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X6Z

X6Z
Name:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Formula:	C7 H15 O9 P
SMILES:	CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2023-10-24
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

WSV

WSV
Name:	2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide
Formula:	C23 H23 N5 O4
SMILES:	COc1cc(Nc2oc(cn2)c3ccccc3CN(C)C(=O)CN)ccc1c4ocnc4
InChi:	InChI=1S/C23H23N5O4/c1-28(22(29)10-24)13-15-5-3-4-6-17(15)21-12-26-23(32-21)27-16-7-8-18(19(9-16)30-2)20-11-25-14-31-20/h3-9,11-12,14H,10,13,24H2,1-2H3,(H,26,27)
Definition date:	2023-10-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide

WT8

WT8
Name:	7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci
Formula:	C13 H23 N3 O7
SMILES:	C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O
InChi:	InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1
Definition date:	2023-10-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	6-(1-acetamido-2-oxidanyl-propyl)-5-(ethanimidoylamino)-2,4-bis(oxidanyl)oxane-2-carboxylic acid

VI4

VI4
Name:	13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
Formula:	C26 H24 N4 O3
SMILES:	C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47
InChi:	InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1
Definition date:	2023-07-22
Last modified:	2024-10-11
Release date:	2024-10-16

WUE

WUE
Name:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid
Formula:	C25 H20 O3
SMILES:	OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
InChi:	InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1
Definition date:	2023-10-13
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid

R60

R60
Name:	7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide
Formula:	C11 H10 F N O2
SMILES:	CN(C)C(=O)c1oc2c(F)cccc2c1
InChi:	InChI=1S/C11H10FNO2/c1-13(2)11(14)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,1-2H3
Definition date:	2023-08-30
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide

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

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

A1BA4

A1BA4
Name:	(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-imidazol-4-yl)propanoic acid (non-preferred name)
Formula:	C16 H21 N8 O8 P
SMILES:	O=C(O)C(Cc1c[NH]cn1)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C16H21N8O8P/c17-13-10-14(21-5-20-13)24(6-22-10)15-12(26)11(25)9(32-15)3-31-33(29,30)23-8(16(27)28)1-7-2-18-4-19-7/h2,4-6,8-9,11-12,15,25-26H,1,3H2,(H,18,19)(H,27,28)(H2,17,20,21)(H2,23,29,30)/t8-,9+,11+,12+,15+/m0/s1
Synonyms:	Histidine-5'-O-adenosine phosphoramidate
Definition date:	2024-09-27
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-imidazol-4-yl)propanoic acid (non-preferred name)

A1BB3

A1BB3
Name:	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one
Formula:	C11 H13 F N2 O
SMILES:	Fc1ccccc1N1CCC(NC)C1=O
InChi:	InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3
Definition date:	2024-10-03
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one

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

A1BBW

A1BBW
Name:	N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]-4-[(quinazolin-4-yl)amino]benzamide
Formula:	C25 H19 N5 O
SMILES:	N#Cc1cccc2c1CCC2NC(=O)c1ccc(cc1)Nc1ncnc2ccccc21
InChi:	InChI=1S/C25H19N5O/c26-14-17-4-3-6-20-19(17)12-13-23(20)30-25(31)16-8-10-18(11-9-16)29-24-21-5-1-2-7-22(21)27-15-28-24/h1-11,15,23H,12-13H2,(H,30,31)(H,27,28,29)/t23-/m1/s1
Definition date:	2024-10-01
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]-4-[(quinazolin-4-yl)amino]benzamide

A1BC0

A1BC0
Name:	N,N-dimethyl-L-cysteinamide
Formula:	C5 H12 N2 O S
SMILES:	CN(C)C(=O)C(N)CS
InChi:	InChI=1S/C5H12N2OS/c1-7(2)5(8)4(6)3-9/h4,9H,3,6H2,1-2H3/t4-/m0/s1
Definition date:	2024-10-08
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N,N-dimethyl-L-cysteinamide

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

A1BCM

A1BCM
Name:	5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine
Formula:	C16 H16 N4 O
SMILES:	Nc1ccc(cn1)Cc1nc(Cc2ccccc2C)no1
InChi:	InChI=1S/C16H16N4O/c1-11-4-2-3-5-13(11)9-15-19-16(21-20-15)8-12-6-7-14(17)18-10-12/h2-7,10H,8-9H2,1H3,(H2,17,18)
Definition date:	2024-10-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine

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

A1A5G

A1A5G
Name:	N-(1,3-benzoxazole-2-carbonyl)-O-[4-(piperidin-4-yl)butyl]-L-tyrosine
Formula:	C26 H31 N3 O5
SMILES:	O=C(O)C(Cc1ccc(OCCCCC2CCNCC2)cc1)NC(=O)c1nc2ccccc2o1
InChi:	InChI=1S/C26H31N3O5/c30-24(25-29-21-6-1-2-7-23(21)34-25)28-22(26(31)32)17-19-8-10-20(11-9-19)33-16-4-3-5-18-12-14-27-15-13-18/h1-2,6-11,18,22,27H,3-5,12-17H2,(H,28,30)(H,31,32)/t22-/m0/s1
Definition date:	2024-09-09
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	N-(1,3-benzoxazole-2-carbonyl)-O-[4-(piperidin-4-yl)butyl]-L-tyrosine

A1H0Q

A1H0Q
Name:	1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine
Formula:	C12 H21 Cl N6 O5
SMILES:	NC(=N)NCc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2OCCCl
InChi:	InChI=1S/C12H21ClN6O5/c13-1-2-23-11-8(10(22)9(21)7(5-20)24-11)19-4-6(17-18-19)3-16-12(14)15/h4,7-11,20-22H,1-3,5H2,(H4,14,15,16)/t7-,8+,9-,10-,11+/m1/s1
Definition date:	2023-12-16
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-[[1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine

A1H7O

A1H7O
Name:	1-[2-[3-[(E)-2-(5-cyclopropyl-1,3-oxazol-2-yl)ethenyl]phenyl]-3-pyridin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
Formula:	C27 H25 N5 O2
SMILES:	CCC(=O)N1Cc2nc(n(c2C1)c3ccncc3)c4cccc(C=Cc5oc(cn5)C6CC6)c4
InChi:	InChI=1S/C27H25N5O2/c1-2-26(33)31-16-22-23(17-31)32(21-10-12-28-13-11-21)27(30-22)20-5-3-4-18(14-20)6-9-25-29-15-24(34-25)19-7-8-19/h3-6,9-15,19H,2,7-8,16-17H2,1H3/b9-6+
Definition date:	2024-04-04
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	1-[2-[3-[(~{E})-2-(5-cyclopropyl-1,3-oxazol-2-yl)ethenyl]phenyl]-3-pyridin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one

A1IDE

A1IDE
Name:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidine
Formula:	C15 H13 N6
SMILES:	Cn1cc(cn1)c2cc[n+]3[nH]cc(c4ccncc4)c3n2
InChi:	InChI=1S/C15H12N6/c1-20-10-12(8-17-20)14-4-7-21-15(19-14)13(9-18-21)11-2-5-16-6-3-11/h2-10H,1H3/p+1
Definition date:	2024-06-05
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-1~{H}-pyrazolo[1,5-a]pyrimidin-8-ium

A1L1H

A1L1H
Name:	[(2~{R})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate
Formula:	C43 H82 N O8 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C43H82NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44(3)4)52-43(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,47,48)/b21-19-,22-20-/t41-/m1/s1
Definition date:	2024-05-03
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{R})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate

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

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

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