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S2F

S2F
Name:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
Formula:	C22 H28 F2 O5
SMILES:	O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
Synonyms:	Tafluprost acid
Definition date:	2023-04-08
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid

SWC

SWC
Name:	N-{(2R)-2-hydroxy-3,3-dimethyl-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]butanoyl}-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide
Formula:	C20 H33 F N3 O10 P S
SMILES:	OS(F)(O)c1ccc(CCNC(=O)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)cc1
InChi:	InChI=1S/C20H33FN3O10PS/c1-20(2,13-34-35(29,30)31)18(27)19(28)24-12-9-17(26)23-11-8-16(25)22-10-7-14-3-5-15(6-4-14)36(21,32)33/h3-6,18,27,32-33H,7-13H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H2,29,30,31)/t18-/m0/s1
Definition date:	2022-07-12
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-N-(2-{4-[fluoro(dihydroxy)-lambda~4~-sulfanyl]phenyl}ethyl)-beta-alaninamide

ZRR

ZRR
Name:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
Formula:	C22 H28 N10 O
SMILES:	CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1
InChi:	InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
Definition date:	2023-03-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol

OG6

OG6
Name:	6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C5 H6 N2 O4
SMILES:	OC(O)C1=CC(=O)NC(=O)N1
InChi:	InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,4,9-10H,(H2,6,7,8,11)
Synonyms:	6-Formyl-uracil hydrate
Definition date:	2023-02-01
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	6-[bis(oxidanyl)methyl]-1~{H}-pyrimidine-2,4-dione

Z9I

Z9I
Name:	1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine
Formula:	C6 H14 N2 O2 S
SMILES:	NCC1CCCN1S(=O)(C)=O
InChi:	InChI=1S/C6H14N2O2S/c1-11(9,10)8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3/t6-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine

XPW

XPW
Name:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile
Formula:	C25 H28 N6 O3
SMILES:	CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O
InChi:	InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Synonyms:	GSK2798745
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile

XQ3

XQ3
Name:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Formula:	C28 H32 Cl2 N4 O6 S2
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1
InChi:	InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
Synonyms:	GSK1016790A
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

ZA9

ZA9
Name:	4-[(3S)-piperidin-3-yl]-1H-indole
Formula:	C13 H16 N2
SMILES:	c1c[NH]c2cccc(c12)C1CCCNC1
InChi:	InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-[(3S)-piperidin-3-yl]-1H-indole

XQU

XQU
Name:	nitrosochloramphenicol
Formula:	C11 H14 Cl2 N2 O4
SMILES:	ONc1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl
InChi:	InChI=1S/C11H14Cl2N2O4/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(15-19)4-2-6/h1-4,8-10,15-17,19H,5H2,(H,14,18)/t8-,9-/m1/s1
Synonyms:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,2-dichloro-N-{(1R,2R)-1,3-dihydroxy-1-[4-(hydroxyamino)phenyl]propan-2-yl}acetamide

PQI

PQI
Name:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
Formula:	C23 H25 Cl N4 O2
SMILES:	CCC(=O)N1CCN2Cc3ccc(c(Cl)c3OC[CH]2C1)c4c(C)ccc5n[nH]cc45
InChi:	InChI=1S/C23H25ClN4O2/c1-3-20(29)28-9-8-27-11-15-5-6-17(22(24)23(15)30-13-16(27)12-28)21-14(2)4-7-19-18(21)10-25-26-19/h4-7,10,16H,3,8-9,11-13H2,1-2H3,(H,25,26)/t16-/m0/s1
Definition date:	2022-10-04
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(4~{a}~{S})-7-chloranyl-8-(5-methyl-2~{H}-indazol-4-yl)-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one

ZBH

ZBH
Name:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:	C10 H14 N2 O S
SMILES:	CNC(=O)C1CCCc2sc(C)nc21
InChi:	InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

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:	2023-07-07
Release date:	2023-07-12
Identifier:	1,3-dimethylimidazolidine

OJF

OJF
Name:	[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Formula:	C73 H131 N7 O12 S
SMILES:	CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(=O)N[CH](CO)C(=O)N[CH](CO)C(=O)N[CH](CCCCNC(=O)c1ccccc1N)C(N)=O
InChi:	InChI=1S/C73H131N7O12S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-50-66(83)77-65(73(90)80-64(55-82)72(89)79-63(54-81)71(88)78-62(69(75)86)49-45-46-53-76-70(87)60-47-43-44-48-61(60)74)58-93-57-59(92-68(85)52-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-91-67(84)51-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h43-44,47-48,59,62-65,81-82H,4-42,45-46,49-58,74H2,1-3H3,(H2,75,86)(H,76,87)(H,77,83)(H,78,88)(H,79,89)(H,80,90)/t59-,62-,63-,64-,65+/m1/s1
Definition date:	2022-09-09
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{R})-3-[(2~{R})-3-[[(2~{R})-1-[[(2~{R})-1-[[(2~{R})-6-[(2-aminophenyl)carbonylamino]-1-azanyl-1-oxidanylidene-hexan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate

ZE9

ZE9
Name:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
Formula:	C14 H16 N2 O3
SMILES:	CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1
InChi:	InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one

ZEK

ZEK
Name:	3-acetamido-N-methylbenzamide
Formula:	C10 H12 N2 O2
SMILES:	O=C(C)Nc1cc(ccc1)C(=O)NC
InChi:	InChI=1S/C10H12N2O2/c1-7(13)12-9-5-3-4-8(6-9)10(14)11-2/h3-6H,1-2H3,(H,11,14)(H,12,13)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-acetamido-N-methylbenzamide

ZFI

ZFI
Name:	N-[2-(methanesulfonyl)phenyl]acetamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(C)(=O)c1ccccc1NC(C)=O
InChi:	InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[2-(methanesulfonyl)phenyl]acetamide

ZG0

ZG0
Name:	N-(3-methylphenyl)acetamide
Formula:	C9 H11 N O
SMILES:	O=C(C)Nc1cc(C)ccc1
InChi:	InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-(3-methylphenyl)acetamide

OU9

OU9
Name:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
Formula:	C23 H46 N O7 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)O[CH](CO)CO[P](O)(=O)OCCN
InChi:	InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m0/s1
Definition date:	2022-09-21
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	[(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate

7WT

7WT
Name:	Z-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(3R)-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid
Formula:	C23 H34 O5
SMILES:	O[CH](CC[CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O)CCc2ccccc2
InChi:	InChI=1S/C23H34O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,18-22,24-26H,2,7,10-16H2,(H,27,28)/b6-1-/t18-,19+,20+,21-,22+/m0/s1
Synonyms:	7-[3,5-Dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid
Definition date:	2023-03-13
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-3,5-bis(oxidanyl)-2-[(3~{R})-3-oxidanyl-5-phenyl-pentyl]cyclopentyl]hept-5-enoic acid

JN0

JN0
Name:	3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Glycyrrhisoflavone
Definition date:	2022-08-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

JU3

JU3
Name:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Licoisoflavone A
Definition date:	2022-08-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

TW6

TW6
Name:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
Formula:	C27 H28 N2 O3
SMILES:	CNCCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:	InChI=1S/C27H28N2O3/c1-28-15-16-32-23-10-7-19(8-11-23)25-24-12-9-22(30)17-21(24)18-27(13-14-27)29(25)26(31)20-5-3-2-4-6-20/h2-12,17,25,28,30H,13-16,18H2,1H3/t25-/m1/s1
Definition date:	2022-07-28
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[(1'R)-6'-hydroxy-1'-{4-[2-(methylamino)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

K3C

K3C
Name:	2-phenylcyclohexa-2,5-diene-1,4-dione
Formula:	C12 H8 O2
SMILES:	O=C1C=CC(=O)C(=C1)c2ccccc2
InChi:	InChI=1S/C12H8O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8H
Definition date:	2022-09-06
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	2-phenylcyclohexa-2,5-diene-1,4-dione

YDB

YDB
Name:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid
Formula:	C9 H12 B N7 O5 S2
SMILES:	O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O
InChi:	InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1
Definition date:	2023-01-25
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid

NE0

NE0
Name:	[[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C9 H16 N2 O18 P4
SMILES:	O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H16N2O18P4/c12-5-1-2-11(9(14)10-5)8-7(27-30(15,16)17)6(13)4(26-8)3-25-32(21,22)29-33(23,24)28-31(18,19)20/h1-2,4,6-8,13H,3H2,(H,21,22)(H,23,24)(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2023-01-12
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

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223532

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