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X8Q

X8Q
Name:	[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Formula:	C12 H17 N2 O4 P
SMILES:	CN(C)CCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:	InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)
Definition date:	2023-10-25
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate

XP6

XP6
Name:	Norbaeocystin
Formula:	C10 H13 N2 O4 P
SMILES:	NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:	InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15)
Synonyms:	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate
Definition date:	2023-06-08
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate

WSP

WSP
Name:	Spiroimine (-)-4 S
Formula:	C13 H21 N O2
SMILES:	CC1=NCCC[C]12CCCCC23OCCO3
InChi:	InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m0/s1
Synonyms:	(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
Definition date:	2023-10-11
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(6~{S})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene

ZSF

ZSF
Name:	adenosine 5'-heptaphosphate
Formula:	C10 H20 N5 O25 P7
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C10H20N5O25P7/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(34-10)1-33-42(21,22)36-44(25,26)38-46(29,30)40-47(31,32)39-45(27,28)37-43(23,24)35-41(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	2023-03-28
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	5'-O-[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]adenosine

XPN

XPN
Name:	Baeocystin
Formula:	C11 H15 N2 O4 P
SMILES:	CNCCc1c[nH]c2cccc(O[P](O)(O)=O)c12
InChi:	InChI=1S/C11H15N2O4P/c1-12-6-5-8-7-13-9-3-2-4-10(11(8)9)17-18(14,15)16/h2-4,7,12-13H,5-6H2,1H3,(H2,14,15,16)
Synonyms:	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate
Definition date:	2023-06-08
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[3-[2-(methylamino)ethyl]-1~{H}-indol-4-yl] dihydrogen phosphate

XB5

XB5
Name:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide
Formula:	C29 H36 N6 O2
SMILES:	CCn1ccc(n1)c1cc(cc(c1)c1cn(C)nc1)C(C)NC(=O)c1cc(OCCN(C)C)ccc1C
InChi:	InChI=1S/C29H36N6O2/c1-7-35-11-10-28(32-35)24-15-22(14-23(16-24)25-18-30-34(6)19-25)21(3)31-29(36)27-17-26(9-8-20(27)2)37-13-12-33(4)5/h8-11,14-19,21H,7,12-13H2,1-6H3,(H,31,36)
Definition date:	2023-10-26
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide

ZUJ

ZUJ
Name:	2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
Formula:	C17 H16 N2 O6 S
SMILES:	NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O)Oc2c1
InChi:	InChI=1S/C17H16N2O6S/c18-26(22,23)14-6-3-12(4-7-14)19-16(20)10-24-13-5-1-11-2-8-17(21)25-15(11)9-13/h1,3-7,9H,2,8,10H2,(H,19,20)(H2,18,22,23)
Synonyms:	coumarin benzene sulfonamide SG1-51
Definition date:	2023-04-04
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide

ZUS

ZUS
Name:	2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
Formula:	C18 H16 N2 O6 S
SMILES:	NS(=O)(=O)c1ccc(cc1)CNC(=O)COc1ccc2C=CC(=O)Oc2c1
InChi:	InChI=1S/C18H16N2O6S/c19-27(23,24)15-6-1-12(2-7-15)10-20-17(21)11-25-14-5-3-13-4-8-18(22)26-16(13)9-14/h1-9H,10-11H2,(H,20,21)(H2,19,23,24)
Definition date:	2023-04-04
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

ZV7

ZV7
Name:	2-chloro-N-(3-oxopropyl)acetohydrazide
Formula:	C5 H9 Cl N2 O2
SMILES:	ClCC(=O)N(N)CCC=O
InChi:	InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
Definition date:	2023-04-06
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-chloro-N-(3-oxopropyl)acetohydrazide

XCE

XCE
Name:	~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Formula:	C23 H22 Cl2 N6 O2
SMILES:	Clc1cc([NH]c1Cl)C(=O)NC(CCc1ccccc1)C(=O)NC(C)c1cn2cccnc2n1
InChi:	InChI=1S/C23H22Cl2N6O2/c1-14(19-13-31-11-5-10-26-23(31)30-19)27-21(32)17(9-8-15-6-3-2-4-7-15)29-22(33)18-12-16(24)20(25)28-18/h2-7,10-14,17,28H,8-9H2,1H3,(H,27,32)(H,29,33)/t14-,17-/m0/s1
Definition date:	2023-10-30
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	4,5-dichloro-N-[(2S)-1-({(1S)-1-[(4S)-imidazo[1,2-a]pyrimidin-2-yl]ethyl}amino)-1-oxo-4-phenylbutan-2-yl]-1H-pyrrole-2-carboxamide

WY0

WY0
Name:	(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione
Formula:	C20 H19 N3 O4
SMILES:	CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
InChi:	InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(5~{R})-5-ethyl-3-(6-spiro[2~{H}-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)imidazolidine-2,4-dione

WY9

WY9
Name:	(5R)-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione
Formula:	C18 H19 N3 O4
SMILES:	CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3ccc(C)c(OC)c3)nc2
InChi:	InChI=1S/C18H19N3O4/c1-4-14-17(22)21(18(23)20-14)12-6-8-16(19-10-12)25-13-7-5-11(2)15(9-13)24-3/h5-10,14H,4H2,1-3H3,(H,20,23)/t14-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(5~{R})-5-ethyl-3-[6-(3-methoxy-4-methyl-phenoxy)pyridin-3-yl]imidazolidine-2,4-dione

A1AEQ

A1AEQ
Name:	(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal
Formula:	C16 H17 N O S
SMILES:	C/C(=CC=O)c1ccc(s1)c1ccc(cc1)N(C)C
InChi:	InChI=1S/C16H17NOS/c1-12(10-11-18)15-8-9-16(19-15)13-4-6-14(7-5-13)17(2)3/h4-11H,1-3H3/b12-10+
Definition date:	2024-02-13
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal

A1H2K

A1H2K
Name:	7.10 monoacylglycerol (S-form)
Formula:	C20 H38 O4
SMILES:	CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
InChi:	InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
Synonyms:	[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
Definition date:	2024-01-19
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate

MKX

MKX
Name:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C15 H19 N6 O10 P
SMILES:	C[CH](O)[CH]1NC(=O)N(C1=O)c2ncnc3n(cnc23)[CH]4O[CH](CO[P](O)(O)=O)[CH](O)[CH]4O
InChi:	InChI=1S/C15H19N6O10P/c1-5(22)7-13(25)21(15(26)19-7)12-8-11(16-3-17-12)20(4-18-8)14-10(24)9(23)6(31-14)2-30-32(27,28)29/h3-7,9-10,14,22-24H,2H2,1H3,(H,19,26)(H2,27,28,29)/t5-,6-,7+,9-,10-,14-/m1/s1
Synonyms:	cyclic N6-threonylcarbamoyladenosine 5'-monophosphate
Definition date:	2022-12-26
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(4~{S})-4-[(1~{R})-1-oxidanylethyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

BYW

BYW
Name:	2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
Formula:	C18 H17 F3 N2 O4
SMILES:	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO
InChi:	InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1
Definition date:	2023-04-24
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide

ILR

ILR
Name:	Spiroimine (+)-4 R
Formula:	C13 H21 N O2
SMILES:	CC1=NCCC[C]12CCCCC23OCCO3
InChi:	InChI=1S/C13H21NO2/c1-11-12(6-4-8-14-11)5-2-3-7-13(12)15-9-10-16-13/h2-10H2,1H3/t12-/m1/s1
Synonyms:	(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene
Definition date:	2023-08-01
Last modified:	2024-03-29
Release date:	2024-04-03
Identifier:	(6~{R})-7-methyl-1,4-dioxa-8-azadispiro[4.0.5^{6}.4^{5}]pentadec-7-ene

MA6

MA6
Name:	6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE
Formula:	C12 H18 N5 O7 P
SMILES:	CN(C)c1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C12H18N5O7P/c1-16(2)10-7-11(14-4-13-10)17(5-15-7)12-9(19)8(18)6(24-12)3-23-25(20,21)22/h4-6,8-9,12,18-19H,3H2,1-2H3,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1
Definition date:	1999-07-08
Last modified:	2024-03-27
Identifier:	N,N-dimethyladenosine 5'-(dihydrogen phosphate)

VK0

VK0
Name:	2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole
Formula:	C26 H23 N2 O S
SMILES:	COc1ccc(cc1)c1ccc2c(c1)C(C=CN2C)=Cc1sc2ccccc2[n+]1C
InChi:	InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1
Definition date:	2023-09-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium

XVC

XVC
Name:	6-azido-6-deoxy-alpha-D-glucopyranose
Formula:	C6 H11 N3 O5
SMILES:	OC1C(O)C(CN=[N+]=[N-])OC(O)C1O
InChi:	InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2023-11-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	6-azido-6-deoxy-alpha-D-glucopyranose

XVI

XVI
Name:	2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide
Formula:	C23 H21 F3 N4 O3
SMILES:	COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N
InChi:	InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1
Definition date:	2023-11-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide

WZ9

WZ9
Name:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H13 N3 O
SMILES:	Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

VKI

VKI
Name:	3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Formula:	C45 H55 N6 O7 S2
SMILES:	O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1
InChi:	InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1
Definition date:	2023-09-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium

WZL

WZL
Name:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H11 Br N2 O
SMILES:	Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

XW3

XW3
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C24 H22 Cl F N6 O3
SMILES:	CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5ncccc5F
InChi:	InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20-
Definition date:	2023-11-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

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223532

건을2024-08-07부터공개중

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