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A1JGR

A1JGR
Name:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C17 H27 N3 O2
SMILES:	Cc1onc(CN(CCC2CCCCC2)C(=O)NC3CC3)c1
InChi:	InChI=1S/C17H27N3O2/c1-13-11-16(19-22-13)12-20(17(21)18-15-7-8-15)10-9-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,18,21)
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

A1JGU

A1JGU
Name:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione
Formula:	C16 H14 Br N3 O2
SMILES:	C[CH](N1CC(=O)N(C1=O)c2cncc(Br)c2)c3ccccc3
InChi:	InChI=1S/C16H14BrN3O2/c1-11(12-5-3-2-4-6-12)19-10-15(21)20(16(19)22)14-7-13(17)8-18-9-14/h2-9,11H,10H2,1H3/t11-/m1/s1
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione

A1JGV

A1JGV
Name:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione
Formula:	C15 H10 Br F2 N3 O2
SMILES:	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F
InChi:	InChI=1S/C15H10BrF2N3O2/c16-10-4-11(6-19-5-10)21-14(22)8-20(15(21)23)7-9-1-2-12(17)13(18)3-9/h1-6H,7-8H2
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione

MI7

MI7
Name:	7-METHOXY-1H-INDAZOLE
Formula:	C8 H8 N2 O
SMILES:	n2cc1cccc(OC)c1n2
InChi:	InChI=1S/C8H8N2O/c1-11-7-4-2-3-6-5-9-10-8(6)7/h2-5H,1H3,(H,9,10)
Definition date:	2005-10-17
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	7-methoxy-1H-indazole

YVI

YVI
Name:	6-THIOOCTANOIC ACID
Formula:	C8 H16 O2 S
SMILES:	OC(=O)CCCCC(S)CC
InChi:	InChI=1S/C8H16O2S/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)/t7-/m0/s1
Synonyms:	6-sulfanyloctanoic acid
Definition date:	2024-01-22
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	(6S)-6-sulfanyloctanoic acid

A1IF3

A1IF3
Name:	1-(3-bromanyl-4-methyl-phenyl)-2-(4-ethylphenyl)imidazole
Formula:	C18 H17 Br N2
SMILES:	CCc1ccc(cc1)c2nccn2c3ccc(C)c(Br)c3
InChi:	InChI=1S/C18H17BrN2/c1-3-14-5-7-15(8-6-14)18-20-10-11-21(18)16-9-4-13(2)17(19)12-16/h4-12H,3H2,1-2H3
Definition date:	2024-06-27
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(3-bromanyl-4-methyl-phenyl)-2-(4-ethylphenyl)imidazole

A1B8D

A1B8D
Name:	N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide
Formula:	C20 H16 N4 O5 S
SMILES:	COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(=O)Nc1cccc2nonc12
InChi:	InChI=1S/C20H16N4O5S/c1-28-15-8-10-16(11-9-15)30(26,27)24-14-5-2-4-13(12-14)20(25)21-17-6-3-7-18-19(17)23-29-22-18/h2-12,24H,1H3,(H,21,25)
Definition date:	2025-04-10
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	N-(2,1,3-benzoxadiazol-4-yl)-3-(4-methoxybenzene-1-sulfonamido)benzamide

VY9

VY9
Name:	(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid
Formula:	C12 H23 N O4
SMILES:	CCCCCCC[CH](CC(O)=O)NCC(O)=O
InChi:	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
Definition date:	2023-09-03
Last modified:	2025-07-03
Release date:	2024-04-17
Identifier:	(3~{R})-3-(2-hydroxy-2-oxoethylamino)decanoic acid

A1BVU

A1BVU
Name:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide
Formula:	C23 H27 F2 N3 O4
SMILES:	Cc1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O)Nc1cc(ccc1)C(F)F
InChi:	InChI=1S/C23H27F2N3O4/c1-12-18(22(31)27-16-6-4-5-14(11-16)21(24)25)13(2)28(3)19(12)20(30)23(32)26-15-7-9-17(29)10-8-15/h4-6,11,15,17,21,29H,7-10H2,1-3H3,(H,26,32)(H,27,31)/t15-,17+
Definition date:	2025-02-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide

A1BZD

A1BZD
Name:	(morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C16 H13 F3 N4 O3
SMILES:	O=C(c1cnc2c(cc(cn12)C(F)(F)F)c1cnco1)N1CCOCC1
InChi:	InChI=1S/C16H13F3N4O3/c17-16(18,19)10-5-11(13-7-20-9-26-13)14-21-6-12(23(14)8-10)15(24)22-1-3-25-4-2-22/h5-9H,1-4H2
Definition date:	2025-03-06
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

A1BZE

A1BZE
Name:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C18 H15 F3 N4 O3
SMILES:	FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1
InChi:	InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2/t11-,12+
Definition date:	2025-03-06
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

A1EAE

A1EAE
Name:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:	C20 H19 N3 O6
SMILES:	COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3cccc(CN)c3)cc12
InChi:	InChI=1S/C20H19N3O6/c1-28-20-15-8-13(29-12-4-2-3-11(7-12)9-21)5-6-14(15)18(26)17(23-20)19(27)22-10-16(24)25/h2-8,26H,9-10,21H2,1H3,(H,22,27)(H,24,25)
Definition date:	2024-08-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

A1ECU

A1ECU
Name:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide
Formula:	C31 H40 Cl3 N8 O3 P
SMILES:	COc1cc(N2CCC(CC2)N3CCN(C)CC3)c(NC(=O)C(Cl)Cl)cc1Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4
InChi:	InChI=1S/C31H40Cl3N8O3P/c1-40-13-15-41(16-14-40)20-9-11-42(12-10-20)25-18-26(45-2)24(17-23(25)37-30(43)28(33)34)38-31-35-19-21(32)29(39-31)36-22-7-5-6-8-27(22)46(3,4)44/h5-8,17-20,28H,9-16H2,1-4H3,(H,37,43)(H2,35,36,38,39)
Definition date:	2024-10-01
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide

A1EM4

A1EM4
Name:	Doxazosin, (S)-
Formula:	C23 H25 N5 O5
SMILES:	COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[CH]4COc5ccccc5O4
InChi:	InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)/t20-/m0/s1
Definition date:	2025-03-17
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(3~{S})-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

A1EMV

A1EMV
Name:	Silodosin
Formula:	C25 H32 F3 N3 O4
SMILES:	C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F
InChi:	InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Definition date:	2025-03-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	1-(3-oxidanylpropyl)-5-[(2~{R})-2-[2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

A1IFY

A1IFY
Name:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid
Formula:	C19 H26 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)Nc1cnc(nc1)c2ccc(OC(C)C)cc2)[P](O)(O)=O
InChi:	InChI=1S/C19H26N3O5P/c1-12(2)9-17(28(24,25)26)19(23)22-15-10-20-18(21-11-15)14-5-7-16(8-6-14)27-13(3)4/h5-8,10-13,17H,9H2,1-4H3,(H,22,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid

A1IFZ

A1IFZ
Name:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C18 H21 Cl2 N2 O6 P S
SMILES:	CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O
InChi:	InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IHV

A1IHV
Name:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone
Formula:	C28 H29 F N6 O S
SMILES:	Cc1cncc(c1)C(=O)N2C[CH]3CC[CH](C2)N3[CH](c4cccc(F)c4)c5cn(CCc6cscc6)nn5
InChi:	InChI=1S/C28H29FN6OS/c1-19-11-22(14-30-13-19)28(36)33-15-24-5-6-25(16-33)35(24)27(21-3-2-4-23(29)12-21)26-17-34(32-31-26)9-7-20-8-10-37-18-20/h2-4,8,10-14,17-18,24-25,27H,5-7,9,15-16H2,1H3/t24-,25+,27-/m1/s1
Definition date:	2024-07-09
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1~{S},5~{R})-8-[(~{R})-(3-fluorophenyl)-[1-(2-thiophen-3-ylethyl)-1,2,3-triazol-4-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]-(5-methylpyridin-3-yl)methanone

A1IJB

A1IJB
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C21 H27 N10 O9 P S
SMILES:	CSC[CH]1O[CH]([CH](O)[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C21H27N10O9PS/c1-42-3-9-15(14(34)21(39-9)31-7-29-11-17(23)25-5-27-19(11)31)40-41(35,36)37-2-8-12(32)13(33)20(38-8)30-6-28-10-16(22)24-4-26-18(10)30/h4-9,12-15,20-21,32-34H,2-3H2,1H3,(H,35,36)(H2,22,24,26)(H2,23,25,27)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:	2024-07-29
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-(methylsulfanylmethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate

A1IJJ

A1IJJ
Name:	[(2~{S})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C20 H24 Cl2 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)N[CH](Cc1ccccn1)C(=O)Nc2ccc(Cl)c(Cl)c2)[P](O)(O)=O
InChi:	InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18-/m0/s1
Definition date:	2024-07-31
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{S})-1-[[(2~{S})-1-[(3,4-dichlorophenyl)amino]-1-oxidanylidene-3-pyridin-2-yl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

A1IQU

A1IQU
Name:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-4-yl)benzamide
Formula:	C18 H14 N3 O2
SMILES:	ONC(=O)c1ccc(cc1)c2[nH]c3ccccc3[n+]4cccc24
InChi:	InChI=1S/C18H13N3O2/c22-18(20-23)13-9-7-12(8-10-13)17-16-6-3-11-21(16)15-5-2-1-4-14(15)19-17/h1-11H,(H2,19,20,22,23)/p+1
Definition date:	2024-10-02
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-oxidanyl-4-(5~{H}-pyrrolo[1,2-a]quinoxalin-10-ium-4-yl)benzamide

A1IQV

A1IQV
Name:	~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide
Formula:	C20 H14 N2 O2
SMILES:	ONC(=O)c1ccc(cc1)c2nc3ccccc3c4ccccc24
InChi:	InChI=1S/C20H14N2O2/c23-20(22-24)14-11-9-13(10-12-14)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)21-19/h1-12,24H,(H,22,23)
Definition date:	2024-10-02
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-oxidanyl-4-phenanthridin-6-yl-benzamide

A1IYP

A1IYP
Name:	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:	C23 H26 N2 O2 S
SMILES:	CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:	InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
Definition date:	2025-01-14
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-methyl-~{N}-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

A1IYQ

A1IYQ
Name:	~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
Formula:	C23 H26 N2 O2 S
SMILES:	CN(C[CH]1CCN(C1)Cc2ccccc2)[S](=O)(=O)c3ccc4ccccc4c3
InChi:	InChI=1S/C23H26N2O2S/c1-24(16-20-13-14-25(18-20)17-19-7-3-2-4-8-19)28(26,27)23-12-11-21-9-5-6-10-22(21)15-23/h2-12,15,20H,13-14,16-18H2,1H3
Definition date:	2025-01-14
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	~{N}-methyl-~{N}-[[(3~{R})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

A1IZO

A1IZO
Name:	sulfato-terphen[3]arene complex
Formula:	C57 H42 O48 S12
SMILES:	O[S](=O)(=O)Oc1cc(O[S](O)(=O)=O)c2cc1Cc3cc(c(O[S](O)(=O)=O)cc3O[S](O)(=O)=O)c4ccc(cc4)c5cc(Cc6cc(c(O[S](O)(=O)=O)cc6O[S](O)(=O)=O)c7ccc(cc7)c8cc(Cc9cc(c(O[S](O)(=O)=O)cc9O[S](O)(=O)=O)c%10ccc2cc%10)c(O[S](O)(=O)=O)cc8O[S](O)(=O)=O)c(O[S](O)(=O)=O)cc5O[S](O)(=O)=O
InChi:	InChI=1S/C57H42O48S12/c58-106(59,60)94-46-22-52(100-112(76,77)78)40-16-34(46)13-36-18-42(54(102-114(82,83)84)24-48(36)96-108(64,65)66)30-5-7-32(8-6-30)44-20-38(50(98-110(70,71)72)26-56(44)104-116(88,89)90)15-39-21-45(57(105-117(91,92)93)27-51(39)99-111(73,74)75)33-11-9-31(10-12-33)43-19-37(49(97-109(67,68)69)25-55(43)103-115(85,86)87)14-35-17-41(29-2-1-28(40)3-4-29)53(101-113(79,80)81)23-47(35)95-107(61,62)63/h1-12,16-27H,13-15H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)
Definition date:	2025-01-23
Last modified:	2025-06-27
Release date:	2025-07-02

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