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WFL

WFL
Name:	5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine
Formula:	C14 H23 N6 O6 P
SMILES:	CCCCNP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C14H23N6O6P/c1-2-3-4-19-27(23,24)25-5-8-10(21)11(22)14(26-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1
Definition date:	2023-10-02
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine

A1L3S

A1L3S
Name:	(3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one
Formula:	C29 H29 F3 N4 O3
SMILES:	CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5C[CH](F)C(=O)N5c6ccc(F)c(F)c6
InChi:	InChI=1S/C29H29F3N4O3/c1-15-27(16(2)39-34-15)17-4-11-25-24(12-17)33-28(35(25)18-5-8-20(38-3)9-6-18)26-14-23(32)29(37)36(26)19-7-10-21(30)22(31)13-19/h4,7,10-13,18,20,23,26H,5-6,8-9,14H2,1-3H3/t18-,20-,23-,26-/m0/s1
Definition date:	2024-08-19
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one

A1LY3

A1LY3
Name:	5-(3-phenylmethoxypropyl)-1H-imidazole
Formula:	C13 H16 N2 O
SMILES:	C(COCc1ccccc1)Cc2[nH]cnc2
InChi:	InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
Definition date:	2024-03-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	5-(3-phenylmethoxypropyl)-1~{H}-imidazole

KDU

KDU
Name:	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine
Formula:	C19 H14 Cl2 N6 O
SMILES:	Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1
InChi:	InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26)
Definition date:	2023-08-10
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine

KE3

KE3
Name:	3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine
Formula:	C13 H13 Cl2 N5
SMILES:	Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1
InChi:	InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1
Definition date:	2023-08-10
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine

KEI

KEI
Name:	N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide
Formula:	C24 H35 Cl N2 O2
SMILES:	OCCCNCCCc1cc(c(Cl)cc1)C(=O)NCC12CC3CC(C1)CC(C2)C3
InChi:	InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)/t18-,19+,20-,24-
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide

KF0

KF0
Name:	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide
Formula:	C14 H14 Cl F3 N2 O2
SMILES:	O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C
InChi:	InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide

KFM

KFM
Name:	4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)
Formula:	C37 H31 N3 O9 S3
SMILES:	OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1
InChi:	InChI=1S/C37H31N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)
Definition date:	2023-08-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid)

A1AUQ

A1AUQ
Name:	(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide
Formula:	C23 H29 N7 O4 S2
SMILES:	O=S(=O)(c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)C1CCNCC1
InChi:	InChI=1S/C23H29N7O4S2/c24-36(33,34)22-20(35(31,32)18-9-13-26-14-10-18)6-5-19(21(22)23-27-29-30-28-23)17-3-1-15(2-4-17)16-7-11-25-12-8-16/h1-6,16,18,25-26H,7-14H2,(H2,24,33,34)(H,27,28,29,30)
Definition date:	2024-06-07
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide

A1AUY

A1AUY
Name:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C16 H15 F2 N5
SMILES:	FC1(F)CCC(CC1)c1cnn2ccc(nc12)c1ncccn1
InChi:	InChI=1S/C16H15F2N5/c17-16(18)5-2-11(3-6-16)12-10-21-23-9-4-13(22-15(12)23)14-19-7-1-8-20-14/h1,4,7-11H,2-3,5-6H2
Definition date:	2024-06-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine

A1BBV

A1BBV
Name:	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide
Formula:	C26 H23 N3 O3
SMILES:	N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC
InChi:	InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30)
Definition date:	2024-10-01
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide

A1BCF

A1BCF
Name:	1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide
Formula:	C12 H14 N4 O2 S
SMILES:	CN(Cc1nccs1)C(=O)C=1C=CC(=O)N(CC)N=1
InChi:	InChI=1S/C12H14N4O2S/c1-3-16-11(17)5-4-9(14-16)12(18)15(2)8-10-13-6-7-19-10/h4-7H,3,8H2,1-2H3
Definition date:	2024-10-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide

A1BCQ

A1BCQ
Name:	1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one
Formula:	C15 H12 Br N3 O2
SMILES:	Brc1ccc(cc1)Cc1nc(CN2C=CC=CC2=O)no1
InChi:	InChI=1S/C15H12BrN3O2/c16-12-6-4-11(5-7-12)9-14-17-13(18-21-14)10-19-8-2-1-3-15(19)20/h1-8H,9-10H2
Definition date:	2024-10-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one

A1BCR

A1BCR
Name:	N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide
Formula:	C9 H8 N4 O2 S
SMILES:	O=C(NCC=1C=CC(=O)NN=1)c1cscn1
InChi:	InChI=1S/C9H8N4O2S/c14-8-2-1-6(12-13-8)3-10-9(15)7-4-16-5-11-7/h1-2,4-5H,3H2,(H,10,15)(H,13,14)
Definition date:	2024-10-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-[(6-oxo-1,6-dihydropyridazin-3-yl)methyl]-1,3-thiazole-4-carboxamide

33W

33W
Name:	3-(5-bromothiophen-2-yl)-L-alanine
Formula:	C7 H8 Br N O2 S
SMILES:	Brc1sc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-06-13
Last modified:	2024-10-09
Release date:	2014-11-12
Identifier:	3-(5-bromothiophen-2-yl)-L-alanine

AYE

AYE
Name:	prop-2-en-1-amine
Formula:	C3 H7 N
SMILES:	C=CCN
InChi:	InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
Synonyms:	ALLYLAMINE
Definition date:	2009-02-02
Last modified:	2024-10-08
Identifier:	prop-2-en-1-amine

X49

X49
Name:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one
Formula:	C16 H18 F6 N4 O2 S
SMILES:	FC(F)(F)CCCC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F
InChi:	InChI=1S/C16H18F6N4O2S/c1-28-8-11-24-26-10(13(16(20,21)22)23-14(26)29-11)7-25-6-9(5-12(25)27)3-2-4-15(17,18)19/h9H,2-8H2,1H3/t9-/m0/s1
Definition date:	2023-10-20
Last modified:	2024-10-07
Release date:	2024-05-22
Identifier:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one

7MD

7MD
Name:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
Formula:	C17 H27 N8 O9 P
SMILES:	O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
Definition date:	2011-09-11
Last modified:	2024-10-07
Identifier:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine

WGN

WGN
Name:	(2S,3R)-3-dodecylsulfanyl-2-methyl-butanoic acid
Formula:	C17 H34 O2 S
SMILES:	CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O
InChi:	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16-/m1/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(2~{S},3~{R})-3-dodecylsulfanyl-2-methyl-butanoic acid

WH8

WH8
Name:	(2S,3S)-3-dodecylsulfanyl-2-methyl-butanoic acid
Formula:	C17 H34 O2 S
SMILES:	CCCCCCCCCCCCS[CH](C)[CH](C)C(O)=O
InChi:	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-16(3)15(2)17(18)19/h15-16H,4-14H2,1-3H3,(H,18,19)/t15-,16+/m1/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(2~{S},3~{S})-3-dodecylsulfanyl-2-methyl-butanoic acid

WHT

WHT
Name:	(2~{R})-2-azanyl-3-phosphono-propanoic acid
Formula:	C3 H8 N O5 P
SMILES:	N[CH](C[P](O)(O)=O)C(O)=O
InChi:	InChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(2~{R})-2-azanyl-3-phosphono-propanoic acid

WIW

WIW
Name:	(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Formula:	C26 H24 N2 O7 S
SMILES:	COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4ncccn4)c5cc6OCOc6cc25
InChi:	InChI=1S/C26H24N2O7S/c1-30-19-7-13(8-20(31-2)23(19)32-3)21-14-9-17-18(35-12-34-17)10-15(14)24(16-11-33-25(29)22(16)21)36-26-27-5-4-6-28-26/h4-10,16,21-22,24H,11-12H2,1-3H3/t16-,21+,22-,24+/m0/s1
Definition date:	2023-10-05
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one

W3K

W3K
Name:	N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline
Formula:	C16 H17 N3
SMILES:	CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2
InChi:	InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)
Definition date:	2023-09-16
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline

WIZ

WIZ
Name:	3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid
Formula:	C25 H23 Br N4 O5
SMILES:	C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2
InChi:	InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1
Definition date:	2023-10-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid

A1IAU

A1IAU
Name:	2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid
Formula:	C13 H11 N O4
SMILES:	Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2
InChi:	InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)
Synonyms:	2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
Definition date:	2024-05-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid

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