)cc3)nn2C(=O)C1
InChi:	InChI=1S/C15H16ClN5O/c1-2-3-12-8-13(22)21-15(18-12)19-14(20-21)17-9-10-4-6-11(16)7-5-10/h4-7H,2-3,8-9H2,1H3,(H,17,20)
Definition date:	2022-05-06
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	2-[(4-chlorophenyl)methylamino]-5-propyl-6~{H}-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

A1IYB

A1IYB
Name:	(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-9-yl]piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C60 H77 Br N9 O8 S
SMILES:	CN(C)C1(CC1)C(=O)N[CH](C(=O)N2C[CH](O)C[CH]2C(=O)N[CH](COCCN3CCC(CC3)c4cc5c(cc4OC[CH]6CCCO6)n7c(NC(=O)c8c(Br)cccc78)[n+]5C9CCCC9)c%10ccc(cc%10)c%11scnc%11C)C(C)(C)C
InChi:	InChI=1S/C60H76BrN9O8S/c1-36-52(79-35-62-36)39-18-16-38(17-19-39)45(63-54(72)49-29-41(71)32-68(49)56(74)53(59(2,3)4)64-57(75)60(22-23-60)66(5)6)34-76-28-26-67-24-20-37(21-25-67)43-30-47-48(31-50(43)78-33-42-13-10-27-77-42)70-46-15-9-14-44(61)51(46)55(73)65-58(70)69(47)40-11-7-8-12-40/h9,14-19,30-31,35,37,40-42,45,49,53,71H,7-8,10-13,20-29,32-34H2,1-6H3,(H2,63,64,72,75)/p+1/t41-,42+,45+,49+,53-/m1/s1
Definition date:	2025-01-09
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	(2~{S},4~{R})-~{N}-[(1~{R})-2-[2-[4-[4-bromanyl-7-cyclopentyl-5-oxidanylidene-10-[[(2~{S})-oxolan-2-yl]methoxy]-6~{H}-benzimidazolo[1,2-a]quinazolin-7-ium-9-yl]piperidin-1-yl]ethoxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1IZR

A1IZR
Name:	4-[[1,1-bis(oxidanylidene)-7-propan-2-yl-4~{H}-1$l^{6},2,4-benzothiadiazin-3-yl]amino]-2,6-bis(chloranyl)phenol
Formula:	C16 H15 Cl2 N3 O3 S
SMILES:	CC(C)c1ccc2NC(=N[S](=O)(=O)c2c1)Nc3cc(Cl)c(O)c(Cl)c3
InChi:	InChI=1S/C16H15Cl2N3O3S/c1-8(2)9-3-4-13-14(5-9)25(23,24)21-16(20-13)19-10-6-11(17)15(22)12(18)7-10/h3-8,22H,1-2H3,(H2,19,20,21)
Definition date:	2025-01-24
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	4-[[1,1-bis(oxidanylidene)-7-propan-2-yl-4~{H}-1$l^{6},2,4-benzothiadiazin-3-yl]amino]-2,6-bis(chloranyl)phenol

A1IZW

A1IZW
Name:	3-(3-methoxyphenyl)-4-[[4-[[(3~{S})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]quinazolin-2-yl]amino]benzoic acid
Formula:	C30 H27 N7 O3
SMILES:	COc1cccc(c1)c2cc(ccc2Nc3nc(N[CH]4CCN(C4)c5cccnn5)c6ccccc6n3)C(O)=O
InChi:	InChI=1S/C30H27N7O3/c1-40-22-7-4-6-19(16-22)24-17-20(29(38)39)11-12-26(24)34-30-33-25-9-3-2-8-23(25)28(35-30)32-21-13-15-37(18-21)27-10-5-14-31-36-27/h2-12,14,16-17,21H,13,15,18H2,1H3,(H,38,39)(H2,32,33,34,35)/t21-/m0/s1
Definition date:	2025-01-27
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	3-(3-methoxyphenyl)-4-[[4-[[(3~{S})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]quinazolin-2-yl]amino]benzoic acid

A1JCF

A1JCF
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[5-chloranyl-7-[[(1~{S})-1~{H}-inden-1-yl]-methyl-amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C20 H23 Cl N6 O9 P2
SMILES:	CN([CH]1C=Cc2ccccc12)c3nc(Cl)nc4n(nnc34)[CH]5O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]5O
InChi:	InChI=1S/C20H23ClN6O9P2/c1-26(12-7-6-10-4-2-3-5-11(10)12)17-14-18(23-20(21)22-17)27(25-24-14)19-16(29)15(28)13(36-19)8-35-38(33,34)9-37(30,31)32/h2-7,12-13,15-16,19,28-29H,8-9H2,1H3,(H,33,34)(H2,30,31,32)/t12-,13+,15+,16+,19+/m0/s1
Definition date:	2025-05-07
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[5-chloranyl-7-[[(1~{S})-1~{H}-inden-1-yl]-methyl-amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

A1JFB

A1JFB
Name:	Zilurgisertib
Formula:	C30 H40 N4 O3
SMILES:	Nc1ncc(cc1C(=O)NC23CCC(O)(CC2)CC3)C4=CCC(=CC4)[C]56C[CH]5CN(C6)C7CCOCC7
InChi:	InChI=1S/C30H40N4O3/c31-26-25(27(35)33-28-7-10-29(36,11-8-28)12-9-28)15-21(17-32-26)20-1-3-22(4-2-20)30-16-23(30)18-34(19-30)24-5-13-37-14-6-24/h1,4,15,17,23-24,36H,2-3,5-14,16,18-19H2,(H2,31,32)(H,33,35)/t23-,28-,29+,30+/m1/s1
Synonyms:	2-azanyl-5-[4-[(1~{R},5~{S})-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,4-dien-1-yl]-~{N}-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide
Definition date:	2025-06-04
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	2-azanyl-5-[4-[(1~{R},5~{S})-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclohexa-1,4-dien-1-yl]-~{N}-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)pyridine-3-carboxamide

D5D

D5D
Name:	[(1S)-1-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl] dihydrogen phosphate
Formula:	C10 H17 N2 O9 P
SMILES:	C[CH](O[P](O)(O)=O)[CH]1O[CH]([CH](O)[CH]1O)N2CCC(=O)NC2=O
InChi:	InChI=1S/C10H17N2O9P/c1-4(21-22(17,18)19)8-6(14)7(15)9(20-8)12-3-2-5(13)11-10(12)16/h4,6-9,14-15H,2-3H2,1H3,(H,11,13,16)(H2,17,18,19)/t4-,6-,7+,8+,9+/m0/s1
Definition date:	2022-12-15
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	[(1~{S})-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl] dihydrogen phosphate

A1JK8

A1JK8
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~{S})-5-(5-dodecyl-3-propyl-1,2,3$l^{4}-triazacyclopenta-2,4-dien-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C32 H55 N8 O13 P2
SMILES:	CCCCCCCCCCCCc1c[n+](CCC)nn1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C32H54N8O13P2/c1-3-5-6-7-8-9-10-11-12-13-14-21-16-38(15-4-2)37-40(21)32-28(44)26(42)23(52-32)18-50-55(47,48)53-54(45,46)49-17-22-25(41)27(43)31(51-22)39-20-36-24-29(33)34-19-35-30(24)39/h16,19-20,22-23,25-28,31-32,41-44H,3-15,17-18H2,1-2H3,(H3-,33,34,35,45,46,47,48)/p+1/t22-,23-,25-,26-,27-,28-,31-,32+/m1/s1
Definition date:	2025-07-21
Last modified:	2025-11-07
Release date:	2025-11-12
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~{S})-5-(5-dodecyl-3-propyl-1,2,3-triazol-3-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

A1JKW

A1JKW
Name:	3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one
Formula:	C22 H26 O7
SMILES:	CCC1=C(C)C(=C(Cc2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)C(=O)O1)O
InChi:	InChI=1S/C22H26O7/c1-6-16-11(4)18(24)15(22(28)29-16)9-14-19(25)13(8-7-10(2)3)20(26)17(12(5)23)21(14)27/h7,24-27H,6,8-9H2,1-5H3
Definition date:	2025-07-18
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	3-[[3-ethanoyl-5-(3-methylbut-2-enyl)-2,4,6-tris(oxidanyl)phenyl]methyl]-6-ethyl-5-methyl-4-oxidanyl-pyran-2-one

A1L5R

A1L5R
Name:	1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one
Formula:	C16 H14 O5
SMILES:	COc1c(O)c(O)ccc1C=CC(=O)c2ccc(O)cc2
InChi:	InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4-
Synonyms:	Licochalcone B
Definition date:	2024-11-08
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	1-(4-hydroxyphenyl)-3-[2-methoxy-3,4-bis(oxidanyl)phenyl]prop-2-en-1-one

A1L5V

A1L5V
Name:	6-[(5S)-5-[[[2-(7-Fluoro-1,2-dihydro-1-methyl-2-oxo-8-quinolinyl)ethyl]amino]methyl]-2-oxo-3-oxazolidinyl]-2H-pyrazino[2,3-b]-1,4-oxazin-3(4H)-one
Formula:	C22 H21 F N6 O5
SMILES:	CN1C(=O)C=Cc2ccc(F)c(CCNC[CH]3CN(C(=O)O3)c4cnc5OCC(=O)Nc5n4)c12
InChi:	InChI=1S/C22H21FN6O5/c1-28-18(31)5-3-12-2-4-15(23)14(19(12)28)6-7-24-8-13-10-29(22(32)34-13)16-9-25-21-20(26-16)27-17(30)11-33-21/h2-5,9,13,24H,6-8,10-11H2,1H3,(H,26,27,30)
Synonyms:	BWC0977
Definition date:	2024-11-13
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	6-[(5~{S})-5-[[2-(7-fluoranyl-1-methyl-2-oxidanylidene-quinolin-8-yl)ethylamino]methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-4~{H}-pyrazino[2,3-b][1,4]oxazin-3-one

A1L8T

A1L8T
Name:	~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide
Formula:	C35 H44 F2 N8 O3
SMILES:	CCC(=O)Nc1cc(Nc2cc(ncn2)N3OCC[CH]3c4cc(F)cc(F)c4)c(OC)cc1N5CCC(CC5)N6CCN(CC6)C7CC7
InChi:	InChI=1S/C35H44F2N8O3/c1-3-35(46)41-28-19-29(40-33-21-34(39-22-38-33)45-30(8-15-48-45)23-16-24(36)18-25(37)17-23)32(47-2)20-31(28)44-9-6-27(7-10-44)43-13-11-42(12-14-43)26-4-5-26/h16-22,26-27,30H,3-15H2,1-2H3,(H,41,46)(H,38,39,40)/t30-/m1/s1
Definition date:	2025-03-28
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	~{N}-[5-[[6-[(3~{R})-3-[3,5-bis(fluoranyl)phenyl]-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-2-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-4-methoxy-phenyl]propanamide

A1L98

A1L98
Name:	4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
Formula:	C30 H32 N2 O8 S2
SMILES:	CCOc1ccc(cc1)[S](=O)(=O)Nc2cc(CCCC(O)=O)c(N[S](=O)(=O)c3ccc(OCC)cc3)c4ccccc24
InChi:	InChI=1S/C30H32N2O8S2/c1-3-39-22-12-16-24(17-13-22)41(35,36)31-28-20-21(8-7-11-29(33)34)30(27-10-6-5-9-26(27)28)32-42(37,38)25-18-14-23(15-19-25)40-4-2/h5-6,9-10,12-20,31-32H,3-4,7-8,11H2,1-2H3,(H,33,34)
Definition date:	2025-06-10
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	4-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid

A1L9Q

A1L9Q
Name:	4-azanyl-1-[(2~{R},3~{R},4~{R},5~{R})-3-methoxy-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]pyrimidine-2-thione
Formula:	C10 H16 N3 O7 P S
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=NC2=S)N
InChi:	InChI=1S/C10H16N3O7PS/c1-18-8-7(14)5(4-19-21(15,16)17)20-9(8)13-3-2-6(11)12-10(13)22/h2-3,5,7-9,14H,4H2,1H3,(H2,11,12,22)(H2,15,16,17)/t5-,7-,8-,9-/m1/s1
Definition date:	2025-05-20
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-(4-azanyl-2-sulfanylidene-pyrimidin-1-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

A1MCI

A1MCI
Name:	TEBIPENEM, BOUND FORM
Formula:	C16 H23 N3 O4 S2
SMILES:	C[CH](O)[CH](C=O)[CH]1N=C([CH](SC2CN(C2)C3=NCCS3)[CH]1C)C(O)=O
InChi:	InChI=1S/C16H23N3O4S2/c1-8-12(11(7-20)9(2)21)18-13(15(22)23)14(8)25-10-5-19(6-10)16-17-3-4-24-16/h7-12,14,21H,3-6H2,1-2H3,(H,22,23)/t8-,9-,11-,12-,14-/m1/s1
Synonyms:	(2~{S},3~{R},4~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[1-(1,3-thiazolidin-2-yl)azetidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid
Definition date:	2025-10-31
Last modified:	2025-11-07
Release date:	2025-11-12
Identifier:	(2~{S},3~{R},4~{R})-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

GAM

GAM
Name:	ALPHA-METHYL-L-GLUTAMIC ACID
Formula:	C6 H11 N O4
SMILES:	O=C(O)CCC(N)(C(=O)O)C
InChi:	InChI=1S/C6H11NO4/c1-6(7,5(10)11)3-2-4(8)9/h2-3,7H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
Definition date:	1999-07-08
Last modified:	2025-11-05
Identifier:	2-methyl-L-glutamic acid

XB2

XB2
Name:	Mavacamten
Formula:	C15 H19 N3 O2
SMILES:	CC(C)N1C(=O)NC(=CC1=O)N[CH](C)c2ccccc2
InChi:	InChI=1S/C15H19N3O2/c1-10(2)18-14(19)9-13(17-15(18)20)16-11(3)12-7-5-4-6-8-12/h4-11,16H,1-3H3,(H,17,20)/t11-/m0/s1
Synonyms:	6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione
Definition date:	2023-10-26
Last modified:	2025-11-04
Release date:	2023-12-13
Identifier:	6-[[(1~{S})-1-phenylethyl]amino]-3-propan-2-yl-1~{H}-pyrimidine-2,4-dione

A1CYZ

A1CYZ
Name:	5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C13 H19 N6 O8 P S
SMILES:	SCC(N)C(=O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H19N6O8PS/c14-5(2-29)13(22)27-28(23,24)25-1-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21,29H,1-2,14H2,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Synonyms:	Cysteinyl-AMP
Definition date:	2025-10-20
Last modified:	2025-11-03
Release date:	2025-10-29
Identifier:	5'-O-[(R)-{[(2R)-2-amino-3-sulfanylpropanoyl]oxy}(hydroxy)phosphoryl]adenosine

U47

U47
Name:	(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(1H-1,2,3-triazol-4-yl)methoxy]methyl}piperazine
Formula:	C18 H21 F4 N5 O4 S
SMILES:	c3(F)cc(CN2C(COCc1cnnn1)CN(CC2)S(C=C)(=O)=O)ccc3OC(F)(F)F
InChi:	InChI=1S/C18H21F4N5O4S/c1-2-32(28,29)27-6-5-26(15(10-27)12-30-11-14-8-23-25-24-14)9-13-3-4-17(16(19)7-13)31-18(20,21)22/h2-4,7-8,15H,1,5-6,9-12H2,(H,23,24,25)/t15-/m1/s1
Definition date:	2020-04-16
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(1H-1,2,3-triazol-4-yl)methoxy]methyl}piperazine

W4Q

W4Q
Name:	1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one
Formula:	C26 H21 Cl F N O3
SMILES:	COc1cc(OC)c(Cl)c(c1)N2C(=CC(=O)C(=C2c3ccc(F)cc3)C)c4ccccc4
InChi:	InChI=1S/C26H21ClFNO3/c1-16-23(30)15-21(17-7-5-4-6-8-17)29(26(16)18-9-11-19(28)12-10-18)22-13-20(31-2)14-24(32-3)25(22)27/h4-15H,1-3H3
Synonyms:	IKP104
Definition date:	2023-09-20
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-(2-chloranyl-3,5-dimethoxy-phenyl)-2-(4-fluorophenyl)-3-methyl-6-phenyl-pyridin-4-one

A1B7Q

A1B7Q
Name:	(2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one
Formula:	C37 H33 F4 N7 O3 S
SMILES:	FC(Cc1nccs1)C(=O)N1CCN(CC1)c1nc(OCC23CCCN3CC(F)C2)nc2c1cnc(c1cc(O)cc3ccc(F)c(C#C)c31)c2F
InChi:	InChI=1S/C37H33F4N7O3S/c1-2-24-27(39)5-4-21-14-23(49)15-25(30(21)24)32-31(41)33-26(18-43-32)34(45-36(44-33)51-20-37-6-3-8-48(37)19-22(38)17-37)46-9-11-47(12-10-46)35(50)28(40)16-29-42-7-13-52-29/h1,4-5,7,13-15,18,22,28,49H,3,6,8-12,16-17,19-20H2/t22-,28+,37+/m1/s1
Synonyms:	(2R)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one adduct
Definition date:	2025-04-02
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(2S)-1-{4-[(7P)-7-(8-ethynyl-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl}-2-fluoro-3-(1,3-thiazol-2-yl)propan-1-one

A1BKU

A1BKU
Name:	4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide
Formula:	C15 H17 N3 O2
SMILES:	O=C(Nc1ccccc1OCC(=C)C)c1[NH]cnc1C
InChi:	InChI=1S/C15H17N3O2/c1-10(2)8-20-13-7-5-4-6-12(13)18-15(19)14-11(3)16-9-17-14/h4-7,9H,1,8H2,2-3H3,(H,16,17)(H,18,19)
Definition date:	2024-12-10
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	4-methyl-N-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1H-imidazole-5-carboxamide

A1EFZ

A1EFZ
Name:	1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one
Formula:	C23 H23 N3 O3
SMILES:	CCC(=O)c1cc(c2cc(OC)c(Cn3ccnc3)c(OC)c2)c4ccccn14
InChi:	InChI=1S/C23H23N3O3/c1-4-21(27)20-13-17(19-7-5-6-9-26(19)20)16-11-22(28-2)18(23(12-16)29-3)14-25-10-8-24-15-25/h5-13,15H,4,14H2,1-3H3
Definition date:	2024-11-19
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-[1-[4-(imidazol-1-ylmethyl)-3,5-dimethoxy-phenyl]indolizin-3-yl]propan-1-one

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