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M6L

M6L
Name:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate
Formula:	C26 H36 N4 O5
SMILES:	CCC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc1)[CH](O)C(=O)NCc2ccccn2
InChi:	InChI=1S/C26H36N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-23,31H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22-,23-/m0/s1
Definition date:	2022-07-25
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate

R4O

R4O
Name:	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
Formula:	C12 H13 N5 O6 S2
SMILES:	COC(=O)c1sccc1[S](=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2
InChi:	InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
Synonyms:	Thifensulfuron-methyl
Definition date:	2023-03-31
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate

IY0

IY0
Name:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate
Formula:	C9 H10 N3 O8 P
SMILES:	NC1=NC(=O)N(C=C1)c2oc(CO[P](O)(O)=O)c(O)c2O
InChi:	InChI=1S/C9H10N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
Definition date:	2022-08-02
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)furan-2-yl]methyl dihydrogen phosphate

R9X

R9X
Name:	[(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
Formula:	C21 H30 N O4 P
SMILES:	CCCCCCCCCC(=O)N[CH](c1cccc2ccccc12)[P](O)(O)=O
InChi:	InChI=1S/C21H30NO4P/c1-2-3-4-5-6-7-8-16-20(23)22-21(27(24,25)26)19-15-11-13-17-12-9-10-14-18(17)19/h9-15,21H,2-8,16H2,1H3,(H,22,23)(H2,24,25,26)/t21-/m1/s1
Definition date:	2022-11-28
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	[(~{R})-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid

RXF

RXF
Name:	methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate
Formula:	C15 H18 N6 O6 S
SMILES:	CCOc1nc(NC)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(=O)OC)n1
InChi:	InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)
Synonyms:	Ethametsulfuron methyl
Definition date:	2023-04-03
Last modified:	2023-07-28
Release date:	2023-08-02
Identifier:	methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate

P8F

P8F
Name:	Pentacycline
Formula:	C29 H30 F N3 O7
SMILES:	CN(C)[CH]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O
InChi:	InChI=1S/C29H30FN3O7/c1-32(2)22-18-8-15-7-14-6-13-4-3-12(9-33-10-16(30)11-33)5-17(13)23(34)19(14)24(35)20(15)26(37)29(18,40)27(38)21(25(22)36)28(31)39/h3-6,15-16,18,22,34,36-37,40H,7-11H2,1-2H3,(H2,31,39)/t15-,18-,22-,29-/m0/s1
Synonyms:	(4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide
Definition date:	2023-02-09
Last modified:	2023-07-25
Release date:	2023-07-26
Identifier:	(4~{S},4~{a}~{S},5~{a}~{R},14~{a}~{S})-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14~{a}-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4~{a},5,5~{a},6-tetrahydro-4~{H}-pentacene-2-carboxamide

W78

W78
Name:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one
Formula:	C20 H22 F N9 O10 P2 S2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](O)[CH](CO[P](S)(=O)O[CH]4[CH]3F)O[CH]5n6cnc7C(=O)NN=Cc67
InChi:	InChI=1S/C20H22FN9O10P2S2/c21-10-14-9(38-19(10)30-6-26-12-16(22)23-4-24-17(12)30)3-36-42(34,44)40-15-13(31)8(2-35-41(33,43)39-14)37-20(15)29-5-25-11-7(29)1-27-28-18(11)32/h1,4-6,8-10,13-15,19-20,31H,2-3H2,(H,28,32)(H,33,43)(H,34,44)(H2,22,23,24)/t8-,9-,10-,13-,14-,15-,19-,20-,41-,42-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one

X5T

X5T
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~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C37 H49 N9 O16 P2
SMILES:	COCCO[CH]1CC[CH](CC1)NC2=CC(=O)N(C)c3ccc(cc23)c4cnn(c4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O
InChi:	InChI=1S/C37H49N9O16P2/c1-44-25-8-3-19(11-23(25)24(12-28(44)47)43-21-4-6-22(7-5-21)57-10-9-56-2)20-13-42-46(14-20)37-33(51)31(49)27(61-37)16-59-64(54,55)62-63(52,53)58-15-26-30(48)32(50)36(60-26)45-18-41-29-34(38)39-17-40-35(29)45/h3,8,11-14,17-18,21-22,26-27,30-33,36-37,43,48-51H,4-7,9-10,15-16H2,1-2H3,(H,52,53)(H,54,55)(H2,38,39,40)/t21-,22-,26-,27-,30-,31-,32-,33-,36-,37-/m1/s1
Definition date:	2023-06-01
Last modified:	2023-07-21
Release date:	2023-07-26
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~{S},4~{R},5~{R})-5-[4-[4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-2-oxidanylidene-quinolin-6-yl]pyrazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

ZQK

ZQK
Name:	Dehydroepiandrosterone sulfate
Formula:	C19 H28 O5 S
SMILES:	O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
InChi:	InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14+,15+,16+,18+,19+/m1/s1
Synonyms:	17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate
Definition date:	2023-03-20
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate

ZQW

ZQW
Name:	N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine
Formula:	C28 H24 N2 O5
SMILES:	O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1ccccc1
InChi:	InChI=1S/C28H24N2O5/c31-26(32)18-17-24(30-27(33)22-14-8-10-19-9-4-5-13-21(19)22)28(34)29-23-15-6-7-16-25(23)35-20-11-2-1-3-12-20/h1-16,24H,17-18H2,(H,29,34)(H,30,33)(H,31,32)/t24-/m0/s1
Definition date:	2023-03-22
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine

ZQZ

ZQZ
Name:	N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
Formula:	C29 H26 N2 O6
SMILES:	O=C(O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1cc(OC)ccc1
InChi:	InChI=1S/C29H26N2O6/c1-36-20-10-7-11-21(18-20)37-26-15-5-4-14-24(26)30-29(35)25(16-17-27(32)33)31-28(34)23-13-6-9-19-8-2-3-12-22(19)23/h2-15,18,25H,16-17H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1
Definition date:	2023-03-22
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine

ZRU

ZRU
Name:	(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C17 H19 N7 O2
SMILES:	COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1CC1
InChi:	InChI=1S/C17H19N7O2/c1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23)
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZS3

ZS3
Name:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C21 H18 F2 N8 O2
SMILES:	Fc1cccnc1N1C=CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1=O
InChi:	InChI=1S/C21H18F2N8O2/c1-24-17-9-16(29-18-11(10-26-31(17)18)20(32)28-15-8-13(15)23)27-14-5-3-7-30(21(14)33)19-12(22)4-2-6-25-19/h2-7,9-10,13,15,24H,8H2,1H3,(H,27,29)(H,28,32)/t13-,15+/m0/s1
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZSB

ZSB
Name:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C23 H24 N8 O3
SMILES:	COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC1=CC=CN(c2ccccn2)C1=O)NC
InChi:	InChI=1S/C23H24N8O3/c1-24-20-12-18(27-16-6-5-11-30(23(16)33)19-7-3-4-10-25-19)29-21-14(13-26-31(20)21)22(32)28-15-8-9-17(15)34-2/h3-7,10-13,15,17,24H,8-9H2,1-2H3,(H,27,29)(H,28,32)/t15-,17-/m1/s1
Synonyms:	TAK-279
Definition date:	2023-03-28
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide

ZTQ

ZTQ
Name:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
Formula:	C15 H14 O3
SMILES:	CC(Oc1ccc(cc1)c1ccccc1)C(=O)O
InChi:	InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid

ZU7

ZU7
Name:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
Formula:	C12 H16 F N3 O
SMILES:	O=C(CN1CCNCC1)Nc1ccc(F)cc1
InChi:	InChI=1S/C12H16FN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide

ZUC

ZUC
Name:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide
Formula:	C13 H11 F N2 O2
SMILES:	O=C(Nc1c(C)cccc1O)c1ccncc1F
InChi:	InChI=1S/C13H11FN2O2/c1-8-3-2-4-11(17)12(8)16-13(18)9-5-6-15-7-10(9)14/h2-7,17H,1H3,(H,16,18)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide

ZUW

ZUW
Name:	1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one
Formula:	C11 H13 N O2
SMILES:	CC(=O)N1Cc2ccccc2OCC1
InChi:	InChI=1S/C11H13NO2/c1-9(13)12-6-7-14-11-5-3-2-4-10(11)8-12/h2-5H,6-8H2,1H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one

ZUZ

ZUZ
Name:	methyl N-(cyclohexanecarbonyl)glycinate
Formula:	C10 H17 N O3
SMILES:	O=C(NCC(=O)OC)C1CCCCC1
InChi:	InChI=1S/C10H17NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,13)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	methyl N-(cyclohexanecarbonyl)glycinate

ZV2

ZV2
Name:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide
Formula:	C11 H11 F N3 O S
SMILES:	Nc1scc[n]1CC(=O)Nc2ccc(F)cc2
InChi:	InChI=1S/C11H11FN3OS/c12-8-1-3-9(4-2-8)14-10(16)7-15-5-6-17-11(15)13/h1-6H,7,13H2,(H,14,16)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide

ZV8

ZV8
Name:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
Formula:	C11 H17 N3
SMILES:	CC(C)(C)c1ncc2CNCCc2n1
InChi:	InChI=1S/C11H17N3/c1-11(2,3)10-13-7-8-6-12-5-4-9(8)14-10/h7,12H,4-6H2,1-3H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

ZVE

ZVE
Name:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
Formula:	C10 H14 F3 N3
SMILES:	Cn1cc(nc1C1CNCCC1)C(F)(F)F
InChi:	InChI=1S/C10H14F3N3/c1-16-6-8(10(11,12)13)15-9(16)7-3-2-4-14-5-7/h6-7,14H,2-5H2,1H3/t7-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

ZVK

ZVK
Name:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate
Formula:	C12 H18 N2 S
SMILES:	CNC(/SCC)=N/c1ccc(cc1)CC
InChi:	InChI=1S/C12H18N2S/c1-4-10-6-8-11(9-7-10)14-12(13-3)15-5-2/h6-9H,4-5H2,1-3H3,(H,13,14)
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate

ZVN

ZVN
Name:	2-(piperazin-1-yl)-1,3-benzothiazole
Formula:	C11 H13 N3 S
SMILES:	c1cccc2sc(nc12)N1CCNCC1
InChi:	InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)13-11(15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(piperazin-1-yl)-1,3-benzothiazole

ZW5

ZW5
Name:	1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
Formula:	C12 H17 F N2 O
SMILES:	COc1ccc(cc1F)CN1CCNCC1
InChi:	InChI=1S/C12H17FN2O/c1-16-12-3-2-10(8-11(12)13)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

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