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ZOG

ZOG
Name:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
Formula:	C21 H21 F2 N O5 S
SMILES:	O=S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)c1ccc(F)c(F)c1
InChi:	InChI=1S/C21H21F2NO5S/c22-18-6-3-16(13-19(18)23)14-9-11-24(12-10-14)30(28,29)17-4-1-15(2-5-17)20(25)7-8-21(26)27/h1-6,13-14H,7-12H2,(H,26,27)
Definition date:	2021-05-14
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid

ZPV

ZPV
Name:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
Formula:	C20 H21 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC(CC1)c1ccccc1
InChi:	InChI=1S/C20H21FN2O5S/c21-18-12-16(6-7-17(18)20(26)22-13-19(24)25)29(27,28)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine

ZQ1

ZQ1
Name:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
Formula:	C19 H20 Cl N3 O5 S
SMILES:	O=S(=O)(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C19H20ClN3O5S/c20-15-3-1-13(2-4-15)14-7-9-23(10-8-14)29(27,28)16-5-6-17(21-11-16)19(26)22-12-18(24)25/h1-6,11,14H,7-10,12H2,(H,22,26)(H,24,25)
Definition date:	2021-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine

ZQA

ZQA
Name:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
Formula:	C8 H9 N3 S
SMILES:	CCc1csc(n1)c1[NH]cnc1
InChi:	InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole

ZQD

ZQD
Name:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
Formula:	C9 H14 N2 O3 S
SMILES:	CS(=O)(=O)N1CCCC1c1cc(C)on1
InChi:	InChI=1S/C9H14N2O3S/c1-7-6-8(10-14-7)9-4-3-5-11(9)15(2,12)13/h6,9H,3-5H2,1-2H3/t9-/m0/s1
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole

ZQG

ZQG
Name:	3-(1H-imidazol-2-yl)propan-1-amine
Formula:	C6 H11 N3
SMILES:	NCCCc1ncc[NH]1
InChi:	InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3-(1H-imidazol-2-yl)propan-1-amine

ZQJ

ZQJ
Name:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
Formula:	C8 H11 N3 O
SMILES:	O=C1C=C2CNCCC2=NN1C
InChi:	InChI=1S/C8H11N3O/c1-11-8(12)4-6-5-9-3-2-7(6)10-11/h4,9H,2-3,5H2,1H3
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one

ZQM

ZQM
Name:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
Formula:	C10 H14 N2 O S
SMILES:	CC(C)Sc1ccccc1NC(N)=O
InChi:	InChI=1S/C10H14N2OS/c1-7(2)14-9-6-4-3-5-8(9)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
Definition date:	2021-05-19
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea

GEC

GEC
Name:	4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
Formula:	C20 H22 O6
SMILES:	COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4
InChi:	InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
Synonyms:	(+)-pinoresinol
Definition date:	2020-08-22
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(3~{S},3~{a}~{R},6~{S},6~{a}~{R})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol

GEF

GEF
Name:	4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol
Formula:	C20 H22 O6
SMILES:	COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[CH]3c4ccc(O)c(OC)c4
InChi:	InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m1/s1
Synonyms:	(-)-pinoresinol
Definition date:	2020-08-22
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(3~{R},3~{a}~{S},6~{R},6~{a}~{S})-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3~{a},4,6,6~{a}-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol

GFR

GFR
Name:	4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
Formula:	C20 H24 O6
SMILES:	COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O
InChi:	InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1
Synonyms:	(-)-Lariciresinol
Definition date:	2020-08-27
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[[(3~{S},4~{S},5~{R})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol

GFU

GFU
Name:	4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol
Formula:	C20 H24 O6
SMILES:	COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(OC)c3)ccc1O
InChi:	InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
Synonyms:	(+)-Lariciresinol
Definition date:	2020-08-27
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[[(3~{R},4~{R},5~{S})-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol

GNU

GNU
Name:	(2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
Formula:	C20 H26 O6
SMILES:	COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O
InChi:	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1
Synonyms:	(+)-secoisolariciresinol
Definition date:	2020-09-04
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2~{S},3~{S})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol

GO6

GO6
Name:	(2R,3R)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol
Formula:	C20 H26 O6
SMILES:	COc1cc(C[CH](CO)[CH](CO)Cc2ccc(O)c(OC)c2)ccc1O
InChi:	InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
Synonyms:	(-)-secoisolariciresinol
Definition date:	2020-09-04
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2~{R},3~{R})-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol

FVC

FVC
Name:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
Formula:	C22 H21 B N4 O3
SMILES:	CN(C)C(=O)c1cncc(c1)c2cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2
InChi:	InChI=1S/C22H21BN4O3/c1-13-6-14(4-5-20(13)23(29)30)19-12-26-21-18(19)8-16(11-25-21)15-7-17(10-24-9-15)22(28)27(2)3/h4-12,29-30H,1-3H3,(H,25,26)
Definition date:	2020-06-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid

FXR

FXR
Name:	6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
Formula:	C19 H16 N6 O2
SMILES:	CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C12)C(=O)NCc4cccnc4
InChi:	InChI=1S/C19H16N6O2/c1-11-4-3-7-25-17(11)24-16-14(19(25)27)8-13(15(20)23-16)18(26)22-10-12-5-2-6-21-9-12/h2-9H,10H2,1H3,(H2,20,23)(H,22,26)
Definition date:	2020-07-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	6-azanyl-11-methyl-2-oxidanylidene-~{N}-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide

QBZ

QBZ
Name:	(2~{S},3~{S})-3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-3-methyl-2-[(~{E})-3-oxidanylidenepropylideneamino]-4-(1,2,3-triaz ol-1-yl)butanoic acid
Formula:	C10 H13 N4 O6 S
SMILES:	C[C](Cn1ccnn1)([CH](N=CCC(O)=O)C(O)=O)[S-](=O)=O
InChi:	InChI=1S/C10H13N4O6S/c1-10(21(19)20,6-14-5-4-12-13-14)8(9(17)18)11-3-2-7(15)16/h3-5,8H,2,6H2,1H3,(H,15,16)(H,17,18)/q-1/b11-3+/t8-,10-/m0/s1
Synonyms:	Tazobactam imine intermediate
Definition date:	2020-06-04
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2~{S},3~{S})-3-methyl-2-[(~{E})-(3-oxidanyl-3-oxidanylidene-propylidene)amino]-3-sulfinato-4-(1,2,3-triazol-1-yl)butanoic acid

QRE

QRE
Name:	2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid
Formula:	C27 H26 N2 O7 S
SMILES:	OC(=O)CCCCCNC(=S)Nc1ccc([CH]2c3ccc(O)cc3Oc4cc(O)ccc24)c(c1)C(O)=O
InChi:	InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37)
Definition date:	2020-07-29
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-[3,6-bis(oxidanyl)-9~{H}-xanthen-9-yl]-5-[(6-oxidanyl-6-oxidanylidene-hexyl)carbamothioylamino]benzoic acid

QRH

QRH
Name:	(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide
Formula:	C36 H38 N O3 P
SMILES:	O=C(NCCCCCC[PH](c1ccccc1)(c2ccccc2)c3ccccc3)C=CC=Cc4ccc5OCOc5c4
InChi:	InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+
Definition date:	2020-07-29
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(2~{E},4~{E})-5-(1,3-benzodioxol-5-yl)-~{N}-[6-(triphenyl-$l^{5}-phosphanyl)hexyl]penta-2,4-dienamide

Q5Q

Q5Q
Name:	3,6-dibromo-1-(hydroxymethyl)carbazole
Formula:	C13 H9 Br2 N O
SMILES:	Cc1ccc2[nH]c3c(O)cc(Br)c(Br)c3c2c1
InChi:	InChI=1S/C13H9Br2NO/c1-6-2-3-9-7(4-6)11-12(15)8(14)5-10(17)13(11)16-9/h2-5,16-17H,1H3
Synonyms:	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol
Definition date:	2020-05-18
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	3,4-bis(bromanyl)-6-methyl-9~{H}-carbazol-1-ol

EW3

EW3
Name:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C9 H14 F N2 O8 P
SMILES:	O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O
InChi:	InChI=1S/C9H14FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h4,6-8,14H,1-3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:	2020-02-10
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

EWC

EWC
Name:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O9 P
SMILES:	NC1=NC(=O)[C]2(N1)N([CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)NC2=O
InChi:	InChI=1S/C10H14N5O9P/c11-8-12-6(17)10(14-8)7(18)13-9(19)15(10)5-1-3(16)4(24-5)2-23-25(20,21)22/h3-5,16H,1-2H2,(H,13,18,19)(H2,20,21,22)(H3,11,12,14,17)/t3-,4+,5+,10+/m0/s1
Definition date:	2020-02-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-7-azanyl-2,4,9-tris(oxidanylidene)-1,3,6,8-tetrazaspiro[4.4]non-7-en-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

HJ9

HJ9
Name:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid
Formula:	C23 H21 B N4 O5
SMILES:	COc1cc(B(O)O)c(C=O)cc1c2c[nH]c3ncc(cc23)c4cncc(c4)C(=O)N(C)C
InChi:	InChI=1S/C23H21BN4O5/c1-28(2)23(30)15-4-13(8-25-9-15)14-5-18-19(11-27-22(18)26-10-14)17-6-16(12-29)20(24(31)32)7-21(17)33-3/h4-12,31-32H,1-3H3,(H,26,27)
Definition date:	2021-01-13
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methanoyl-5-methoxy-phenyl]boronic acid

8Y9

8Y9
Name:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methy l dihydrogen phosphate
Formula:	C9 H16 N5 O8 P
SMILES:	NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
InChi:	InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6-/m0/s1
Synonyms:	(S)-Gh
Definition date:	2017-11-07
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	[(2~{R},3~{S},5~{R})-5-[(5~{S})-5-carbamimidamido-2,4-bis(oxidanylidene)imidazolidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

TK2

TK2
Name:	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
Formula:	C30 H30 N4 O
SMILES:	Cc1c(COc2ccc3nc(CN)c(NCCc4ccccc4)n3c2)cccc1c5ccccc5
InChi:	InChI=1S/C30H30N4O/c1-22-25(13-8-14-27(22)24-11-6-3-7-12-24)21-35-26-15-16-29-33-28(19-31)30(34(29)20-26)32-18-17-23-9-4-2-5-10-23/h2-16,20,32H,17-19,21,31H2,1H3
Definition date:	2020-12-23
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine

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