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X0K

X0K
Name:	[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite
Formula:	C28 H23 O5 P
SMILES:	O[CH](COCc1ccc(cc1)C#Cc2ccc3ccc4cccc5ccc2c3c45)COP(O)O
InChi:	InChI=1S/C28H23O5P/c29-25(18-33-34(30)31)17-32-16-20-6-4-19(5-7-20)8-9-21-10-11-24-13-12-22-2-1-3-23-14-15-26(21)28(24)27(22)23/h1-7,10-15,25,29-31H,16-18H2/t25-/m0/s1
Definition date:	2023-05-26
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	[(2~{S})-2-oxidanyl-3-[[4-(2-pyren-1-ylethynyl)phenyl]methoxy]propyl] dihydrogen phosphite

X59

X59
Name:	4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid
Formula:	C21 H21 N3 O4
SMILES:	COc1ccc(OC(C)C)cc1Nc2cncc(n2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C21H21N3O4/c1-13(2)28-16-8-9-19(27-3)17(10-16)23-20-12-22-11-18(24-20)14-4-6-15(7-5-14)21(25)26/h4-13H,1-3H3,(H,23,24)(H,25,26)
Definition date:	2023-10-23
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid

X5E

X5E
Name:	4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid
Formula:	C22 H19 N3 O3
SMILES:	CC(C)Oc1ccc2ccn(c3cncc(n3)c4ccc(cc4)C(O)=O)c2c1
InChi:	InChI=1S/C22H19N3O3/c1-14(2)28-18-8-7-16-9-10-25(20(16)11-18)21-13-23-12-19(24-21)15-3-5-17(6-4-15)22(26)27/h3-14H,1-2H3,(H,26,27)
Definition date:	2023-10-23
Last modified:	2024-01-12
Release date:	2024-01-17
Identifier:	4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid

8H2

8H2
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21-/m0/s1
Definition date:	2023-03-28
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

7S8

7S8
Name:	[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid
Formula:	C10 H14 N5 O5 P Se
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)[SeH])O3
InChi:	InChI=1S/C10H14N5O5PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18)22/h3-6,16,18,22H,1-2H2,(H3,11,13,14,17)/t4-,5+,6+,21+/m0/s1
Definition date:	2023-03-09
Last modified:	2024-01-11
Release date:	2024-01-10
Identifier:	[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphinous acid

5F0

5F0
Name:	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid
Formula:	C5 H9 N O4
SMILES:	COC(=O)[CH](N)CC(O)=O
InChi:	InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1
Synonyms:	1-methyl isoaspartic acid
Definition date:	2021-07-09
Last modified:	2024-01-10
Release date:	2022-06-15
Identifier:	(3~{S})-3-azanyl-4-methoxy-4-oxidanylidene-butanoic acid

YHU

YHU
Name:	~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide
Formula:	C7 H11 N3 O
SMILES:	CC(C)NC(=O)c1c[nH]cn1
InChi:	InChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-4-9-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
Definition date:	2023-06-19
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-propan-2-yl-1~{H}-imidazole-4-carboxamide

YIF

YIF
Name:	4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol
Formula:	C17 H21 N O3
SMILES:	OC(c1ccc(O)cc1)C(C)NCCc1ccc(O)cc1
InChi:	InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
Definition date:	2023-06-19
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol

YZV

YZV
Name:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol
Formula:	C21 H29 F2 N5 O2
SMILES:	FC(F)(c1ccccc1)C(O)/C=C/C1CCC(O)N1CCCCCCc1nnn[NH]1
InChi:	InChI=1S/C21H29F2N5O2/c22-21(23,16-8-4-3-5-9-16)18(29)13-11-17-12-14-20(30)28(17)15-7-2-1-6-10-19-24-26-27-25-19/h3-5,8-9,11,13,17-18,20,29-30H,1-2,6-7,10,12,14-15H2,(H,24,25,26,27)/b13-11+/t17-,18-,20-/m0/s1
Definition date:	2023-03-06
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2S,5R)-5-[(1E,3S)-4,4-difluoro-3-hydroxy-4-phenylbut-1-en-1-yl]-1-[6-(1H-tetrazol-5-yl)hexyl]pyrrolidin-2-ol

Z2C

Z2C
Name:	4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid
Formula:	C23 H36 O6 S
SMILES:	OC1CC(O)C(CCC(O)Cc2cccc(COC)c2)C1CCSCCCC(=O)O
InChi:	InChI=1S/C23H36O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,12,18-22,24-26H,3,6-11,13-15H2,1H3,(H,27,28)/t18-,19+,20+,21+,22-/m0/s1
Definition date:	2023-03-06
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-({2-[(1R,2R,3R,5S)-3,5-dihydroxy-2-{(3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]butyl}cyclopentyl]ethyl}sulfanyl)butanoic acid

YQI

YQI
Name:	(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
Formula:	C8 H11 N3 O3
SMILES:	CC[CH](NC(=O)c1cc[nH]n1)C(O)=O
InChi:	InChI=1S/C8H11N3O3/c1-2-5(8(13)14)10-7(12)6-3-4-9-11-6/h3-5H,2H2,1H3,(H,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
Definition date:	2023-06-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid

8EB

8EB
Name:	[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate
Formula:	C10 H15 N5 O9 P2 Se
SMILES:	NC1=NC(=O)c2ncn([CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(O)=O)O3)c2N1
InChi:	InChI=1S/C10H15N5O9P2Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(23-6)2-22-26(21,27)24-25(18,19)20/h3-6,16H,1-2H2,(H,21,27)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,26+/m0/s1
Definition date:	2023-03-28
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] dihydrogen phosphate

QS0

QS0
Name:	N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Formula:	C24 H27 N7 O
SMILES:	COc1cc(ccc1Nc2nccc(n2)c3cn(C)c4cnccc34)N5CCN(C)CC5
InChi:	InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
Synonyms:	N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
Definition date:	2022-11-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-(1-methylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine

R6U

R6U
Name:	(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium
Formula:	C5 H11 N2 O3 Ru
SMILES:	Cn1cc[n+](C)c1[Ru](O)(O)O
InChi:	InChI=1S/C5H8N2.3H2O.Ru/c1-6-3-4-7(2)5-6
Definition date:	2023-01-04
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(1,3-dimethylimidazol-1-ium-2-yl)-tris(oxidanyl)ruthenium

R7O

R7O
Name:	Gossypin
Formula:	C21 H20 O13
SMILES:	OC[CH]1O[CH](Oc2c(O)cc(O)c3C(=O)C(=C(Oc23)c4ccc(O)c(O)c4)O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1
Synonyms:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one
Definition date:	2022-11-17
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5,7-tris(oxidanyl)chromen-4-one

7Q6

7Q6
Name:	[[(2R,3S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H16 N5 O12 P3 Se
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]([SeH])(=O)O[P](O)(=O)O[P](O)(O)=O)O3
InChi:	InChI=1S/C10H16N5O12P3Se/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(25-6)2-24-30(23,31)27-29(21,22)26-28(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,31)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+,30+/m0/s1
Definition date:	2023-03-08
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-selanyl-phosphoryl] phosphono hydrogen phosphate

SJ0

SJ0
Name:	N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
Formula:	C23 H24 N6 O2
SMILES:	CN1CCC(C1)COc1cnc(C#N)cc1c1ccn2nc(cc2c1)NC(=O)C1CC1
InChi:	InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1
Definition date:	2023-08-25
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

978

978
Name:	~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide
Formula:	C19 H15 N3 O5
SMILES:	Cc1cccc(c1)C(=O)Nc2ccc(NC(=O)c3oc(cc3)[N](=O)=O)cc2
InChi:	InChI=1S/C19H15N3O5/c1-12-3-2-4-13(11-12)18(23)20-14-5-7-15(8-6-14)21-19(24)16-9-10-17(27-16)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
Definition date:	2023-07-14
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	~{N}-[4-[(3-methylphenyl)carbonylamino]phenyl]-5-nitro-furan-2-carboxamide

TO9

TO9
Name:	(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid
Formula:	C9 H10 O5
SMILES:	O[CH](Cc1ccc(O)c(O)c1)C(O)=O
InChi:	InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1
Synonyms:	Danshensu
Definition date:	2023-04-28
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	(2~{R})-3-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-propanoic acid

T0L

T0L
Name:	4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid
Formula:	C16 H9 Cl N2 O2
SMILES:	OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)c(c3)C#N
InChi:	InChI=1S/C16H9ClN2O2/c17-14-2-1-9(5-11(14)8-18)13-6-10(16(20)21)7-15-12(13)3-4-19-15/h1-7,19H,(H,20,21)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid

T0X

T0X
Name:	4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Formula:	C17 H11 Cl N2 O2
SMILES:	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)c(c3)C#N
InChi:	InChI=1S/C17H11ClN2O2/c1-9-13(17(21)22)7-14(12-4-5-20-16(9)12)10-2-3-15(18)11(6-10)8-19/h2-7,20H,1H3,(H,21,22)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

T1L

T1L
Name:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C24 H20 Cl N3 O4 S
SMILES:	Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)c(Oc5ccccn5)c4
InChi:	InChI=1S/C24H20ClN3O4S/c1-14-18(24(29)28-33(30,31)16-6-7-16)13-19(17-9-11-27-23(14)17)15-5-8-20(25)21(12-15)32-22-4-2-3-10-26-22/h2-5,8-13,16,27H,6-7H2,1H3,(H,28,29)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chloranyl-3-pyridin-2-yloxy-phenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

T2F

T2F
Name:	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid
Formula:	C16 H12 Cl N O2
SMILES:	Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3
InChi:	InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid

T2O

T2O
Name:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C19 H17 Cl N2 O3 S
SMILES:	Cc1c2[nH]ccc2c(cc1C(=O)N[S](=O)(=O)C3CC3)c4ccc(Cl)cc4
InChi:	InChI=1S/C19H17ClN2O3S/c1-11-16(19(23)22-26(24,25)14-6-7-14)10-17(15-8-9-21-18(11)15)12-2-4-13(20)5-3-12/h2-5,8-10,14,21H,6-7H2,1H3,(H,22,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-cyclopropylsulfonyl-7-methyl-1~{H}-indole-6-carboxamide

T3I

T3I
Name:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide
Formula:	C18 H18 Cl N3 O3 S
SMILES:	CN(C)[S](=O)(=O)NC(=O)c1cc(c2ccc(Cl)cc2)c3cc[nH]c3c1C
InChi:	InChI=1S/C18H18ClN3O3S/c1-11-15(18(23)21-26(24,25)22(2)3)10-16(14-8-9-20-17(11)14)12-4-6-13(19)7-5-12/h4-10,20H,1-3H3,(H,21,23)
Definition date:	2022-12-20
Last modified:	2024-01-05
Release date:	2024-01-10
Identifier:	4-(4-chlorophenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide

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