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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

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

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

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

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

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

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

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

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)

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

XWH

XWH
Name:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine
Formula:	C9 H6 F3 N3
SMILES:	FC(F)(F)c1cc([NH]n1)c1ccncc1
InChi:	InChI=1S/C9H6F3N3/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6/h1-5H,(H,14,15)
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]pyridine

XWZ

XWZ
Name:	5-bromopyridin-3-amine
Formula:	C5 H5 Br N2
SMILES:	Nc1cncc(Br)c1
InChi:	InChI=1S/C5H5BrN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
Definition date:	2023-11-14
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	5-bromopyridin-3-amine

J3O

J3O
Name:	propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate
Formula:	C20 H21 Cl O4
SMILES:	CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
InChi:	InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
Definition date:	2023-08-07
Last modified:	2024-02-09
Release date:	2024-02-14
Identifier:	propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

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

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

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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