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8B9

8B9
Name:	2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose
Formula:	C8 H15 N O5
SMILES:	CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1
Synonyms:	N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
Definition date:	2017-06-02
Last modified:	2024-09-27
Release date:	2017-10-25
Identifier:	~{N}-[(2~{S},3~{R},4~{S},6~{S})-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide

8BB

8BB
Name:	trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid
Formula:	C10 H16 N2 O3 S
SMILES:	O=C(O)C1CCC(C(=O)NC(=CS)N)CC1
InChi:	InChI=1S/C10H16N2O3S/c11-8(5-16)12-9(13)6-1-3-7(4-2-6)10(14)15/h5-7,16H,1-4,11H2,(H,12,13)(H,14,15)/b8-5+/t6-,7-
Definition date:	2012-01-04
Last modified:	2024-09-27
Identifier:	trans-4-{[(E)-1-amino-2-sulfanylethenyl]carbamoyl}cyclohexanecarboxylic acid

8BP

8BP
Name:	N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Formula:	C19 H26 F N9 O
SMILES:	C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2)c4c(n3)n(cn4)C(C)C)F
InChi:	InChI=1S/C19H26FN9O/c1-5-15(30)24-14-9-28(8-13(14)20)19-25-17(23-12-6-22-27(4)7-12)16-18(26-19)29(10-21-16)11(2)3/h6-7,10-11,13-14H,5,8-9H2,1-4H3,(H,24,30)(H,23,25,26)/t13-,14-/m1/s1
Definition date:	2017-01-17
Last modified:	2024-09-27
Release date:	2017-03-22
Identifier:	N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

8BS

8BS
Name:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Formula:	C18 H24 F N9 O2
SMILES:	C1C(NC(CC)=O)C(CN1c3nc(Nc2cn(C)nc2OC)c4c(n3)n(cn4)C)F
InChi:	InChI=1S/C18H24FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h7,9-11H,5-6,8H2,1-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1
Definition date:	2017-01-17
Last modified:	2024-09-27
Release date:	2017-03-22
Identifier:	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

NW3

NW3
Name:	(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C16 H21 N3 O4 S
SMILES:	O=C(NC(C=O)C1NC(C(=O)O)C(C)(C)S1)C(N)c1ccccc1
InChi:	InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-14(24-16)10(8-20)18-13(21)11(17)9-6-4-3-5-7-9/h3-8,10-12,14,19H,17H2,1-2H3,(H,18,21)(H,22,23)/t10-,11-,12-,14-/m0/s1
Definition date:	2022-04-11
Last modified:	2024-09-27
Release date:	2022-05-25
Identifier:	(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

NWJ

NWJ
Name:	2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C18 H16 N6 O
SMILES:	O=Cc1cccc(c1)c3c(C#N)c2c(nc(nc2n3)N)N4CCCC4
InChi:	InChI=1S/C18H16N6O/c19-9-13-14-16(21-15(13)12-5-3-4-11(8-12)10-25)22-18(20)23-17(14)24-6-1-2-7-24/h3-5,8,10H,1-2,6-7H2,(H3,20,21,22,23)
Definition date:	2014-01-15
Last modified:	2024-09-27
Release date:	2015-01-21
Identifier:	2-amino-6-(3-formylphenyl)-4-(pyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

8CY

8CY
Name:	ruthenocenyl-7-aminodesacetoxycephalosporanic acid, bound form
Formula:	C22 H15 N2 O6 Ru S
SMILES:	C%12SC(C(C(=O)O)NC(=O)CCC(C9%10C8C7C%11[Ru]6432789(C1C5C4C3C12)C%10%11)=O)NC(=C%12C)C(=O)O
InChi:	InChI=1S/C17H19N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10
Definition date:	2017-01-19
Last modified:	2024-09-27
Release date:	2017-02-08
Identifier:	[(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5-methyl-3,6-dihydro-2H-1,3-thiazin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium

NX0

NX0
Name:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one
Formula:	C10 H12 N2 O2
SMILES:	CCC(=O)N1CCOc2ncccc12
InChi:	InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-10-8(12)4-3-5-11-10/h3-5H,2,6-7H2,1H3
Synonyms:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)prop-2-en-1-one (precursor)
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)propan-1-one

NX6

NX6
Name:	N-[(benzyloxy)carbonyl]-L-aspartic acid
Formula:	C12 H13 N O6
SMILES:	O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O
InChi:	InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
Definition date:	2011-01-26
Last modified:	2024-09-27
Identifier:	N-[(benzyloxy)carbonyl]-L-aspartic acid

NXC

NXC
Name:	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)
Formula:	C23 H33 Cl N3 O5 P Pt
SMILES:	CCO[P](=O)(CCCc1cc2CN(C)(C)\|[Pt]3(Cl)\|N(C)(C)Cc(c1)c23)Oc4ccc(cc4)[N+]([O-])=O
InChi:	InChI=1S/C23H33N3O5P.ClH.Pt/c1-6-30-32(29,31-23-11-9-22(10-12-23)26(27)28)13-7-8-19-14-20(17-24(2)3)16-21(15-19)18-25(4)5
Synonyms:	ethyl 4-nitrophenyl P-[3-(4-(chloroplatino)-1,3-bis > [(dimethylamino)methyl]-phenyl)propyl]phosphonate
Definition date:	2008-09-12
Last modified:	2024-09-27

8DN

8DN
Name:	1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole
Formula:	C11 H13 N3
SMILES:	Cc1cc(C)cc(c1)n1cc(C)nn1
InChi:	InChI=1S/C11H13N3/c1-8-4-9(2)6-11(5-8)14-7-10(3)12-13-14/h4-7H,1-3H3
Definition date:	2021-09-14
Last modified:	2024-09-27
Release date:	2021-11-03
Identifier:	1-(3,5-dimethylphenyl)-4-methyl-1H-1,2,3-triazole

NXI

NXI
Name:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide
Formula:	C11 H13 N3 O
SMILES:	CCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C11H13N3O/c1-2-11(15)12-6-8-3-4-10-9(5-8)7-13-14-10/h3-5,7H,2,6H2,1H3,(H,12,15)(H,13,14)
Synonyms:	N-(1H-indazol-5-ylmethyl)prop-2-enamide (precursor)
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	~{N}-(1~{H}-indazol-5-ylmethyl)propanamide

NXL

NXL
Name:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide
Formula:	C7 H13 N3 O6 S
SMILES:	O=CN1C(C(N)=O)CCC(C1)NOS(=O)(O)=O
InChi:	InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1
Synonyms:	avibactam, bound form
Definition date:	2012-01-25
Last modified:	2024-09-27
Identifier:	(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide

NXN

NXN
Name:	2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE
Formula:	C10 H11 Cl2 N O2 S
SMILES:	Clc1cc(Cl)ccc1OCC(=O)NCCS
InChi:	InChI=1S/C10H11Cl2NO2S/c11-7-1-2-9(8(12)5-7)15-6-10(14)13-3-4-16/h1-2,5,16H,3-4,6H2,(H,13,14)
Synonyms:	DICA
Definition date:	2004-02-27
Last modified:	2024-09-27
Identifier:	2-(2,4-dichlorophenoxy)-N-(2-sulfanylethyl)acetamide

NXU

NXU
Name:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(NC(C1SC(C(N1)C(=O)O)(C)C)CO)c3c2ccccc2ccc3O
InChi:	InChI=1S/C19H22N2O5S/c1-19(2)15(18(25)26)21-17(27-19)12(9-22)20-16(24)14-11-6-4-3-5-10(11)7-8-13(14)23/h3-8,12,15,17,21-23H,9H2,1-2H3,(H,20,24)(H,25,26)/t12-,15+,17-/m1/s1
Definition date:	2014-09-12
Last modified:	2024-09-27
Release date:	2014-09-24
Identifier:	(2R,4S)-2-[(1R)-2-hydroxy-1-{[(2-hydroxynaphthalen-1-yl)carbonyl]amino}ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

8E7

8E7
Name:	2-(decylamino)ethane-1-thiol
Formula:	C12 H27 N S
SMILES:	CCCCCCCCCCNCCS
InChi:	InChI=1S/C12H27NS/c1-2-3-4-5-6-7-8-9-10-13-11-12-14/h13-14H,2-12H2,1H3
Definition date:	2017-01-27
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	2-(decylamino)ethane-1-thiol

8E8

8E8
Name:	1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one
Formula:	C25 H26 N6 O2
SMILES:	CCC(=O)N1CCC[CH](C1)n2nc(c3ccc(Oc4ccccc4)cc3)c5c(N)ncnc25
InChi:	InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1
Synonyms:	Ibrutinib (bound form)
Definition date:	2016-10-20
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

NY0

NY0
Name:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one
Formula:	C11 H12 N2 O2
SMILES:	CCC(=O)N1CC(=Nc2ccccc12)O
InChi:	InChI=1S/C11H12N2O2/c1-2-11(15)13-7-10(14)12-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,12,14)
Synonyms:	4-prop-2-enoyl-1,3-dihydroquinoxalin-2-one (precursor)
Definition date:	2022-08-24
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	1-(3-oxidanyl-2~{H}-quinoxalin-1-yl)propan-1-one

NYG

NYG
Name:	[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
Formula:	C15 H16 N4 O5
SMILES:	O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=Cc2ccc(O)cc2
InChi:	InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1
Synonyms:	CHROMOPHORE (ASN-TYR-GLY)
Definition date:	2007-01-19
Last modified:	2024-09-27
Identifier:	{(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

NYS

NYS
Name:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine
Formula:	C11 H16 N2 O5 S
SMILES:	O=C(O)C(N)CSc1cc(cc(O)c1O)C(O)CN
InChi:	InChI=1S/C11H16N2O5S/c12-3-8(15)5-1-7(14)10(16)9(2-5)19-4-6(13)11(17)18/h1-2,6,8,14-16H,3-4,12-13H2,(H,17,18)/t6-,8-/m0/s1
Definition date:	2007-10-08
Last modified:	2024-09-27
Identifier:	S-{5-[(1R)-2-amino-1-hydroxyethyl]-2,3-dihydroxyphenyl}-L-cysteine

NYX

NYX
Name:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide
Formula:	C10 H10 Cl N3 O
SMILES:	ClCC(=O)NCc1ccc2[nH]ncc2c1
InChi:	InChI=1S/C10H10ClN3O/c11-4-10(15)12-5-7-1-2-9-8(3-7)6-13-14-9/h1-3,6H,4-5H2,(H,12,15)(H,13,14)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-09-28
Identifier:	2-chloranyl-~{N}-(1~{H}-indazol-5-ylmethyl)ethanamide

NZ6

NZ6
Name:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
Formula:	C27 H28 Cl N5 O
SMILES:	CCC(=O)N1CC2(CC(C2)n3nc(c4ccccc4)c(c3C)c5c(Cl)c(C)cc6[nH]ncc56)C1
InChi:	InChI=1S/C27H28ClN5O/c1-4-22(34)32-14-27(15-32)11-19(12-27)33-17(3)23(26(31-33)18-8-6-5-7-9-18)24-20-13-29-30-21(20)10-16(2)25(24)28/h5-10,13,19H,4,11-12,14-15H2,1-3H3,(H,29,30)
Synonyms:	[6-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]prop-2-en-1-one (precursor)
Definition date:	2022-08-25
Last modified:	2024-09-27
Release date:	2022-12-07
Identifier:	1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one

8FQ

8FQ
Name:	~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
Formula:	C24 H27 F N6 O3
SMILES:	COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34
InChi:	InChI=1S/C24H27FN6O3/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32)/t16-/m0/s1
Definition date:	2017-02-06
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide

8FT

8FT
Name:	2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
Formula:	C26 H31 F N6 O3
SMILES:	CCN1Cc2cccc(C(=O)N[CH](CCCNC(=N)CF)c3nc4c(OC)cccc4n3C)c2C1=O
InChi:	InChI=1S/C26H31FN6O3/c1-4-33-15-16-8-5-9-17(22(16)26(33)35)25(34)30-18(10-7-13-29-21(28)14-27)24-31-23-19(32(24)2)11-6-12-20(23)36-3/h5-6,8-9,11-12,18H,4,7,10,13-15H2,1-3H3,(H2,28,29)(H,30,34)/t18-/m0/s1
Definition date:	2017-02-06
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	2-ethyl-~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxamide

8FW

8FW
Name:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide
Formula:	C22 H22 N6 O2
SMILES:	CC(=N)NCCC[CH](NC(=O)c1cccc2C=NC(=O)c12)c3[nH]c4ccccc4n3
InChi:	InChI=1S/C22H22N6O2/c1-13(23)24-11-5-10-18(20-26-16-8-2-3-9-17(16)27-20)28-21(29)15-7-4-6-14-12-25-22(30)19(14)15/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,23,24)(H,26,27)(H,28,29)/t18-/m0/s1
Definition date:	2017-02-06
Last modified:	2024-09-27
Release date:	2017-05-24
Identifier:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-4-(ethanimidoylamino)butyl]-3-oxidanylidene-isoindole-4-carboxamide

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