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A1H29

A1H29
Name:	(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[2-(1~{H}-1,2,3-triazol-4-yl)ethylsulfanylmethyl]oxolane-3,4-diol
Formula:	C14 H18 N8 O3 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCc4c[nH]nn4)[CH](O)[CH]3O
InChi:	InChI=1S/C14H18N8O3S/c15-12-9-13(17-5-16-12)22(6-18-9)14-11(24)10(23)8(25-14)4-26-2-1-7-3-19-21-20-7/h3,5-6,8,10-11,14,23-24H,1-2,4H2,(H2,15,16,17)(H,19,20,21)
Definition date:	2024-02-01
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2~{R},3~{R},4~{S},5~{S})-2-(6-aminopurin-9-yl)-5-[2-(1~{H}-1,2,3-triazol-4-yl)ethylsulfanylmethyl]oxolane-3,4-diol

A1H3A

A1H3A
Name:	5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-chloranyl-benzoic acid
Formula:	C18 H18 Cl N5 O5 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4ccc(Cl)c(c4)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C18H18ClN5O5S/c19-10-2-1-8(3-9(10)18(27)28)4-30-5-11-13(25)14(26)17(29-11)24-7-23-12-15(20)21-6-22-16(12)24/h1-3,6-7,11,13-14,17,25-26H,4-5H2,(H,27,28)(H2,20,21,22)/t11-,13-,14-,17-/m1/s1
Definition date:	2024-02-01
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-2-chloranyl-benzoic acid

A1H3B

A1H3B
Name:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid
Formula:	C24 H23 N5 O6 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5ccc(O)cc5)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C24H23N5O6S/c25-21-18-22(27-10-26-21)29(11-28-18)23-20(32)19(31)17(35-23)9-36-8-12-5-14(7-15(6-12)24(33)34)13-1-3-16(30)4-2-13/h1-7,10-11,17,19-20,23,30-32H,8-9H2,(H,33,34)(H2,25,26,27)
Definition date:	2024-02-01
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(4-hydroxyphenyl)benzoic acid

A1H3D

A1H3D
Name:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]benzoic acid
Formula:	C18 H19 N5 O5 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cccc(c4)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C18H19N5O5S/c19-15-12-16(21-7-20-15)23(8-22-12)17-14(25)13(24)11(28-17)6-29-5-9-2-1-3-10(4-9)18(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H,26,27)(H2,19,20,21)
Definition date:	2024-02-01
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]benzoic acid

A1H3E

A1H3E
Name:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-oxidanylprop-1-ynyl)benzoic acid
Formula:	C21 H23 N5 O6 S
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(C=CCO)cc(c4)C(O)=O)[CH](O)[CH]3O
InChi:	InChI=1S/C21H23N5O6S/c22-18-15-19(24-9-23-18)26(10-25-15)20-17(29)16(28)14(32-20)8-33-7-12-4-11(2-1-3-27)5-13(6-12)21(30)31/h1-2,4-6,9-10,14,16-17,20,27-29H,3,7-8H2,(H,30,31)(H2,22,23,24)/b2-1+/t14-,16-,17-,20-/m1/s1
Definition date:	2024-02-01
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-[(~{E})-3-oxidanylprop-1-enyl]benzoic acid

XZE

XZE
Name:	(pyridin-2-yl)(quinolin-2-yl)methanone
Formula:	C15 H10 N2 O
SMILES:	O=C(c1ccc2ccccc2n1)c1ccccn1
InChi:	InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(pyridin-2-yl)(quinolin-2-yl)methanone

XZI

XZI
Name:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide
Formula:	C14 H15 N O2
SMILES:	CN(C)C(=O)COc1ccc2ccccc2c1
InChi:	InChI=1S/C14H15NO2/c1-15(2)14(16)10-17-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,10H2,1-2H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N,N-dimethyl-2-[(naphthalen-2-yl)oxy]acetamide

XZO

XZO
Name:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 Cl2 N O2
SMILES:	Clc1cc(Cl)cc(c1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione

XKU

XKU
Name:	1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol
Formula:	C20 H27 F3 N6 O3 S
SMILES:	O=S(=O)(C1CC1)N1CCC(Nc2nc(c3cn(CC(C)(C)O)nc3)c(cn2)C(F)(F)F)CC1
InChi:	InChI=1S/C20H27F3N6O3S/c1-19(2,30)12-28-11-13(9-25-28)17-16(20(21,22)23)10-24-18(27-17)26-14-5-7-29(8-6-14)33(31,32)15-3-4-15/h9-11,14-15,30H,3-8,12H2,1-2H3,(H,24,26,27)
Definition date:	2023-11-03
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol

XZT

XZT
Name:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione
Formula:	C10 H7 F2 N O2
SMILES:	Fc1cc(F)c(cc1)N1C(=O)CCC1=O
InChi:	InChI=1S/C10H7F2NO2/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(13)15/h1-2,5H,3-4H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	1-(2,4-difluorophenyl)pyrrolidine-2,5-dione

Y0C

Y0C
Name:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
Formula:	C9 H8 F N O S
SMILES:	O=C1NC(SC1)c1ccccc1F
InChi:	InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one

Y0H

Y0H
Name:	3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine
Formula:	C10 H10 Cl N3
SMILES:	Cn1nc(cc1N)c1ccc(Cl)cc1
InChi:	InChI=1S/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine

Y0L

Y0L
Name:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide
Formula:	C16 H15 N O2
SMILES:	O=C(NCc1cc2CCOc2cc1)c1ccccc1
InChi:	InChI=1S/C16H15NO2/c18-16(13-4-2-1-3-5-13)17-11-12-6-7-15-14(10-12)8-9-19-15/h1-7,10H,8-9,11H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(2,3-dihydro-1-benzofuran-5-yl)methyl]benzamide

Y0O

Y0O
Name:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid
Formula:	C15 H17 N O2
SMILES:	OC(=O)c1cc(C#CCC2CCCCC2)cnc1
InChi:	InChI=1S/C15H17NO2/c17-15(18)14-9-13(10-16-11-14)8-4-7-12-5-2-1-3-6-12/h9-12H,1-3,5-7H2,(H,17,18)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-(3-cyclohexylprop-1-yn-1-yl)pyridine-3-carboxylic acid

Y0W

Y0W
Name:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole
Formula:	C12 H12 F3 N3
SMILES:	FC(F)(F)c1cc2nc([NH]c2cc1)C1CCNC1
InChi:	InChI=1S/C12H12F3N3/c13-12(14,15)8-1-2-9-10(5-8)18-11(17-9)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2,(H,17,18)/t7-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1H-benzimidazole

Y1C

Y1C
Name:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one
Formula:	C6 H7 Br2 N3 O
SMILES:	O=C(C)CCn1nc(Br)c(Br)n1
InChi:	InChI=1S/C6H7Br2N3O/c1-4(12)2-3-11-9-5(7)6(8)10-11/h2-3H2,1H3
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-(4,5-dibromo-2H-1,2,3-triazol-2-yl)butan-2-one

Y1H

Y1H
Name:	(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol
Formula:	C9 H9 F O3
SMILES:	Fc1cc2COCOc2c(c1)CO
InChi:	InChI=1S/C9H9FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-2,11H,3-5H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(6-fluoro-2H,4H-1,3-benzodioxin-8-yl)methanol

Y1L

Y1L
Name:	(5-chloro-1-benzothiophen-3-yl)methanol
Formula:	C9 H7 Cl O S
SMILES:	Clc1cc2c(cc1)scc2CO
InChi:	InChI=1S/C9H7ClOS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,11H,4H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(5-chloro-1-benzothiophen-3-yl)methanol

Y1R

Y1R
Name:	(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol
Formula:	C5 H8 N2 O
SMILES:	CC(O)c1ccn[NH]1
InChi:	InChI=1S/C5H8N2O/c1-4(8)5-2-3-6-7-5/h2-4,8H,1H3,(H,6,7)/t4-/m0/s1
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(1S)-1-(1H-pyrazol-5-yl)ethan-1-ol

YSQ

YSQ
Name:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)
Formula:	C29 H25 N7 O2
SMILES:	O=C(N/N=C/c1cc[n+](C)c2ccccc21)c1cccc(n1)C(=O)N/N=C/c1cc[n+](C)c2ccccc21
InChi:	InChI=1S/C29H23N7O2/c1-35-16-14-20(22-8-3-5-12-26(22)35)18-30-33-28(37)24-10-7-11-25(32-24)29(38)34-31-19-21-15-17-36(2)27-13-6-4-9-23(21)27/h3-19H,1-2H3/p+2
Definition date:	2023-02-17
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4,4'-{pyridine-2,6-diylbis[carbonyl-(1E)-hydrazin-2-yl-1-ylidene-(E)-methanylylidene]}bis(1-methylquinolin-1-ium)

Y25

Y25
Name:	5-chloropyridin-3-ol
Formula:	C5 H4 Cl N O
SMILES:	Oc1cncc(Cl)c1
InChi:	InChI=1S/C5H4ClNO/c6-4-1-5(8)3-7-2-4/h1-3,8H
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-chloropyridin-3-ol

Y2C

Y2C
Name:	3,5-dichloropyridin-4-amine
Formula:	C5 H4 Cl2 N2
SMILES:	Clc1cncc(Cl)c1N
InChi:	InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	3,5-dichloropyridin-4-amine

ZFW

ZFW
Name:	4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine
Formula:	C25 H34 Cl N5 O7
SMILES:	CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O
InChi:	InChI=1S/C25H34ClN5O7/c1-11(2)37-17-9-14(12(3)8-16(17)29-25-28-10-15(26)22(27)30-25)13-4-6-31(7-5-13)23-20(34)18(32)19(33)21(38-23)24(35)36/h8-11,13,18-21,23,32-34H,4-7H2,1-3H3,(H,35,36)(H3,27,28,29,30)/t18-,19-,20+,21-,23+/m0/s1
Definition date:	2023-03-09
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine

W6O

W6O
Name:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide
Formula:	C22 H24 Cl2 N2 O3 S
SMILES:	Cc1ccc(cc1)[S](=O)(=O)N2C[CH]3CC(C[CH]3C2)C(=O)NCc4ccc(Cl)cc4Cl
InChi:	InChI=1S/C22H24Cl2N2O3S/c1-14-2-6-20(7-3-14)30(28,29)26-12-17-8-16(9-18(17)13-26)22(27)25-11-15-4-5-19(23)10-21(15)24/h2-7,10,16-18H,8-9,11-13H2,1H3,(H,25,27)/t16-,17+,18-
Definition date:	2023-09-26
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide

C0N

C0N
Name:	2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide
Formula:	C25 H25 N8 O5 S
SMILES:	O=C(NCC#C)c1cc(Nc2cc([nH]n2)C3CC3)nc(n1)N4CCN(CC4)C(=O)c5ccc(O[S+](=O)=O)cc5
InChi:	InChI=1S/C25H24N8O5S/c1-2-9-26-23(34)20-15-21(28-22-14-19(30-31-22)16-3-4-16)29-25(27-20)33-12-10-32(11-13-33)24(35)17-5-7-18(8-6-17)38-39(36)37/h1,5-8,14-16H,3-4,9-13H2,(H2-,26,27,28,29,30,31,34)/p+1
Definition date:	2023-05-23
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	2-[4-[4-[bis(oxidanylidene)-$l^{5}-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide

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