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XW6

XW6
Name:	N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-{4-oxo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide
Formula:	C25 H24 Cl2 N6 O2 S
SMILES:	Clc1ccc(cc1Cl)CN(C)C(=O)CN1C=Nc2ccc(cc2C1=O)N1CCN(CC1)c1nccs1
InChi:	InChI=1S/C25H24Cl2N6O2S/c1-30(14-17-2-4-20(26)21(27)12-17)23(34)15-33-16-29-22-5-3-18(13-19(22)24(33)35)31-7-9-32(10-8-31)25-28-6-11-36-25/h2-6,11-13,16H,7-10,14-15H2,1H3
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-{4-oxo-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]quinazolin-3(4H)-yl}acetamide

XW9

XW9
Name:	[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone
Formula:	C28 H33 N5 O6
SMILES:	O=C(c1cc(nc(OCC2CCOCC2)c1)C1CC1)N1CC=2CN(CC=2C1)C(=O)N1Cc2onc(O)c2CC1
InChi:	InChI=1S/C28H33N5O6/c34-26-22-3-6-31(15-24(22)39-30-26)28(36)33-13-20-11-32(12-21(20)14-33)27(35)19-9-23(18-1-2-18)29-25(10-19)38-16-17-4-7-37-8-5-17/h9-10,17-18H,1-8,11-16H2,(H,30,34)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	[5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](3-hydroxy-4,7-dihydro[1,2]oxazolo[5,4-c]pyridin-6(5H)-yl)methanone

XWC

XWC
Name:	(5M)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:	C16 H20 N4 O3
SMILES:	O=C1NN=C(N1C)c1cc(c(nc1)OC1CCOCC1)C1CC1
InChi:	InChI=1S/C16H20N4O3/c1-20-14(18-19-16(20)21)11-8-13(10-2-3-10)15(17-9-11)23-12-4-6-22-7-5-12/h8-10,12H,2-7H2,1H3,(H,19,21)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(5M)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

XWF

XWF
Name:	5-tert-butyl-2-methyl-4-{[5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]methoxy}benzonitrile
Formula:	C18 H24 N4 O2
SMILES:	CC(C)(C)c1cc(C#N)c(C)cc1OCC1=NNC(=O)N1C(C)C
InChi:	InChI=1S/C18H24N4O2/c1-11(2)22-16(20-21-17(22)23)10-24-15-7-12(3)13(9-19)8-14(15)18(4,5)6/h7-8,11H,10H2,1-6H3,(H,21,23)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	5-tert-butyl-2-methyl-4-{[5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]methoxy}benzonitrile

XWK

XWK
Name:	2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide
Formula:	C25 H25 Cl N6 O3
SMILES:	O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C=Nc2cc1
InChi:	InChI=1S/C25H25ClN6O3/c1-17(33)30-7-9-31(10-8-30)20-5-6-23-21(12-20)25(35)32(16-28-23)15-24(34)29(2)14-18-3-4-19(13-27)22(26)11-18/h3-6,11-12,16H,7-10,14-15H2,1-2H3
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	2-[6-(4-acetylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide

XWN

XWN
Name:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-c]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile
Formula:	C23 H16 Cl F N4 O2
SMILES:	Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2cnccc21
InChi:	InChI=1S/C23H16ClFN4O2/c24-19-9-23(30-12-22-16-5-6-27-11-21(16)28-29-22)18(7-13(19)10-26)17-8-15(3-4-20(17)25)31-14-1-2-14/h3-9,11,14H,1-2,12H2,(H,28,29)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-c]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile

XWR

XWR
Name:	(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:	C14 H16 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)COC(=O)N1CC2CNCC2C1
InChi:	InChI=1S/C14H16Cl2N2O2/c15-12-1-9(2-13(16)3-12)8-20-14(19)18-6-10-4-17-5-11(10)7-18/h1-3,10-11,17H,4-8H2/t10-,11+
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

XWX

XWX
Name:	5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:	C17 H17 Cl N4 O3
SMILES:	COc1ncccc1c1cc(Cl)c(C)cc1OCC1=NNC(=O)N1C
InChi:	InChI=1S/C17H17ClN4O3/c1-10-7-14(25-9-15-20-21-17(23)22(15)2)12(8-13(10)18)11-5-4-6-19-16(11)24-3/h4-8H,9H2,1-3H3,(H,21,23)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	5-({[(2P)-4-chloro-2-(2-methoxypyridin-3-yl)-5-methylphenyl]oxy}methyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one

XXI

XXI
Name:	2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide
Formula:	C26 H26 Cl N5 O3
SMILES:	O=C(C)N1CCC(CC1)c1ccc2N=CN(CC(=O)N(C)Cc3ccc(C#N)c(Cl)c3)C(=O)c2c1
InChi:	InChI=1S/C26H26ClN5O3/c1-17(33)31-9-7-19(8-10-31)20-5-6-24-22(12-20)26(35)32(16-29-24)15-25(34)30(2)14-18-3-4-21(13-28)23(27)11-18/h3-6,11-12,16,19H,7-10,14-15H2,1-2H3
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	2-[6-(1-acetylpiperidin-4-yl)-4-oxoquinazolin-3(4H)-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide

XXU

XXU
Name:	2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
Formula:	C24 H25 Cl2 N5 O3
SMILES:	O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C(C)=Nc2cc1
InChi:	InChI=1S/C24H25Cl2N5O3/c1-15-28-22-6-4-18(30-9-7-29(8-10-30)16(2)32)12-19(22)24(34)31(15)14-23(33)27-13-17-3-5-20(25)21(26)11-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,27,33)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	2-[6-(4-acetylpiperazin-1-yl)-2-methyl-4-oxoquinazolin-3(4H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

XYE

XYE
Name:	tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate
Formula:	C23 H32 Cl N3 O3
SMILES:	CC(C)(C)c1cc(Cl)c(C)cc1OCc1n[NH]c2CCN(Cc21)C(=O)OC(C)(C)C
InChi:	InChI=1S/C23H32ClN3O3/c1-14-10-20(16(11-17(14)24)22(2,3)4)29-13-19-15-12-27(9-8-18(15)25-26-19)21(28)30-23(5,6)7/h10-11H,8-9,12-13H2,1-7H3,(H,25,26)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	tert-butyl 3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxylate

Y0F

Y0F
Name:	(2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
Formula:	C24 H27 F3 N6 O3
SMILES:	FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CCC2CN(CC2CC1)C(=O)N1CCc2[NH]nnc2C1
InChi:	InChI=1S/C24H27F3N6O3/c25-24(26,27)36-19-4-1-16(2-5-19)3-6-22(34)31-10-7-17-13-33(14-18(17)8-11-31)23(35)32-12-9-20-21(15-32)29-30-28-20/h1-6,17-18H,7-15H2,(H,28,29,30)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(2E)-1-[(3aS,8aS)-2-(1,4,6,7-tetrahydro-5H-[1,2,3]triazolo[4,5-c]pyridine-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one

Y0K

Y0K
Name:	6-[(3aR,6aS)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridine-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide
Formula:	C26 H31 N5 O6 S
SMILES:	NS(=O)(=O)c1ccc(nc1)C(=O)N1CC2CN(CC2C1)C(=O)c1cc(c(nc1)OC1CCOCC1)C1CC1
InChi:	InChI=1S/C26H31N5O6S/c27-38(34,35)21-3-4-23(28-11-21)26(33)31-14-18-12-30(13-19(18)15-31)25(32)17-9-22(16-1-2-16)24(29-10-17)37-20-5-7-36-8-6-20/h3-4,9-11,16,18-20H,1-2,5-8,12-15H2,(H2,27,34,35)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	6-[(3aR,6aS)-5-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridine-3-carbonyl}hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carbonyl]pyridine-3-sulfonamide

Y0N

Y0N
Name:	2-[6-(4-acetylpiperazin-1-yl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
Formula:	C23 H23 Cl2 N5 O4
SMILES:	O=C(C)N1CCN(CC1)c1cc2C(=O)N(CC(=O)NCc3ccc(Cl)c(Cl)c3)C(=O)Nc2cc1
InChi:	InChI=1S/C23H23Cl2N5O4/c1-14(31)28-6-8-29(9-7-28)16-3-5-20-17(11-16)22(33)30(23(34)27-20)13-21(32)26-12-15-2-4-18(24)19(25)10-15/h2-5,10-11H,6-9,12-13H2,1H3,(H,26,32)(H,27,34)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	2-[6-(4-acetylpiperazin-1-yl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

Y0Q

Y0Q
Name:	[(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone
Formula:	C25 H25 Cl N6 O3
SMILES:	Clc1cnc(cc1OCC1CC1)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:	InChI=1S/C25H25ClN6O3/c26-19-7-27-22(6-23(19)35-12-13-1-2-13)25(34)32-10-17-15-8-31(9-16(15)18(17)11-32)24(33)14-3-4-20-21(5-14)29-30-28-20/h3-7,13,15-18H,1-2,8-12H2,(H,28,29,30)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	[(3aR,3bR,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][5-chloro-4-(cyclopropylmethoxy)pyridin-2-yl]methanone

Y0U

Y0U
Name:	(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
Formula:	C18 H22 N2 O S
SMILES:	CC(C)(C)c1ccc(cc1)/C=C1SC(=NC1=O)N1CCCC1
InChi:	InChI=1S/C18H22N2OS/c1-18(2,3)14-8-6-13(7-9-14)12-15-16(21)19-17(22-15)20-10-4-5-11-20/h6-9,12H,4-5,10-11H2,1-3H3
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(5Z)-5-[(4-tert-butylphenyl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one

Y1B

Y1B
Name:	3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid
Formula:	C25 H25 F4 N5 O3 S
SMILES:	O=C(O)c1ccc(SC2CCN(CC2)C(=O)CCc2ccc(cc2Cn2nc(C)nn2)C(F)(F)F)c(F)c1
InChi:	InChI=1S/C25H25F4N5O3S/c1-15-30-32-34(31-15)14-18-12-19(25(27,28)29)5-2-16(18)4-7-23(35)33-10-8-20(9-11-33)38-22-6-3-17(24(36)37)13-21(22)26/h2-3,5-6,12-13,20H,4,7-11,14H2,1H3,(H,36,37)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	3-fluoro-4-{[1-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperidin-4-yl]sulfanyl}benzoic acid

Y1F

Y1F
Name:	[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone
Formula:	C30 H36 N6 O4
SMILES:	O=C(c1ccc2[NH]nnc2c1)N1CC2CCN(CCC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:	InChI=1S/C30H36N6O4/c37-29(21-3-4-25-27(13-21)33-34-32-25)36-16-22-5-9-35(10-6-23(22)17-36)30(38)24-14-26(20-1-2-20)31-28(15-24)40-18-19-7-11-39-12-8-19/h3-4,13-15,19-20,22-23H,1-2,5-12,16-18H2,(H,32,33,34)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	[(3aR,8aS)-2-(1H-benzotriazole-5-carbonyl)octahydropyrrolo[3,4-d]azepin-6(1H)-yl]{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridin-4-yl}methanone

Y1K

Y1K
Name:	4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one
Formula:	C23 H23 Cl F N5 O4
SMILES:	O=C1CN(CCN1C)C(=O)c1cc(c2cc(Cl)c(C)cc2OCC2=NNC(=O)N2C)c(F)cc1
InChi:	InChI=1S/C23H23ClFN5O4/c1-13-8-19(34-12-20-26-27-23(33)29(20)3)16(10-17(13)24)15-9-14(4-5-18(15)25)22(32)30-7-6-28(2)21(31)11-30/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,27,33)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	4-{(1P)-5'-chloro-6-fluoro-4'-methyl-2'-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methoxy][1,1'-biphenyl]-3-carbonyl}-1-methylpiperazin-2-one

A1D6T

A1D6T
Name:	~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide
Formula:	C29 H32 F2 N2 O2
SMILES:	CC(C)C(=O)Nc1ccc(C)c(c1)C2CCN(CC2)Cc3ccc(Oc4ccc(F)c(F)c4)cc3
InChi:	InChI=1S/C29H32F2N2O2/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34)
Synonyms:	SNAP-94847
Definition date:	2024-03-15
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	~{N}-[3-[1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperidin-4-yl]-4-methyl-phenyl]-2-methyl-propanamide

A1ILU

A1ILU
Name:	~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
Formula:	C27 H35 Cl N4 O3
SMILES:	CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](C3)NC(=O)N[CH]4CCNC4)cc2
InChi:	InChI=1S/C27H35ClN4O3/c1-3-26(33)32(18(2)19-4-6-20(28)7-5-19)23-9-12-24(13-10-23)35-25-11-8-21(16-25)30-27(34)31-22-14-15-29-17-22/h4-7,9-10,12-13,18,21-22,25,29H,3,8,11,14-17H2,1-2H3,(H2,30,31,34)/t18-,21+,22-,25+/m0/s1
Definition date:	2024-08-20
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide

A1ILV

A1ILV
Name:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
Formula:	C25 H33 Cl N2 O3
SMILES:	CCC(=O)N([CH](CC(C)(C)O)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:	InChI=1S/C25H33ClN2O3/c1-4-24(29)28(23(16-25(2,3)30)17-5-7-18(26)8-6-17)20-10-13-21(14-11-20)31-22-12-9-19(27)15-22/h5-8,10-11,13-14,19,22-23,30H,4,9,12,15-16,27H2,1-3H3/t19-,22-,23+/m1/s1
Definition date:	2024-08-20
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide

A1ILY

A1ILY
Name:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
Formula:	C22 H27 Cl N2 O2
SMILES:	CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:	InChI=1S/C22H27ClN2O2/c1-3-22(26)25(15(2)16-4-6-17(23)7-5-16)19-9-12-20(13-10-19)27-21-11-8-18(24)14-21/h4-7,9-10,12-13,15,18,21H,3,8,11,14,24H2,1-2H3/t15?,18-,21+/m0/s1
Definition date:	2024-08-20
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide

A1IOM

A1IOM
Name:	dioxidovanadium(V) complex with furan-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide
Formula:	C14 H12 N2 O6 V
SMILES:	CCOc1cccc2C=NN=C(O[V](=O)(=O)Oc12)c3occc3
InChi:	InChI=1S/C14H14N2O4.2O.V/c1-2-19-11-6-3-5-10(13(11)17)9-15-16-14(18)12-7-4-8-20-12
Synonyms:	13-ethoxy-5-(furan-2-yl)-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide
Definition date:	2024-09-13
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	13-ethoxy-5-(furan-2-yl)-2,4-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),5,7,10,12-pentaene 3,3-dioxide

A1IRY

A1IRY
Name:	Mycobactin S
Formula:	C46 H70 Fe N5 O10
SMILES:	CCCCCCCCCCCCCCCCCC=CC(=O)[N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)OC2=O)C5=O
InChi:	InChI=1S/C46H71N5O10.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-42(54)50(58)31-24-23-28-38(48-43(55)39-34-60-44(49-39)36-26-20-21-29-40(36)52)46(57)61-35(2)33-41(53)47-37-27-22-25-32-51(59)45(37)56
Synonyms:	[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
Definition date:	2024-10-14
Last modified:	2024-12-13
Release date:	2024-12-18

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