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A1AHI

A1AHI
Name:	3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide
Formula:	C21 H29 Cl2 F N2 O2
SMILES:	Clc1cc(cc(Cl)c1)C(=O)NCC1(F)CCN(CC1)CC1CC(C)(C)OCC1
InChi:	InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
Definition date:	2024-03-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	3,5-dichloro-N-[(1-{[(4S)-2,2-dimethyloxan-4-yl]methyl}-4-fluoropiperidin-4-yl)methyl]benzamide

A1AHJ

A1AHJ
Name:	3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide
Formula:	C19 H26 Cl2 N2 O
SMILES:	Clc1cc(cc(Cl)c1)C(=O)NCC1C2CN(CCC(C)(C)C)CC21
InChi:	InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+
Definition date:	2024-03-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide

A1AHK

A1AHK
Name:	N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2-{4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide
Formula:	C22 H18 F3 N5 O
SMILES:	FC(F)(F)C1(CC1)c1ccc(cc1)CC(=O)Nc1ccn(Cc2ncc(C#N)cc2)n1
InChi:	InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)
Definition date:	2024-03-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2-{4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide

TV0

TV0
Name:	4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one
Formula:	C9 H13 N3 O5 S
SMILES:	NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)[CH]2O
InChi:	InChI=1S/C9H13N3O5S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(17,3-13)18-7/h1-2,5-7,13-15,17H,3H2,(H2,10,11,16)/t5-,6+,7-,9+/m1/s1
Definition date:	2023-04-29
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one

A1AM8

A1AM8
Name:	methyl 3-aminopyridine-4-carboxylate
Formula:	C7 H8 N2 O2
SMILES:	Nc1cnccc1C(=O)OC
InChi:	InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	methyl 3-aminopyridine-4-carboxylate

A1AM9

A1AM9
Name:	(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
Formula:	C11 H12 F N O2
SMILES:	CN1CCC(Oc2cc(F)ccc2)C1=O
InChi:	InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one

A1AMY

A1AMY
Name:	N-[(2-fluorophenyl)methyl]oxan-4-amine
Formula:	C12 H16 F N O
SMILES:	Fc1ccccc1CNC1CCOCC1
InChi:	InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-[(2-fluorophenyl)methyl]oxan-4-amine

A1AMZ

A1AMZ
Name:	(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
Formula:	C6 H6 N4 O2 S
SMILES:	NS(=O)(=O)c1cnc2cccnn12
InChi:	InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide

A1ANA

A1ANA
Name:	4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
Formula:	C9 H14 N4 O
SMILES:	Nc1cn(C)nc1C(=O)NC1CCC1
InChi:	InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide

A1ANB

A1ANB
Name:	2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
Formula:	C11 H15 N O2
SMILES:	O=C(Nc1c(C)cc(C)cc1C)CO
InChi:	InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide

A1ANE

A1ANE
Name:	5-phenyl-1,3,4-oxadiazol-2-ol
Formula:	C8 H6 N2 O2
SMILES:	Oc1nnc(o1)c1ccccc1
InChi:	InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5-phenyl-1,3,4-oxadiazol-2-ol

A1ANF

A1ANF
Name:	1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one
Formula:	C12 H14 Cl N O
SMILES:	O=C(CN1CCCC1)c1ccccc1Cl
InChi:	InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
Definition date:	2024-04-15
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one

A1D64

A1D64
Name:	(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid
Formula:	C9 H12 N2 O2 S
SMILES:	N[CH](CSc1ccc(N)cc1)C(O)=O
InChi:	InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
Synonyms:	S-(4-aminophenyl)cysteine
Definition date:	2024-03-27
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid

TW3

TW3
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate
Formula:	C26 H42 N7 O17 P3 S
SMILES:	CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9,12-13,15,19-21,25,36-37H,5-8,10-11H2,1-4H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20+,21-,25-/m0/s1
Definition date:	2023-05-09
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{S},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-methylbut-2-enethioate

A1H2Y

A1H2Y
Name:	N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide
Formula:	C23 H29 N7 O3
SMILES:	COc1cc(Nc2nccc(n2)c3cc(n(C)n3)C(=O)N[CH](C)CN4CCC4)cc(OC)c1
InChi:	InChI=1S/C23H29N7O3/c1-15(14-30-8-5-9-30)25-22(31)21-13-20(28-29(21)2)19-6-7-24-23(27-19)26-16-10-17(32-3)12-18(11-16)33-4/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,25,31)(H,24,26,27)/t15-/m0/s1
Synonyms:	~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide
Definition date:	2024-01-24
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide

YRV

YRV
Name:	S-[(3-methylphenyl)methyl]-L-cysteine
Formula:	C11 H15 N O2 S
SMILES:	O=C(O)C(N)CSCc1cccc(C)c1
InChi:	InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1
Definition date:	2021-03-29
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	S-[(3-methylphenyl)methyl]-L-cysteine

YV6

YV6
Name:	methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate
Formula:	C24 H36 N4 O6 S
SMILES:	O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(=O)CCCS)C(C)C
InChi:	InChI=1S/C24H36N4O6S/c1-15(2)21(26-20(30)10-6-12-35)22(31)25-19(14-16-7-4-8-17(29)13-16)23(32)28-11-5-9-18(27-28)24(33)34-3/h4,7-8,13,15,18-19,21,27,29,35H,5-6,9-12,14H2,1-3H3,(H,25,31)(H,26,30)/t18-,19-,21-/m0/s1
Definition date:	2023-02-22
Last modified:	2024-04-19
Release date:	2023-08-16
Identifier:	methyl (3S)-1-[N-(4-sulfanylbutanoyl)-L-valyl-3-hydroxy-L-phenylalanyl]-1,2-diazinane-3-carboxylate

Z50

Z50
Name:	3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid
Formula:	C16 H22 N4 O2 S2
SMILES:	Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2
InChi:	InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22)
Synonyms:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid

9UU

9UU
Name:	1-(4-hydroxyphenyl)pyrrole-2,5-dione
Formula:	C10 H7 N O3
SMILES:	Oc1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
Definition date:	2023-04-28
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	1-(4-hydroxyphenyl)pyrrole-2,5-dione

Z9J

Z9J
Name:	3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid
Formula:	C13 H19 N O2 S2
SMILES:	NCCSCc1cccc(CSCCC(O)=O)c1
InChi:	InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16)
Synonyms:	3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid

ZJU

ZJU
Name:	N-SUCCINYL-ASPARTIC ACID
Formula:	C8 H11 N O7
SMILES:	OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C8H11NO7/c10-5(1-2-6(11)12)9-4(8(15)16)3-7(13)14/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)/t4-/m0/s1
Synonyms:	2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid

ZKO

ZKO
Name:	N-SUCCINYL-GLUTAMINE
Formula:	C9 H14 N2 O6
SMILES:	NC(=O)CC[CH](NC(=O)CCC(O)=O)C(O)=O
InChi:	InChI=1S/C9H14N2O6/c10-6(12)2-1-5(9(16)17)11-7(13)3-4-8(14)15/h5H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)(H,16,17)/t5-/m0/s1
Synonyms:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid

ZLF

ZLF
Name:	S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE
Formula:	C11 H14 F N O2 S
SMILES:	Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1
InChi:	InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1
Synonyms:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
Definition date:	2024-01-22
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid

ZQF

ZQF
Name:	2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
Formula:	C38 H42 N4 O10 S2
SMILES:	O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1
InChi:	InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48)
Definition date:	2023-03-20
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid

QU0

QU0
Name:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide
Formula:	C25 H34 N4 O4 S
SMILES:	CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1
InChi:	InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1
Definition date:	2023-08-21
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide

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