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G5U

G5U
Name:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide
Formula:	C27 H42 N6 O3
SMILES:	CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:	InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34)
Definition date:	2021-12-16
Last modified:	2024-09-27
Release date:	2022-07-06
Identifier:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide

TKG

TKG
Name:	1-[[6-(1-$l^{1}-oxidanylethyl)-4-$l^{3}-oxidanylidene-2,3,6,8~{a}-tetrahydropteridin-2-yl]-$l^{2}-azanyl]ethanone
Formula:	C10 H9 N5 O3
SMILES:	C(C)(NC1=Nc2c(C(=O)N1)nc(cn2)C(C)=O)=O
InChi:	InChI=1S/C10H9N5O3/c1-4(16)6-3-11-8-7(13-6)9(18)15-10(14-8)12-5(2)17/h3H,1-2H3,(H2,11,12,14,15,17,18)
Definition date:	2020-03-24
Last modified:	2024-09-27
Release date:	2020-08-05
Identifier:	N-(6-acetyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide

TKH

TKH
Name:	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
Formula:	C16 H9 Br F2 N2 O
SMILES:	Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H
Definition date:	2021-01-05
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde

TKI

TKI
Name:	2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
Formula:	C10 H16 N4 O2
SMILES:	CCc1nc(CC)nc(n1)N(C)CC(O)=O
InChi:	InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
Synonyms:	2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)
Definition date:	2023-01-06
Last modified:	2024-09-27
Release date:	2023-11-29
Identifier:	2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid

1U8

1U8
Name:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid
Formula:	C14 H17 N O5
SMILES:	O=C(O)CC(N)C(=O)COC(=O)c1c(cccc1C)C
InChi:	InChI=1S/C14H17NO5/c1-8-4-3-5-9(2)13(8)14(19)20-7-11(16)10(15)6-12(17)18/h3-5,10H,6-7,15H2,1-2H3,(H,17,18)/t10-/m0/s1
Definition date:	2013-03-28
Last modified:	2024-09-27
Release date:	2013-06-12
Identifier:	(3S)-3-amino-5-[(2,6-dimethylbenzoyl)oxy]-4-oxopentanoic acid

TKK

TKK
Name:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
Formula:	C16 H10 Br2 N2 O
SMILES:	Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H
Definition date:	2021-01-06
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde

TKL

TKL
Name:	(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid
Formula:	C13 H25 N5 O2
SMILES:	O=C(C(n1cc(nn1)C(CCCCN)N)CC(C)C)O
InChi:	InChI=1S/C13H25N5O2/c1-9(2)7-12(13(19)20)18-8-11(16-17-18)10(15)5-3-4-6-14/h8-10,12H,3-7,14-15H2,1-2H3,(H,19,20)/t10-,12-/m0/s1
Definition date:	2005-07-29
Last modified:	2024-09-27
Identifier:	(2S)-2-{4-[(1S)-1,5-diaminopentyl]-1H-1,2,3-triazol-1-yl}-4-methylpentanoic acid

TKP

TKP
Name:	2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C27 H40 Cl N3 O5
SMILES:	CC(C)(COC(=O)NC(CC1CCCCC1)C(NC(CC2C(=O)NCC2)CO)=O)c3cc(ccc3)Cl
InChi:	InChI=1S/C27H40ClN3O5/c1-27(2,20-9-6-10-21(28)15-20)17-36-26(35)31-23(13-18-7-4-3-5-8-18)25(34)30-22(16-32)14-19-11-12-29-24(19)33/h6,9-10,15,18-19,22-23,32H,3-5,7-8,11-14,16-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t19-,22-,23-/m0/s1
Definition date:	2020-03-24
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

TKS

TKS
Name:	2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C27 H40 Cl N3 O5 S
SMILES:	C1C(CCCC1)CC(C(NC(C(S)O)CC2C(=O)NCC2)=O)NC(=O)OCC(C)(C)c3cc(Cl)ccc3
InChi:	InChI=1S/C27H40ClN3O5S/c1-27(2,19-9-6-10-20(28)15-19)16-36-26(35)31-21(13-17-7-4-3-5-8-17)24(33)30-22(25(34)37)14-18-11-12-29-23(18)32/h6,9-10,15,17-18,21-22,25,34,37H,3-5,7-8,11-14,16H2,1-2H3,(H,29,32)(H,30,33)(H,31,35)/t18-,21-,22-,25+/m0/s1
Definition date:	2020-03-24
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate

TKV

TKV
Name:	N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
Formula:	C24 H36 Cl N3 O5 S
SMILES:	CC(COC(=O)NC(C(NC(C(S)O)CC1C(=O)NCC1)=O)CC(C)C)(c2cc(Cl)ccc2)C
InChi:	InChI=1S/C24H36ClN3O5S/c1-14(2)10-18(21(30)27-19(22(31)34)11-15-8-9-26-20(15)29)28-23(32)33-13-24(3,4)16-6-5-7-17(25)12-16/h5-7,12,14-15,18-19,22,31,34H,8-11,13H2,1-4H3,(H,26,29)(H,27,30)(H,28,32)/t15-,18-,19-,22+/m0/s1
Definition date:	2020-03-24
Last modified:	2024-09-27
Release date:	2020-09-30
Identifier:	N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide

TKX

TKX
Name:	5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Formula:	C13 H8 Br Cl N2 O4
SMILES:	O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C13H8BrClN2O4/c14-9-4-13(11(6-18)16-5-9)21-7-8-1-2-10(15)12(3-8)17(19)20/h1-6H,7H2
Definition date:	2022-07-27
Last modified:	2024-09-27
Release date:	2023-06-28
Identifier:	5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde

G6K

G6K
Name:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one
Formula:	C22 H28 N8 O2 S
SMILES:	O=C(N5CCC(Nc1nc(cc(n1)Nc2nc3cccnc3s2)CN4CCOCC4)C5)CC
InChi:	InChI=1S/C22H28N8O2S/c1-2-19(31)30-7-5-15(14-30)24-21-25-16(13-29-8-10-32-11-9-29)12-18(27-21)28-22-26-17-4-3-6-23-20(17)33-22/h3-4,6,12,15H,2,5,7-11,13-14H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1
Definition date:	2013-05-03
Last modified:	2024-09-27
Release date:	2013-08-21
Identifier:	1-[(3S)-3-{[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino}pyrrolidin-1-yl]propan-1-one

TLA

TLA
Name:	L(+)-TARTARIC ACID
Formula:	C4 H6 O6
SMILES:	O=C(O)C(O)C(O)C(=O)O
InChi:	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1
Definition date:	2002-01-22
Last modified:	2024-09-27
Identifier:	(2R,3R)-2,3-dihydroxybutanedioic acid

TLK

TLK
Name:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C17 H14 N2 O2
SMILES:	COc1cc(C=O)ccc1n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-21-16-11-13(12-20)7-8-15(16)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
Definition date:	2021-01-11
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

G74

G74
Name:	ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Formula:	C16 H28 N2 O5
SMILES:	O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1
InChi:	InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
Definition date:	2011-07-24
Last modified:	2024-09-27
Identifier:	ethyl (4R)-4-[(tert-butoxycarbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

G75

G75
Name:	ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Formula:	C28 H35 N3 O6
SMILES:	O=C(OCc1ccccc1)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3
InChi:	InChI=1S/C28H35N3O6/c1-2-36-25(32)14-13-23(18-22-15-16-29-26(22)33)30-27(34)24(17-20-9-5-3-6-10-20)31-28(35)37-19-21-11-7-4-8-12-21/h3-12,22-24H,2,13-19H2,1H3,(H,29,33)(H,30,34)(H,31,35)/t22-,23+,24-/m0/s1
Definition date:	2011-07-24
Last modified:	2024-09-27
Identifier:	ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate

TLQ

TLQ
Name:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
Formula:	C20 H14 N2 O
SMILES:	O=Cc1ccc(n2ccnc2c3ccccc3)c4ccccc14
InChi:	InChI=1S/C20H14N2O/c23-14-16-10-11-19(18-9-5-4-8-17(16)18)22-13-12-21-20(22)15-6-2-1-3-7-15/h1-14H
Definition date:	2021-01-11
Last modified:	2024-09-27
Release date:	2021-06-16
Identifier:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde

TLX

TLX
Name:	N1-(2-AMINO-4-METHYLPENTYL)OCTAHYDRO-PYRROLO[1,2-A] PYRIMIDINE
Formula:	C13 H27 N3
SMILES:	N21CCCC1N(CCC2)CC(N)CC(C)C
InChi:	InChI=1S/C13H27N3/c1-11(2)9-12(14)10-16-8-4-7-15-6-3-5-13(15)16/h11-13H,3-10,14H2,1-2H3/t12-,13+/m0/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	(2S)-1-[(8aR)-hexahydropyrrolo[1,2-a]pyrimidin-1(2H)-yl]-4-methylpentan-2-amine

TLY

TLY
Name:	(2S)-2-azanyl-6-(ethanethioylamino)hexanoic acid
Formula:	C8 H16 N2 O2 S
SMILES:	O=C(O)C(N)CCCCNC(=S)C
InChi:	InChI=1S/C8H16N2O2S/c1-6(13)10-5-3-2-4-7(9)8(11)12/h7H,2-5,9H2,1H3,(H,10,13)(H,11,12)/t7-/m0/s1
Synonyms:	6-N-thiolacetyl-L-lysine
Definition date:	2010-03-04
Last modified:	2024-09-27
Identifier:	N~6~-ethanethioyl-L-lysine

G7F

G7F
Name:	N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide
Formula:	C12 H16 N2 O S
SMILES:	CN(Cc1sc2CCCCc2n1)C(=O)C=C
InChi:	InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3
Definition date:	2020-08-04
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide

G7I

G7I
Name:	Brigimadlin
Formula:	C31 H25 Cl2 F N4 O3
SMILES:	Cc1c(ccc2c3C[CH]4[CH]([CH](c5cccc(Cl)c5F)[C]6(N4CC7CC7)C(=O)Nc8cc(Cl)ccc68)n3nc12)C(O)=O
InChi:	InChI=1S/C31H25Cl2FN4O3/c1-14-17(29(39)40)8-9-18-23-12-24-28(38(23)36-27(14)18)25(19-3-2-4-21(33)26(19)34)31(37(24)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-11,15,24-25,28H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,28+,31+/m0/s1
Definition date:	2023-07-20
Last modified:	2024-09-27
Release date:	2024-10-02

G7J

G7J
Name:	5-hydroxy-1,2-dihydro-6H-indol-6-one
Formula:	C8 H7 N O2
SMILES:	N1CC=C2C=C(O)C(C=C12)=O
InChi:	InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1,3-4,9-10H,2H2
Definition date:	2018-05-11
Last modified:	2024-09-27
Release date:	2019-03-20
Identifier:	5-hydroxy-1,2-dihydro-6H-indol-6-one

G7M

G7M
Name:	N7-METHYL-GUANOSINE-5'-MONOPHOSPHATE
Formula:	C11 H17 N5 O8 P
SMILES:	O=P(O)(O)OCC1OC(n2c[n+](C)c3c2N=C(N)NC3=O)C(O)C1O
InChi:	InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	7-methylguanosine 5'-(dihydrogen phosphate)

G7O

G7O
Name:	N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide
Formula:	C14 H14 N2 O S
SMILES:	C=CC(=O)N(Cc1sc2ccccc2n1)C3CC3
InChi:	InChI=1S/C14H14N2OS/c1-2-14(17)16(10-7-8-10)9-13-15-11-5-3-4-6-12(11)18-13/h2-6,10H,1,7-9H2
Definition date:	2020-08-04
Last modified:	2024-09-27
Release date:	2022-06-22
Identifier:	~{N}-(1,3-benzothiazol-2-ylmethyl)-~{N}-cyclopropyl-prop-2-enamide

TM8

TM8
Name:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide
Formula:	C33 H34 N2 O5 S
SMILES:	N(C(OCc1ccccc1)=O)C(Cc2ccccc2)C(=O)NC(CCS(c3ccccc3)(=O)=O)Cc4ccccc4
InChi:	InChI=1S/C33H34N2O5S/c36-32(31(24-27-15-7-2-8-16-27)35-33(37)40-25-28-17-9-3-10-18-28)34-29(23-26-13-5-1-6-14-26)21-22-41(38,39)30-19-11-4-12-20-30/h1-20,29,31H,21-25H2,(H,34,36)(H,35,37)/t29-,31+/m1/s1
Definition date:	2019-11-07
Last modified:	2024-09-27
Release date:	2020-11-25
Identifier:	Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide

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