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I8D

I8D
Name:	(4-chlorophenyl)(thiomorpholin-4-yl)methanone
Formula:	C11 H12 Cl N O S
SMILES:	O=C(c1ccc(Cl)cc1)N1CCSCC1
InChi:	InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
Definition date:	2022-01-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(4-chlorophenyl)(thiomorpholin-4-yl)methanone

I8G

I8G
Name:	2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
Formula:	C12 H14 F N O2
SMILES:	O=C(COc1ccc(F)cc1)N1CCCC1
InChi:	InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
Definition date:	2022-01-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

I8J

I8J
Name:	5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
Formula:	C9 H14 F N O2 S
SMILES:	FC=1CN(CCC=1)S(=O)(=O)C1(C)CC1
InChi:	InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3
Definition date:	2022-01-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine

I8M

I8M
Name:	2-[(morpholin-4-yl)methyl]phenol
Formula:	C11 H15 N O2
SMILES:	Oc1ccccc1CN1CCOCC1
InChi:	InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2
Definition date:	2022-01-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-[(morpholin-4-yl)methyl]phenol

5Z9

5Z9
Name:	(2R)-2-methyl-2-oxidanyl-butanenitrile
Formula:	C5 H9 N O
SMILES:	CC[C](C)(O)C#N
InChi:	InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1
Definition date:	2021-09-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{R})-2-methyl-2-oxidanyl-butanenitrile

GYI

GYI
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide
Formula:	C21 H31 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)C(C)C
InChi:	InChI=1S/C21H31N5O5S/c1-4-16-19(20(22)25-21(23)24-16)31-13-7-12-30-17-9-6-5-8-15(17)10-11-18(27)26-32(28,29)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,26,27)(H4,22,23,24,25)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide

H03

H03
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide
Formula:	C20 H30 N6 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)N(C)C
InChi:	InChI=1S/C20H30N6O5S/c1-4-15-18(19(21)24-20(22)23-15)31-13-7-12-30-16-9-6-5-8-14(16)10-11-17(27)25-32(28,29)26(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,25,27)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide

H4U

H4U
Name:	6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
Formula:	C20 H28 N8 O2
SMILES:	CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[NH]2)c1
InChi:	InChI=1S/C20H28N8O2/c1-2-16-18(19(21)24-20(22)23-16)30-12-4-3-11-29-15-9-5-7-14(13-15)8-6-10-17-25-27-28-26-17/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H4,21,22,23,24)(H,25,26,27,28)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine

H6O

H6O
Name:	(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
Formula:	C19 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO
InChi:	InChI=1S/C19H28N4O4/c1-2-15-17(18(20)23-19(21)22-15)27-11-5-10-26-16-7-4-3-6-13(16)8-9-14(25)12-24/h3-4,6-7,14,24-25H,2,5,8-12H2,1H3,(H4,20,21,22,23)/t14-/m0/s1
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol

R8B

R8B
Name:	methyl 3-O-((7-carboxy) quinolin-2-yl)-methyl)-beta-D-galactopyranoside
Formula:	C18 H21 N O8
SMILES:	CO[CH]1O[CH](CO)[CH](O)[CH](OCc2ccc3ccc(cc3n2)C(O)=O)[CH]1O
InChi:	InChI=1S/C18H21NO8/c1-25-18-15(22)16(14(21)13(7-20)27-18)26-8-11-5-4-9-2-3-10(17(23)24)6-12(9)19-11/h2-6,13-16,18,20-22H,7-8H2,1H3,(H,23,24)/t13-,14+,15-,16+,18-/m1/s1
Synonyms:	2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]quinoline-7-carboxylic acid
Definition date:	2020-09-17
Last modified:	2022-02-02
Release date:	2021-07-28
Identifier:	2-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]quinoline-7-carboxylic acid

TAW

TAW
Name:	Futibatinib
Formula:	C22 H22 N6 O3
SMILES:	COc1cc(OC)cc(c1)C#Cc2nn([CH]3CCN(C3)C(=O)C=C)c4ncnc(N)c24
InChi:	InChI=1S/C22H22N6O3/c1-4-19(29)27-8-7-15(12-27)28-22-20(21(23)24-13-25-22)18(26-28)6-5-14-9-16(30-2)11-17(10-14)31-3/h4,9-11,13,15H,1,7-8,12H2,2-3H3,(H2,23,24,25)/t15-/m1/s1
Synonyms:	TAS-120
Definition date:	2020-10-02
Last modified:	2022-02-02
Release date:	2021-12-22
Identifier:	1-[(3~{R})-3-[4-azanyl-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one

YRJ

YRJ
Name:	3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium
Formula:	C18 H22 N4 O10 P
SMILES:	[O-][N+](=O)c1ccc(cc1)NC(=O)NCc1ccc[n+](c1)C1OC(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C18H21N4O10P/c23-15-14(10-31-33(28,29)30)32-17(16(15)24)21-7-1-2-11(9-21)8-19-18(25)20-12-3-5-13(6-4-12)22(26)27/h1-7,9,14-17,23-24H,8,10H2,(H3-,19,20,25,28,29,30)/p+1/t14-,15-,16-,17-/m1/s1
Definition date:	2021-03-26
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium

ZHG

ZHG
Name:	2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol
Formula:	C10 H14 O5
SMILES:	C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O
InChi:	InChI=1S/C10H14O5/c1-4(11)8-6(13)3-7(14)9(5(2)12)10(8)15/h3-5,11-15H,1-2H3/t4-,5-/m1/s1
Definition date:	2021-02-09
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2,4-bis[(1~{R})-1-oxidanylethyl]benzene-1,3,5-triol

WYV

WYV
Name:	myristoyl coenzyme A
Formula:	C35 H62 N7 O17 P3 S
SMILES:	n1c(c2c(nc1)n(cn2)C3C(C(C(COP(OP(OCC(C)(C)C(C(=O)NCCC(NCCSC(CCCCCCCCCCCCC)=O)=O)O)(=O)O)(O)=O)O3)OP(O)(O)=O)O)N
InChi:	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30?,34-/m1/s1
Synonyms:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] tetradecanethioate
Definition date:	2020-11-17
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	S-{(3R,5R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} tetradecanethioate (non-preferred name)

5II

5II
Name:	methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside
Formula:	C8 H16 O5
SMILES:	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C
InChi:	InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1
Definition date:	2021-08-18
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-methyl-oxane-3,4-diol

ULZ

ULZ
Name:	4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
Formula:	C18 H19 Br N4 O
SMILES:	Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)c2c1
InChi:	InChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2
Definition date:	2021-03-02
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

W99

W99
Name:	[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
Formula:	C18 H21 N3 O3 S
SMILES:	C[CH]1C[CH](C)CN(C1)C(=O)c2csc(Nc3ccc4OCOc4c3)n2
InChi:	InChI=1S/C18H21N3O3S/c1-11-5-12(2)8-21(7-11)17(22)14-9-25-18(20-14)19-13-3-4-15-16(6-13)24-10-23-15/h3-4,6,9,11-12H,5,7-8,10H2,1-2H3,(H,19,20)/t11-,12+
Definition date:	2021-01-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-[(3~{R},5~{S})-3,5-dimethylpiperidin-1-yl]methanone

UMT

UMT
Name:	4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
Formula:	C18 H20 N4 O
SMILES:	C1CN(CCO1)c2nccc(CCc3c[nH]c4ccccc34)n2
InChi:	InChI=1S/C18H20N4O/c1-2-4-17-16(3-1)14(13-20-17)5-6-15-7-8-19-18(21-15)22-9-11-23-12-10-22/h1-4,7-8,13,20H,5-6,9-12H2
Definition date:	2021-03-02
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

UMZ

UMZ
Name:	3-(2-pyrimidin-4-ylethyl)-1~{H}-indole
Formula:	C14 H13 N3
SMILES:	C(Cc1c[nH]c2ccccc12)c3ccncn3
InChi:	InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
Definition date:	2021-03-02
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	3-(2-pyrimidin-4-ylethyl)-1~{H}-indole

ZRS

ZRS
Name:	4-(1H-1,2,4-triazol-1-yl)benzoic acid
Formula:	C9 H7 N3 O2
SMILES:	O=C(O)c1ccc(cc1)n1cncn1
InChi:	InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
Definition date:	2021-05-27
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	4-(1H-1,2,4-triazol-1-yl)benzoic acid

NDW

NDW
Name:	alpha-NADPH
Formula:	C21 H30 N7 O17 P3
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20+,21-/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
Definition date:	2022-01-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	[[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate

8MH

8MH
Name:	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[2-(2-hexoxyethoxy)ethyl]propanamide
Formula:	C25 H35 N5 O5
SMILES:	CCCCCCOCCOCCNC(=O)CCN1C(=O)c2cccc3c(NNN)ccc(C1=O)c23
InChi:	InChI=1S/C25H35N5O5/c1-2-3-4-5-14-34-16-17-35-15-12-27-22(31)11-13-30-24(32)19-8-6-7-18-21(28-29-26)10-9-20(23(18)19)25(30)33/h6-10,28-29H,2-5,11-17,26H2,1H3,(H,27,31)
Definition date:	2021-12-21
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	3-[6-(2-azanylhydrazinyl)-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-~{N}-[2-(2-hexoxyethoxy)ethyl]propanamide

RDZ

RDZ
Name:	Geranyl phosphate
Formula:	C10 H19 O4 P
SMILES:	CC(C)=CCCC(C)=CCO[P](O)(O)=O
InChi:	InChI=1S/C10H19O4P/c1-9(2)5-4-6-10(3)7-8-14-15(11,12)13/h5,7H,4,6,8H2,1-3H3,(H2,11,12,13)/b10-7+
Synonyms:	[(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
Definition date:	2020-09-28
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	[(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate

80P

80P
Name:	(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Formula:	C28 H32 F3 N3 O7
SMILES:	NC(=O)C=1C(=O)C2(O)C(O)=C3C(=O)c4c(CC3CC2C(N(CC)CC)C=1O)c(c(cc4O)C1CCCN1)C(F)(F)F
InChi:	InChI=1S/C28H32F3N3O7/c1-3-34(4-2)21-14-9-11-8-13-18(16(35)10-12(15-6-5-7-33-15)20(13)28(29,30)31)22(36)17(11)24(38)27(14,41)25(39)19(23(21)37)26(32)40/h10-11,14-15,21,33,35,37-38,41H,3-9H2,1-2H3,(H2,32,40)/t11-,14-,15-,21-,27-/m0/s1
Synonyms:	TP-6076
Definition date:	2021-08-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(4S,4aS,5aR,12aS)-4-(diethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-8-[(2S)-pyrrolidin-2-yl]-7-(trifluoromethyl)-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

85B

85B
Name:	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid
Formula:	C22 H22 F3 N3 O5
SMILES:	Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O
InChi:	InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30)
Definition date:	2021-11-25
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2-[2,6-dimethyl-4-[[5-oxidanylidene-4-[4-(trifluoromethyloxy)phenyl]-1,2,4-triazol-1-yl]methyl]phenoxy]-2-methyl-propanoic acid

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243911

건을2025-10-29부터공개중

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