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PX1

PX1
Name:	(1Z)-7-AMINO-1-(HYDROXYMETHYLENE)-2-IMINO-4,6-DIMETHYL-3-OXO-2,3-DIHYDRO-1H-PHENOXAZINE-9-CARBALDEHYDE
Formula:	C16 H13 N3 O6
SMILES:	O=C2C(=[N@H])/C(/C1=Nc3c(OC1=C2C)c(c(cc3C=O)N)C)=CO
InChi:	InChI=1S/C16H13N3O6/c1-4-7(17)3-6(15(21)22)10-13(4)25-14-5(2)12(20)9(18)8(16(23)24)11(14)19-10/h3,18,23-24H,17H2,1-2H3,(H,21,22)/b18-9-
Definition date:	2003-09-10
Last modified:	2024-09-27
Identifier:	(1E,2E)-7-amino-1-(hydroxymethylidene)-2-imino-4,6-dimethyl-3-oxo-2,3-dihydro-1H-phenoxazine-9-carbaldehyde

V4T

V4T
Name:	1-[(4R,7S)-12-chloro-14-fluoro-13-(2-fluoro-6-hydroxyphenyl)-4-methyl-10-oxa-2,5,16,18-tetrazatetracyclo[9.7.1.0^(2,7).0^(15,19)]nonadeca-1(18),11,13,15(19),16-pentaen-5-en-1-one-yl]prop-2
Formula:	C24 H21 Cl F2 N4 O3
SMILES:	C[CH]1CN2[CH](CCOc3c(Cl)c(c(F)c4ncnc2c34)c5c(O)cccc5F)CN1C(=O)C=C
InChi:	InChI=1S/C24H21ClF2N4O3/c1-3-16(33)30-10-13-7-8-34-23-19-22(28-11-29-24(19)31(13)9-12(30)2)21(27)18(20(23)25)17-14(26)5-4-6-15(17)32/h3-6,11-13,32H,1,7-10H2,2H3/t12-,13+/m1/s1
Synonyms:	146250992
Definition date:	2021-04-12
Last modified:	2024-09-27
Release date:	2022-04-20

ZDL

ZDL
Name:	1,3-dimethylimidazolidine
Formula:	C5 H12 N2
SMILES:	CN1CCN(C)C1
InChi:	InChI=1S/C5H12N2/c1-6-3-4-7(2)5-6/h3-5H2,1-2H3
Definition date:	2023-06-23
Last modified:	2024-09-27
Release date:	2023-07-12
Identifier:	1,3-dimethylimidazolidine

YS7

YS7
Name:	(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside
Formula:	C27 H49 N6 O12 P
SMILES:	O=P(O)(O)OCc1cnc(C)c(O)c1CNCC1CCC(N)C(O1)OC1C(O)C(OC2OCC(C)(O)C(NC)C2O)C(N)CC1N
InChi:	InChI=1S/C27H49N6O12P/c1-12-19(34)15(13(7-33-12)10-42-46(38,39)40)9-32-8-14-4-5-16(28)25(43-14)44-22-17(29)6-18(30)23(20(22)35)45-26-21(36)24(31-3)27(2,37)11-41-26/h7,14,16-18,20-26,31-32,34-37H,4-6,8-11,28-30H2,1-3H3,(H2,38,39,40)/t14-,16+,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m0/s1
Definition date:	2021-03-30
Last modified:	2024-09-27
Release date:	2021-09-22
Identifier:	(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2,3,4,6-tetradeoxy-6-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-alpha-D-erythro-hexopyranoside

ZV7

ZV7
Name:	2-chloro-N-(3-oxopropyl)acetohydrazide
Formula:	C5 H9 Cl N2 O2
SMILES:	ClCC(=O)N(N)CCC=O
InChi:	InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
Definition date:	2023-04-06
Last modified:	2024-09-27
Release date:	2024-04-03
Identifier:	2-chloro-N-(3-oxopropyl)acetohydrazide

Y1E

Y1E
Name:	N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Formula:	C30 H27 N3 O2
SMILES:	CC(NC(=O)C(N(C(=O)C=C)c1ccc(cc1)c1ccccc1)c1cccnc1)c1ccccc1
InChi:	InChI=1S/C30H27N3O2/c1-3-28(34)33(27-18-16-25(17-19-27)24-13-8-5-9-14-24)29(26-15-10-20-31-21-26)30(35)32-22(2)23-11-6-4-7-12-23/h3-22,29H,1H2,2H3,(H,32,35)/t22-,29-/m0/s1
Definition date:	2022-12-21
Last modified:	2024-09-27
Release date:	2023-08-09
Identifier:	N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide

PX5

PX5
Name:	4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
Formula:	C13 H9 N O2 S
SMILES:	O=C3C=CC(O)(c1nc2ccccc2s1)C=C3
InChi:	InChI=1S/C13H9NO2S/c15-9-5-7-13(16,8-6-9)12-14-10-3-1-2-4-11(10)17-12/h1-8,16H
Synonyms:	4-(benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dienone
Definition date:	2010-08-30
Last modified:	2024-09-27
Identifier:	4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one

OAA

OAA
Name:	OXALOACETATE ION
Formula:	C4 H3 O5
SMILES:	[O-]C(=O)CC(=O)C(=O)O
InChi:	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	3-carboxy-3-oxopropanoate

QQZ

QQZ
Name:	phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid
Formula:	C7 H10 B N6 O7 P S
SMILES:	OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O
InChi:	InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14)
Definition date:	2017-07-05
Last modified:	2024-09-27
Release date:	2017-12-06
Identifier:	phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid

X9H

X9H
Name:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
Formula:	C23 H20 N6 O
SMILES:	C=CC(=O)NC1C=C(C)c2c(c3c(ncnc3N)n2C1)c1cc2ccccc2nc1
InChi:	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1
Definition date:	2022-11-07
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(5P,8S,10R)-4-amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide

ZDP

ZDP
Name:	(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8-/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2S,6S)-2,6-diamino-2-methylheptanedioic acid

KMQ

KMQ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C19 H29 N5 O14 P2
SMILES:	CC=CCO[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O
InChi:	InChI=1S/C19H29N5O14P2/c1-2-3-4-33-15-13(26)10(37-19(15)28)6-35-40(31,32)38-39(29,30)34-5-9-12(25)14(27)18(36-9)24-8-23-11-16(20)21-7-22-17(11)24/h2-3,7-10,12-15,18-19,25-28H,4-6H2,1H3,(H,29,30)(H,31,32)(H2,20,21,22)/b3-2+/t9-,10-,12-,13-,14-,15-,18-,19+/m1/s1
Definition date:	2019-06-08
Last modified:	2024-09-27
Release date:	2020-04-15
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

RXL

RXL
Name:	Dehydrovaline
Formula:	C5 H9 N O2
SMILES:	CC(C)=C(N)C(O)=O
InChi:	InChI=1S/C5H9NO2/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H,7,8)
Synonyms:	2-azanyl-3-methyl-but-2-enoic acid
Definition date:	2022-12-09
Last modified:	2024-09-27
Release date:	2023-01-18
Identifier:	2-azanyl-3-methyl-but-2-enoic acid

ZDR

ZDR
Name:	(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
Formula:	C8 H16 N2 O4
SMILES:	O=C(O)C(N)(CCCC(N)C(=O)O)C
InChi:	InChI=1S/C8H16N2O4/c1-8(10,7(13)14)4-2-3-5(9)6(11)12/h5H,2-4,9-10H2,1H3,(H,11,12)(H,13,14)/t5-,8+/m0/s1
Definition date:	2006-04-13
Last modified:	2024-09-27
Identifier:	(2R,6S)-2,6-diamino-2-methylheptanedioic acid

UDP

UDP
Name:	URIDINE-5'-DIPHOSPHATE
Formula:	C9 H14 N2 O12 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	uridine 5'-(trihydrogen diphosphate)

4L8

4L8
Name:	(2R)-2-(aminomethyl)-4-methylpentanoic acid
Formula:	C7 H15 N O2
SMILES:	C(C(CN)C(O)=O)C(C)C
InChi:	InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1
Definition date:	2015-04-08
Last modified:	2024-09-27
Release date:	2015-08-26
Identifier:	(2R)-2-(aminomethyl)-4-methylpentanoic acid

V52

V52
Name:	1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
Formula:	C24 H23 Cl N6 O2
SMILES:	CCC(=O)N1CCN2[CH](COc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:	InChI=1S/C24H23ClN6O2/c1-3-19(32)30-6-7-31-14(10-30)11-33-23-21-18(26-12-27-24(21)31)8-15(22(23)25)20-13(2)4-5-17-16(20)9-28-29-17/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,28,29)/t14-/m0/s1
Definition date:	2021-04-14
Last modified:	2024-09-27
Release date:	2022-04-20

PXA

PXA
Name:	2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-3-OXO(8-AZA)PHENOXAZINE
Formula:	C15 H11 N3 O6
SMILES:	O=CC=2C1=Nc3c(ncc(c3OC1=C(C(=O)C=2N)C)C)C=O
InChi:	InChI=1S/C15H11N3O6/c1-4-3-17-10(15(22)23)9-12(4)24-13-5(2)11(19)7(16)6(14(20)21)8(13)18-9/h3H,16H2,1-2H3,(H,20,21)(H,22,23)
Synonyms:	(8-AZA)PHENOXAZINE
Definition date:	1999-07-08
Last modified:	2024-09-27
Identifier:	8-amino-4,6-dimethyl-7-oxo-7H-pyrido[4,3-b][1,4]benzoxazine-1,9-dicarbaldehyde

T5N

T5N
Name:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Br N O2 S
SMILES:	CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

VZB

VZB
Name:	(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C23 H37 N3 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)CO)N(CC21)C(=O)COC1CCCCC1
InChi:	InChI=1S/C23H37N3O5/c1-23(2)17-11-26(18(28)13-31-16-6-4-3-5-7-16)20(19(17)23)22(30)25-15(12-27)10-14-8-9-24-21(14)29/h14-17,19-20,27H,3-13H2,1-2H3,(H,24,29)(H,25,30)/t14-,15+,17-,19-,20-/m0/s1
Synonyms:	MPI64
Definition date:	2023-09-20
Last modified:	2024-09-27
Release date:	2024-09-25
Identifier:	(1R,2S,5R)-3-[(cyclohexyloxy)acetyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

V53

V53
Name:	8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid
Formula:	C11 H11 N2 O6 P
SMILES:	Nc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
InChi:	InChI=1S/C11H11N2O6P/c12-7-3-1-2-6-9(19-5-20(16,17)18)4-8(11(14)15)13-10(6)7/h1-4H,5,12H2,(H,14,15)(H2,16,17,18)
Definition date:	2023-02-21
Last modified:	2024-09-27
Release date:	2023-07-19
Identifier:	8-azanyl-4-(phosphonomethoxy)quinoline-2-carboxylic acid

YF5

YF5
Name:	Agmatinamic acid
Formula:	C10 H22 N4 O5
SMILES:	N[CH](CCCNC(N)=N)[CH](O)C[CH](O)[CH](O)C(O)=O
InChi:	InChI=1S/C10H22N4O5/c11-5(2-1-3-14-10(12)13)6(15)4-7(16)8(17)9(18)19/h5-8,15-17H,1-4,11H2,(H,18,19)(H4,12,13,14)/t5-,6+,7+,8-/m1/s1
Synonyms:	(2R,3S,5S,6R)-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid
Definition date:	2023-12-04
Last modified:	2024-09-27
Release date:	2024-07-24
Identifier:	(2~{R},3~{S},5~{S},6~{R})-6-azanyl-9-carbamimidamido-2,3,5-tris(oxidanyl)nonanoic acid

RXR

RXR
Name:	[2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical
Formula:	C10 H18 N O S2
SMILES:	ON1C(C(=C(CS)C1(C)C)CS)(C)C
InChi:	InChI=1S/C10H19NOS2/c1-9(2)7(5-13)8(6-14)10(3,4)11(9)12/h12-14H,5-6H2,1-4H3
Synonyms:	3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
Definition date:	2010-01-08
Last modified:	2024-09-27
Identifier:	2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol

KMX

KMX
Name:	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
Formula:	C17 H21 N3 O S
SMILES:	CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1
InChi:	InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
Definition date:	2023-08-14
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one

T5Q

T5Q
Name:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H15 F2 N O2 S
SMILES:	CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS
InChi:	InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2024-09-27
Release date:	2021-07-07
Identifier:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide

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