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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

Y0S

Y0S
Name:	N-[(3-methylthiophen-2-yl)methyl]benzamide
Formula:	C13 H13 N O S
SMILES:	Cc1ccsc1CNC(=O)c1ccccc1
InChi:	InChI=1S/C13H13NOS/c1-10-7-8-16-12(10)9-14-13(15)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,14,15)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(3-methylthiophen-2-yl)methyl]benzamide

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

WN9

WN9
Name:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-3-methyl-butanoate
Formula:	C15 H23 N6 O8 P
SMILES:	CC(C)[CH](N)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C15H23N6O8P/c1-6(2)8(16)15(24)29-30(25,26)27-3-7-10(22)11(23)14(28-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-8,10-11,14,22-23H,3,16H2,1-2H3,(H,25,26)(H2,17,18,19)/t7-,8+,10-,11-,14-/m1/s1
Synonyms:	Valyl adenylate
Definition date:	2023-10-11
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-3-methyl-butanoate

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

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

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

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

YL8

YL8
Name:	5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole
Formula:	C9 H4 F6 N4
SMILES:	FC(F)(F)c1cc(cc(c1)c1n[NH]nn1)C(F)(F)F
InChi:	InChI=1S/C9H4F6N4/c10-8(11,12)5-1-4(7-16-18-19-17-7)2-6(3-5)9(13,14)15/h1-3H,(H,16,17,18,19)
Definition date:	2023-02-09
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-[3,5-bis(trifluoromethyl)phenyl]-2H-tetrazole

UIM

UIM
Name:	N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide
Formula:	C28 H27 N7 O2
SMILES:	CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(Oc2nc(C)ccn2)cc1
InChi:	InChI=1S/C28H27N7O2/c1-16(2)27(36)34-20-9-5-19(6-10-20)24-22(23-25(29)31-15-32-26(23)35(24)4)18-7-11-21(12-8-18)37-28-30-14-13-17(3)33-28/h5-16H,1-4H3,(H,34,36)(H2,29,31,32)
Definition date:	2023-09-05
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide

Y3N

Y3N
Name:	N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide
Formula:	C10 H7 F3 N2 O
SMILES:	O=C(C)Nc1ccc(cc1C(F)(F)F)C#N
InChi:	InChI=1S/C10H7F3N2O/c1-6(16)15-9-3-2-7(5-14)4-8(9)10(11,12)13/h2-4H,1H3,(H,15,16)
Definition date:	2023-11-16
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[4-cyano-2-(trifluoromethyl)phenyl]acetamide

WTV

WTV
Name:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide
Formula:	C34 H44 F N3 O7
SMILES:	Fc1ccc(cc1)CC(NC(=O)OCc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCO1)CC1CCOC1=O
InChi:	InChI=1S/C34H44FN3O7/c1-22(2)17-29(31(39)36-27(20-28-9-6-15-43-28)19-25-14-16-44-33(25)41)37-32(40)30(18-23-10-12-26(35)13-11-23)38-34(42)45-21-24-7-4-3-5-8-24/h3-5,7-8,10-13,22,25,27-30H,6,9,14-21H2,1-2H3,(H,36,39)(H,37,40)(H,38,42)/t25-,27+,28+,29-,30-/m0/s1
Definition date:	2023-10-12
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2R)-1-[(2R)-oxolan-2-yl]-3-[(3R)-2-oxooxolan-3-yl]propan-2-yl}-L-leucinamide

Y9M

Y9M
Name:	N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide
Formula:	C38 H56 F N5 O7
SMILES:	CN(Cc1ccccc1)C(=O)C(CCOC)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(F)CC(C)(C)C)C(C)(C)O)C(C)c1ccccc1
InChi:	InChI=1S/C38H56FN5O7/c1-24(27-18-14-11-15-19-27)30(42-35(48)31(38(6,7)50)43-33(46)28(39)22-37(3,4)5)34(47)40-25(2)32(45)41-29(20-21-51-9)36(49)44(8)23-26-16-12-10-13-17-26/h10-19,24-25,28-31,50H,20-23H2,1-9H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)/t24-,25+,28-,29-,30-,31+/m0/s1
Definition date:	2023-11-28
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-[(2S)-2-fluoro-4,4-dimethylpentanoyl]-3-hydroxy-L-valyl-(betaS)-beta-methyl-L-phenylalanyl-D-alanyl-N-benzyl-N,O-dimethyl-L-homoserinamide

5X6

5X6
Name:	(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R} )-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Formula:	C40 H56 O2
SMILES:	CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C
InChi:	InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
Synonyms:	Zeaxanthin
Definition date:	2015-12-17
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol

XC8

XC8
Name:	4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside
Formula:	C21 H21 F4 N O6
SMILES:	FC(F)(F)c1cccc(OC2OC(CO)C(O)C(O)C2NC(C)=O)c1c1ccc(F)cc1
InChi:	InChI=1S/C21H21F4NO6/c1-10(28)26-17-19(30)18(29)15(9-27)32-20(17)31-14-4-2-3-13(21(23,24)25)16(14)11-5-7-12(22)8-6-11/h2-8,15,17-20,27,29-30H,9H2,1H3,(H,26,28)/t15-,17-,18+,19-,20-/m1/s1
Definition date:	2023-10-30
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4'-fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-2-yl 2-acetamido-2-deoxy-beta-D-galactopyranoside

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

TVJ

TVJ
Name:	[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C10 H13 N4 O7 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NNC(=O)C(N)=O)c1O
InChi:	InChI=1S/C10H13N4O7P/c1-5-8(15)7(3-13-14-10(17)9(11)16)6(2-12-5)4-21-22(18,19)20/h2-3,15H,4H2,1H3,(H2,11,16)(H,14,17)(H2,18,19,20)/b13-3+
Definition date:	2023-05-02
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	[6-methyl-4-[(~{E})-(oxamoylhydrazinylidene)methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

WXQ

WXQ
Name:	N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide
Formula:	C23 H21 N5 O2
SMILES:	C=CC(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)c1ccc(OC)cc1
InChi:	InChI=1S/C23H21N5O2/c1-4-18(29)27-16-9-5-15(6-10-16)21-19(14-7-11-17(30-3)12-8-14)20-22(24)25-13-26-23(20)28(21)2/h4-13H,1H2,2-3H3,(H,27,29)(H2,24,25,26)
Definition date:	2023-05-22
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	N-{4-[4-amino-5-(4-methoxyphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl}prop-2-enamide

WXW

WXW
Name:	(13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide
Formula:	C46 H54 N6 O7
SMILES:	CCOc1cccc2CNc3ccc(C[CH](NC(=O)[CH](Cc4ccccc4)NC(=O)[CH](NC(=O)CC5CCC(CC5)NC(=O)COc12)c6ccccc6)C(=O)NC)cc3
InChi:	InChI=1S/C46H54N6O7/c1-3-58-39-16-10-15-34-28-48-35-21-17-31(18-22-35)26-37(44(55)47-2)50-45(56)38(25-30-11-6-4-7-12-30)51-46(57)42(33-13-8-5-9-14-33)52-40(53)27-32-19-23-36(24-20-32)49-41(54)29-59-43(34)39/h4-18,21-22,32,36-38,42,48H,3,19-20,23-29H2,1-2H3,(H,47,55)(H,49,54)(H,50,56)(H,51,57)(H,52,53)/t32-,36-,37-,38+,42+/m0/s1
Synonyms:	4-O-BETA-METHYL-D-GLUCOPYRANOSYL CELLOBIONOLACTAM OXIME
Definition date:	2023-10-17
Last modified:	2024-02-09
Release date:	2024-02-14

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