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ZXT

ZXT
Name:	5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide
Formula:	C17 H22 N4 O3 S2
SMILES:	CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3
InChi:	InChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
Definition date:	2023-07-10
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide

V5H

V5H
Name:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
Formula:	C45 H85 Br4 O19 P3
SMILES:	OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O
InChi:	InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1
Definition date:	2023-09-08
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate

VE6

VE6
Name:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C16 H10 Br N O4
SMILES:	Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23
InChi:	InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22)
Synonyms:	2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Definition date:	2021-05-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

VEO

VEO
Name:	5-methoxy-1H-indole-2-carboxylic acid
Formula:	C10 H9 N O3
SMILES:	COc1ccc2[nH]c(cc2c1)C(O)=O
InChi:	InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
Definition date:	2023-03-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methoxy-1~{H}-indole-2-carboxylic acid

F3L

F3L
Name:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile
Formula:	C17 H16 Cl F N4 O4 S
SMILES:	NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3
InChi:	InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1
Synonyms:	4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile
Definition date:	2023-06-27
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile

F8O

F8O
Name:	(2~{R},4~{R})-2,4-dimethyloctanal
Formula:	C10 H20 O
SMILES:	CCCC[CH](C)C[CH](C)C=O
InChi:	InChI=1S/C10H20O/c1-4-5-6-9(2)7-10(3)8-11/h8-10H,4-7H2,1-3H3/t9-,10-/m1/s1
Definition date:	2023-07-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2~{R},4~{R})-2,4-dimethyloctanal

F9M

F9M
Name:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Formula:	C25 H23 F3 N8 O S2
SMILES:	Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2
InChi:	InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+
Definition date:	2023-07-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

VPN

VPN
Name:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
Formula:	C45 H83 Br4 O13 P
SMILES:	OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC
InChi:	InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1
Definition date:	2023-09-15
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate

FDO

FDO
Name:	(2~{R})-4-methyl-2-(methylamino)pentanamide
Formula:	C7 H16 N2 O
SMILES:	CN[CH](CC(C)C)C(N)=O
InChi:	InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1
Definition date:	2023-07-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2~{R})-4-methyl-2-(methylamino)pentanamide

FH6

FH6
Name:	(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
Formula:	C8 H14 N2 O2 S
SMILES:	C[CH]1NC(=O)C[CH]1SC[CH](N)C=O
InChi:	InChI=1S/C8H14N2O2S/c1-5-7(2-8(12)10-5)13-4-6(9)3-11/h3,5-7H,2,4,9H2,1H3,(H,10,12)/t5-,6+,7+/m0/s1
Definition date:	2023-07-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal

W4X

W4X
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O5
SMILES:	OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4
InChi:	InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

W52

W52
Name:	2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O4
SMILES:	Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4
InChi:	InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

W5E

W5E
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O6
SMILES:	Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4
InChi:	InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

WCW

WCW
Name:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid
Formula:	C12 H16 N2 O2
SMILES:	NC1(CCN(CC1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid

WD2

WD2
Name:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 F3 N3
SMILES:	FC(F)(F)c1ccnc(c1)N2CCNCC2
InChi:	InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine

WD5

WD5
Name:	4-(4-chlorophenyl)piperidin-4-ol
Formula:	C11 H14 Cl N O
SMILES:	OC1(CCNCC1)c2ccc(Cl)cc2
InChi:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(4-chlorophenyl)piperidin-4-ol

4Q8

4Q8
Name:	5-methyl-1-(phenylmethyl)imidazole
Formula:	C11 H12 N2
SMILES:	Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
Definition date:	2023-01-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methyl-1-(phenylmethyl)imidazole

HWF

HWF
Name:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid
Formula:	C13 H17 N O2
SMILES:	O=C(O)C(Cc1ccccc1)C1CCNC1
InChi:	InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
Synonyms:	LY3353871
Definition date:	2023-07-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid

IJM

IJM
Name:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
Formula:	C14 H8 F3 N5 O4
SMILES:	O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1
InChi:	InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22)
Definition date:	2023-08-01
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid

JEI

JEI
Name:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

JG6

JG6
Name:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid
Formula:	C13 H19 N6 O6 P
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1
Definition date:	2023-08-07
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	{3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid

KFF

KFF
Name:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

LVC

LVC
Name:	4-(2-oxopropyl)benzoic acid
Formula:	C10 H10 O3
SMILES:	O=C(C)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(2-oxopropyl)benzoic acid

LVK

LVK
Name:	4-propanoylbenzoic acid
Formula:	C10 H10 O3
SMILES:	OC(=O)c1ccc(cc1)C(=O)CC
InChi:	InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-propanoylbenzoic acid

YOP

YOP
Name:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one
Formula:	C8 H12 N2 O2
SMILES:	O=C1NC=CC=C1CC(N)CO
InChi:	InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1
Definition date:	2021-03-17
Last modified:	2024-04-30
Release date:	2021-08-25
Identifier:	3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one

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