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A1AZQ

A1AZQ
Name:	N-(2-phenylethyl)glycine
Formula:	C10 H13 N O2
SMILES:	O=C(O)CNCCc1ccccc1
InChi:	InChI=1S/C10H13NO2/c12-10(13)8-11-7-6-9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,12,13)
Definition date:	2024-07-24
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-(2-phenylethyl)glycine

A1BUC

A1BUC
Name:	1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:	C56 H68 Cl F2 N15 O7
SMILES:	CNC(=O)COC1=Cc2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(CCc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21)C(F)F
InChi:	InChI=1S/C56H68ClF2N15O7/c1-60-47(75)32-81-46-25-35-23-37(26-45(80-5)49(35)69(4)54(46)78)65-51-42(57)29-63-55(66-51)71-18-11-33(12-19-71)53(77)62-16-7-6-10-48(76)70-20-13-38(14-21-70)74-43-15-22-72(56(79)61-2)31-41(43)52(67-74)73-17-8-9-34-24-39(36-28-64-68(3)30-36)40(50(58)59)27-44(34)73/h23-30,33,38,50H,6-22,31-32H2,1-5H3,(H,60,75)(H,61,79)(H,62,77)(H,63,65,66)
Definition date:	2025-01-23
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

A1A1Y

A1A1Y
Name:	(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide
Formula:	C25 H30 N6 O2
SMILES:	O=C(NCCc1ccc2[NH]c(N)nc2c1)C1CCN1C(=O)C1CC(CCN1)c1ccccc1
InChi:	InChI=1S/C25H30N6O2/c26-25-29-19-7-6-16(14-20(19)30-25)8-11-28-23(32)22-10-13-31(22)24(33)21-15-18(9-12-27-21)17-4-2-1-3-5-17/h1-7,14,18,21-22,27H,8-13,15H2,(H,28,32)(H3,26,29,30)/t18-,21+,22-/m0/s1
Definition date:	2024-08-13
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2S)-N-[2-(2-amino-1H-1,3-benzimidazol-5-yl)ethyl]-1-[(2R,4S)-4-phenylpiperidine-2-carbonyl]azetidine-2-carboxamide

A1A1Z

A1A1Z
Name:	N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide
Formula:	C24 H23 N5 O3 S
SMILES:	Nc1nc(c[NH]1)c1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChi:	InChI=1S/C24H23N5O3S/c25-24-27-16-22(28-24)19-10-6-18(7-11-19)15-26-23(30)14-17-8-12-20(13-9-17)29-33(31,32)21-4-2-1-3-5-21/h1-13,16,29H,14-15H2,(H,26,30)(H3,25,27,28)
Definition date:	2024-08-13
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-{[4-(2-amino-1H-imidazol-4-yl)phenyl]methyl}-2-[4-(benzenesulfonamido)phenyl]acetamide

A1EGB

A1EGB
Name:	5-chloranyl-2~{H}-indazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1ccc2n[nH]cc2c1
InChi:	InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Definition date:	2024-11-22
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	5-chloranyl-2~{H}-indazole

A1EJU

A1EJU
Name:	3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one
Formula:	C16 H12 F N5 O2
SMILES:	COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N
InChi:	InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one

A1EJV

A1EJV
Name:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one
Formula:	C15 H9 Cl F N5 O
SMILES:	NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O
InChi:	InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one

A1D7Q

A1D7Q
Name:	20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
Formula:	C31 H56 N2 O10
SMILES:	OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O
InChi:	InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1
Definition date:	2024-04-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	20-[[(2~{S})-5-[2-[2-(2-hydroxy-2-oxoethyloxy)ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid

A1H7Q

A1H7Q
Name:	1-[(2R)-2-phenylpyrrolidin-1-yl]propan-1-one
Formula:	C13 H17 N O
SMILES:	CCC(=O)N1CCC[CH]1c2ccccc2
InChi:	InChI=1S/C13H17NO/c1-2-13(15)14-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3/t12-/m1/s1
Definition date:	2024-04-04
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[(2~{R})-2-phenylpyrrolidin-1-yl]propan-1-one

A1IAE

A1IAE
Name:	(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone
Formula:	C21 H13 Cl O3 S
SMILES:	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C21H13ClO3S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,23-24H
Synonyms:	(4-Chlorophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone
Definition date:	2024-05-07
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(4-chlorophenyl)-[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]methanone

A1IAF

A1IAF
Name:	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone
Formula:	C27 H26 N2 O4 S
SMILES:	Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccccc4NCCN5CCOCC5
InChi:	InChI=1S/C27H26N2O4S/c30-19-7-5-18(6-8-19)27-25(22-10-9-20(31)17-24(22)34-27)26(32)21-3-1-2-4-23(21)28-11-12-29-13-15-33-16-14-29/h1-10,17,28,30-31H,11-16H2
Synonyms:	[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]{2-[(2-morpholinoethyl)amino]phenyl}methanone
Definition date:	2024-05-07
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]-[2-(2-morpholin-4-ylethylamino)phenyl]methanone

A1IIU

A1IIU
Name:	(3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C24 H27 Cl N4 O5 S2
SMILES:	Oc1ccc2cc1C(=O)N(CCCCCN3C(=N[S]2(=O)=O)Sc4c(Cl)ccc(O)c34)C5CCNCC5
InChi:	InChI=1S/C24H27ClN4O5S2/c25-18-5-7-20(31)21-22(18)35-24-27-36(33,34)16-4-6-19(30)17(14-16)23(32)28(15-8-10-26-11-9-15)12-2-1-3-13-29(21)24/h4-7,14-15,26,30-31H,1-3,8-13H2/b27-24-
Synonyms:	19-chloro-6,16-dihydroxy-2,2,8-trioxo-9-(piperidin-4-yl)-1,8,9,10,11,12,13,14-octahydro-2H-3,7-(metheno)-2-lambda-6-[1,2,4,10]thiatriazacyclohexadecino[3,4-b][1,3]benzothiazol-15-ium
Definition date:	2024-07-19
Last modified:	2025-04-11
Release date:	2025-04-16

A1ILA

A1ILA
Name:	11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one
Formula:	C25 H30 Cl N4 O5 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCC[n+]3c(N[S](=O)(=O)c4ccc(O)c(c4)C2=O)sc5c(Cl)ccc(O)c35
InChi:	InChI=1S/C25H29ClN4O5S2/c26-19-9-11-21(32)22-23(19)36-25-28-37(34,35)17-8-10-20(31)18(14-17)24(33)29(12-2-1-3-13-30(22)25)16-6-4-15(27)5-7-16/h8-11,14-16H,1-7,12-13,27H2,(H2,31,32,33)/p+1/b28-25-/t15-,16+
Definition date:	2024-08-14
Last modified:	2025-04-11
Release date:	2025-04-16

A1ILF

A1ILF
Name:	(3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C34 H47 Cl N8 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CC[CH](CC5)N6CC[CH](N)CC6)c(c4)C2=O)Sc7c(Cl)ccc(O)c37
InChi:	InChI=1S/C34H47ClN8O4S2/c35-28-8-9-29(44)30-31(28)48-34-39-49(46,47)26-20-27(32(38-21-26)41-18-12-24(13-19-41)40-16-10-23(37)11-17-40)33(45)42(14-2-1-3-15-43(30)34)25-6-4-22(36)5-7-25/h8-9,20-25,44H,1-7,10-19,36-37H2/b39-34-/t22-,25+
Definition date:	2024-08-15
Last modified:	2025-04-11
Release date:	2025-04-16

A1IMA

A1IMA
Name:	(3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C28 H36 Cl N7 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CCNCC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36
InChi:	InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-33-42(39,40)20-16-21(26(32-17-20)34-14-10-31-11-15-34)27(38)35(12-2-1-3-13-36(24)28)19-6-4-18(30)5-7-19/h8-9,16-19,31,37H,1-7,10-15,30H2/b33-28-/t18-,19+
Definition date:	2024-08-20
Last modified:	2025-04-11
Release date:	2025-04-16

A1IMB

A1IMB
Name:	(3E,15S)-17-(cis-4-aminocyclohexyl)-7-chloro-10,15,20-trihydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,17-triazatetracyclo[17.3.1.04,12.06,11]tricosa-1(22),3,6(11),7,9,19(23),20-heptaen-18-one
Formula:	C24 H27 Cl N4 O6 S2
SMILES:	N[CH]1CC[CH](CC1)N2C[CH](O)CCN3C(=N[S](=O)(=O)c4ccc(O)c(c4)C2=O)Sc5c(Cl)ccc(O)c35
InChi:	InChI=1S/C24H27ClN4O6S2/c25-18-6-8-20(32)21-22(18)36-24-27-37(34,35)16-5-7-19(31)17(11-16)23(33)29(12-15(30)9-10-28(21)24)14-3-1-13(26)2-4-14/h5-8,11,13-15,30-32H,1-4,9-10,12,26H2/b27-24-/t13-,14+,15-/m0/s1
Definition date:	2024-08-20
Last modified:	2025-04-11
Release date:	2025-04-16

A1IRQ

A1IRQ
Name:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C22 H24 N2 O6 S
SMILES:	OC(=O)[CH]1CC[CH](N1C(=O)CNC(=O)[CH](S)Cc2ccc(O)cc2)c3cccc(O)c3
InChi:	InChI=1S/C22H24N2O6S/c25-15-6-4-13(5-7-15)10-19(31)21(28)23-12-20(27)24-17(8-9-18(24)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,25-26,31H,8-10,12H2,(H,23,28)(H,29,30)/t17-,18+,19+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(3-hydroxyphenyl)-1-[2-[[(2~{S})-3-(4-hydroxyphenyl)-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1IRR

A1IRR
Name:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid
Formula:	C23 H26 N2 O4 S
SMILES:	Cc1ccc(cc1)[CH]2CC[CH](N2C(=O)CNC(=O)[CH](S)Cc3ccccc3)C(O)=O
InChi:	InChI=1S/C23H26N2O4S/c1-15-7-9-17(10-8-15)18-11-12-19(23(28)29)25(18)21(26)14-24-22(27)20(30)13-16-5-3-2-4-6-16/h2-10,18-20,30H,11-14H2,1H3,(H,24,27)(H,28,29)/t18-,19+,20+/m1/s1
Definition date:	2024-10-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-3-phenyl-2-sulfanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

A1JAQ

A1JAQ
Name:	1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose
Formula:	C6 H13 N O4
SMILES:	C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1
Synonyms:	1-amino-1-deoxy-b-L-fucopyranoside
Definition date:	2025-04-09
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-azanyl-6-methyl-oxane-3,4,5-triol

A1L1O

A1L1O
Name:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one
Formula:	C19 H18 F3 N O
SMILES:	CCC(=O)N1CCc2ccc(cc2C1)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C19H18F3NO/c1-2-18(24)23-10-9-14-3-4-15(11-16(14)12-23)13-5-7-17(8-6-13)19(20,21)22/h3-8,11H,2,9-10,12H2,1H3
Definition date:	2024-05-08
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-isoquinolin-2-yl]propan-1-one

A1L8X

A1L8X
Name:	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
Formula:	C17 H14 O7
SMILES:	COc1ccc(cc1O)C2=C(OC)C(=O)c3c(O)cc(O)cc3O2
InChi:	InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3
Definition date:	2025-04-02
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-methoxy-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one

KBC

KBC
Name:	[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H15 N2 O9 P
SMILES:	CO[C]1(CO[P](O)(O)=O)O[CH](C[CH]1O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C10H15N2O9P/c1-19-10(5-20-22(16,17)18)6(13)4-8(21-10)12-3-2-7(14)11-9(12)15/h2-3,6,8,13H,4-5H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,8+,10+/m0/s1
Definition date:	2022-09-14
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

PMF

PMF
Name:	phenylmethylsulfonyl fluoride
Formula:	C7 H7 F O2 S
SMILES:	O=S(F)(=O)Cc1ccccc1
InChi:	InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
Synonyms:	PMSF
Definition date:	2001-03-29
Last modified:	2025-04-10
Release date:	2019-01-16
Identifier:	phenylmethanesulfonyl fluoride

DHL

DHL
Name:	2-AMINO-ETHANETHIOL
Formula:	C2 H7 N S
SMILES:	SCCN
InChi:	InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Synonyms:	2,3-DESHYDROLANTHIONINE
Definition date:	1999-11-22
Last modified:	2025-04-09
Identifier:	2-aminoethanethiol

HLA

HLA
Name:	4,6-O-[(1R)-1-carboxyethylidene]-D-galactopyranose
Formula:	C9 H14 O8
SMILES:	O=C(O)C1(C)OCC2OC(O)C(O)C(O)C2O1
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-/m1/s1
Definition date:	2018-07-10
Last modified:	2025-04-09
Release date:	2019-07-17
Identifier:	4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranose

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