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ZF1

ZF1
Name:	7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Formula:	C15 H10 O4
SMILES:	O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)cc3
InChi:	InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
Definition date:	2012-12-18
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

XVV

XVV
Name:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H50 N3 O11 P S2
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O
InChi:	InChI=1S/C35H50N3O11PS2/c1-5-24(6-2)19-38(52(42,43)27-13-14-29-33(18-27)51-22-36-29)20-31(39)30(37-35(40)49-32-21-45-34-28(32)15-16-44-34)17-25-9-11-26(12-10-25)46-23-50(41,47-7-3)48-8-4/h9-14,18,22,24,28,30-32,34,39H,5-8,15-17,19-21,23H2,1-4H3,(H,37,40)/t28-,30-,31+,32-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVY

XVY
Name:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H53 N2 O12 P S
SMILES:	C(C(NC(OC1C2C(OC1)OCC2)=O)Cc3ccc(OCP(OCC)(OCC)=O)cc3)(CN(CC(CC)CC)S(c4ccc(cc4)CO)(=O)=O)O
InChi:	InChI=1S/C35H53N2O12PS/c1-5-25(6-2)20-37(51(42,43)29-15-11-27(22-38)12-16-29)21-32(39)31(36-35(40)49-33-23-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-24-50(41,47-7-3)48-8-4/h9-16,25,30-34,38-39H,5-8,17-24H2,1-4H3,(H,36,40)/t30-,31-,32+,33-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XW4

XW4
Name:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C35 H51 N2 O13 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O
InChi:	InChI=1S/C35H51N2O13PS/c1-5-24(6-2)19-37(52(41,42)27-13-14-31-32(18-27)46-22-45-31)20-30(38)29(36-35(39)50-33-21-44-34-28(33)15-16-43-34)17-25-9-11-26(12-10-25)47-23-51(40,48-7-3)49-8-4/h9-14,18,24,28-30,33-34,38H,5-8,15-17,19-23H2,1-4H3,(H,36,39)/t28-,29-,30+,33-,34+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

YG1

YG1
Name:	N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide
Formula:	C24 H23 N3 O3
SMILES:	CC(=O)Nc1ccc2Cn3nc(cc3COc2c1)c1ccccc1C#CCCCO
InChi:	InChI=1S/C24H23N3O3/c1-17(29)25-20-11-10-19-15-27-21(16-30-24(19)13-20)14-23(26-27)22-9-5-4-8-18(22)7-3-2-6-12-28/h4-5,8-11,13-14,28H,2,6,12,15-16H2,1H3,(H,25,29)
Definition date:	2021-03-01
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	N-{(11S)-2-[2-(5-hydroxypent-1-yn-1-yl)phenyl]-4H,10H-pyrazolo[5,1-c][1,4]benzoxazepin-7-yl}acetamide

81X

81X
Name:	4-(aminomethyl)phthalazin-1(2H)-one
Formula:	C9 H9 N3 O
SMILES:	O=C1NN=C(CN)c2ccccc12
InChi:	InChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13)
Definition date:	2021-09-02
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	4-(aminomethyl)phthalazin-1(2H)-one

84W

84W
Name:	[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium
Formula:	C13 H14 N5 O
SMILES:	Cn1cc(cn1)c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C13H13N5O/c1-18-7-9(6-15-18)8-2-3-10-11(4-8)12(5-14)16-17-13(10)19/h2-4,6-7H,5,14H2,1H3,(H,17,19)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[7-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydrophthalazin-1-yl]methanaminium

85E

85E
Name:	{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium
Formula:	C24 H18 F N6 O
SMILES:	N#Cc1c2ccccc2cc(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	{7-[(5M)-5-(1-cyano-3-fluoronaphthalen-2-yl)-1-methyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydrophthalazin-1-yl}methanaminium

85K

85K
Name:	(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium
Formula:	C23 H19 Cl F N6 O2
SMILES:	N#Cc1c(OC2CC2)cc(Cl)c(F)c1c1n(C)ncc1c1ccc2C(=O)NN=C(C[NH3+])c2c1
InChi:	InChI=1S/C23H18ClFN6O2/c1-31-22(20-15(8-26)19(33-12-3-4-12)7-17(24)21(20)25)16(10-28-31)11-2-5-13-14(6-11)18(9-27)29-30-23(13)32/h2,5-7,10,12H,3-4,9,27H2,1H3,(H,30,32)/p+1
Definition date:	2021-09-04
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(7-{(5M)-5-[3-chloro-6-cyano-5-(cyclopropyloxy)-2-fluorophenyl]-1-methyl-1H-pyrazol-4-yl}-4-oxo-3,4-dihydrophthalazin-1-yl)methanaminium

7OO

7OO
Name:	[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:	C37 H44 N3 O4 P
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1cc(cc(c1)c2ccccc2)c3ccccc3)C[P](O)(=O)[CH](N)CCc4ccccc4)C(N)=O
InChi:	InChI=1S/C37H44N3O4P/c1-26(2)20-34(36(39)41)40-37(42)33(25-45(43,44)35(38)19-18-27-12-6-3-7-13-27)23-28-21-31(29-14-8-4-9-15-29)24-32(22-28)30-16-10-5-11-17-30/h3-17,21-22,24,26,33-35H,18-20,23,25,38H2,1-2H3,(H2,39,41)(H,40,42)(H,43,44)/t33-,34+,35-/m1/s1
Definition date:	2021-08-12
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[(2~{S})-3-[[(2~{S})-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid

62S

62S
Name:	[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:	C31 H35 N4 O6 P
SMILES:	N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2onc(c2)c3ccccc3O)C(=O)N[CH](Cc4ccccc4)C(N)=O
InChi:	InChI=1S/C31H35N4O6P/c32-29(16-15-21-9-3-1-4-10-21)42(39,40)20-23(18-24-19-26(35-41-24)25-13-7-8-14-28(25)36)31(38)34-27(30(33)37)17-22-11-5-2-6-12-22/h1-14,19,23,27,29,36H,15-18,20,32H2,(H2,33,37)(H,34,38)(H,39,40)/t23-,27+,29-/m1/s1
Definition date:	2021-07-23
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	[(2~{S})-3-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-[[3-(2-hydroxyphenyl)-1,2-oxazol-5-yl]methyl]-3-oxidanylidene-propyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid

674

674
Name:	6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Formula:	C15 H10 O5
SMILES:	O=C1c3c(OC=C1c2ccc(O)cc2)cc(O)c(O)c3
InChi:	InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
Definition date:	2007-08-28
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	6,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one

91Q

91Q
Name:	3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol
Formula:	C12 H16 N2 O
SMILES:	CN(C)CCc1c[nH]c2cccc(O)c12
InChi:	InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10/h3-5,8,13,15H,6-7H2,1-2H3
Definition date:	2021-12-31
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol

93F

93F
Name:	(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene
Formula:	C24 H31 N3 O
SMILES:	COc1ccccc1CCCN2CC[CH]3[CH](C2)c4cccc5N(C)CCN3c45
InChi:	InChI=1S/C24H31N3O/c1-25-15-16-27-21-12-14-26(13-6-8-18-7-3-4-11-23(18)28-2)17-20(21)19-9-5-10-22(25)24(19)27/h3-5,7,9-11,20-21H,6,8,12-17H2,1-2H3/t20-,21-/m0/s1
Definition date:	2022-01-01
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(10~{R},15~{S})-12-[3-(2-methoxyphenyl)propyl]-4-methyl-1,4,12-triazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca-5(16),6,8-triene

97L

97L
Name:	(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile
Formula:	C22 H16 N6 O S
SMILES:	O=C1NN=C(CN)c2cc(ccc12)c1cnn(C)c1c1sc2ccccc2c1C#N
InChi:	InChI=1S/C22H16N6OS/c1-28-20(21-16(9-23)13-4-2-3-5-19(13)30-21)17(11-25-28)12-6-7-14-15(8-12)18(10-24)26-27-22(14)29/h2-8,11H,10,24H2,1H3,(H,27,29)
Definition date:	2021-10-05
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(2M)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}-1-benzothiophene-3-carbonitrile

97X

97X
Name:	(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile
Formula:	C24 H18 N6 O
SMILES:	N#Cc1c2ccccc2ccc1c1n(C)ncc1c1ccc2C(=O)NN=C(CN)c2c1
InChi:	InChI=1S/C24H18N6O/c1-30-23(17-8-6-14-4-2-3-5-16(14)20(17)11-25)21(13-27-30)15-7-9-18-19(10-15)22(12-26)28-29-24(18)31/h2-10,13H,12,26H2,1H3,(H,29,31)
Definition date:	2021-10-05
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	(2P)-2-{4-[4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl]-1-methyl-1H-pyrazol-5-yl}naphthalene-1-carbonitrile

EY3

EY3
Name:	5-propan-2-yloxy-1H-indole
Formula:	C11 H13 N O
SMILES:	CC(C)Oc1ccc2[nH]ccc2c1
InChi:	InChI=1S/C11H13NO/c1-8(2)13-10-3-4-11-9(7-10)5-6-12-11/h3-8,12H,1-2H3
Definition date:	2020-02-18
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	5-propan-2-yloxy-1~{H}-indole

HJO

HJO
Name:	N-[(1R,2R,3R,4S,5S)-4-[(2R,3R,6S)-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2R,3R,4R)-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide
Formula:	C21 H41 N5 O8
SMILES:	CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH](O[CH]3O[CH](CN)CC[CH]3N)[CH](N)C[CH]2NC(C)=O
InChi:	InChI=1S/C21H41N5O8/c1-9(27)26-13-6-12(24)16(33-19-11(23)5-4-10(7-22)32-19)14(28)17(13)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11+,12-,13+,14+,15+,16-,17+,18+,19+,20+,21-/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S})-4-[(2~{R},3~{R},6~{S})-6-(aminomethyl)-3-azanyl-oxan-2-yl]oxy-5-azanyl-2-[(2~{R},3~{R},4~{R})-5-methyl-4-(methylamino)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]ethanamide

HOU

HOU
Name:	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
Formula:	C24 H24 N4 O2
SMILES:	Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn2)c4ccccc4
InChi:	InChI=1S/C24H24N4O2/c1-17-21(19-8-3-2-4-9-19)11-6-12-22(17)23-27-28-24(30-23)26-20-10-5-7-18(15-20)16-25-13-14-29/h2-12,15,25,29H,13-14,16H2,1H3,(H,26,28)
Definition date:	2021-01-26
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol

HQ0

HQ0
Name:	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
Formula:	C9 H12 N2 O2
SMILES:	Cc1cnc(n1CCC=C)C(O)=O
InChi:	InChI=1S/C9H12N2O2/c1-3-4-5-11-7(2)6-10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:	2021-01-26
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid

HQ3

HQ3
Name:	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
Formula:	C12 H12 N2 O2
SMILES:	Cc1cnc(n1Cc2ccccc2)C(O)=O
InChi:	InChI=1S/C12H12N2O2/c1-9-7-13-11(12(15)16)14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid

HQF

HQF
Name:	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
Formula:	C12 H10 N4 O2 S
SMILES:	Nc1sc2cc(Cn3ccnc3C(O)=O)ccc2n1
InChi:	InChI=1S/C12H10N4O2S/c13-12-15-8-2-1-7(5-9(8)19-12)6-16-4-3-14-10(16)11(17)18/h1-5H,6H2,(H2,13,15)(H,17,18)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid

HQR

HQR
Name:	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
Formula:	C9 H12 N2 O2
SMILES:	Cc1cn(CCC=C)c(n1)C(O)=O
InChi:	InChI=1S/C9H12N2O2/c1-3-4-5-11-6-7(2)10-8(11)9(12)13/h3,6H,1,4-5H2,2H3,(H,12,13)
Definition date:	2021-01-27
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid

HR0

HR0
Name:	5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
Formula:	C11 H7 N5 O
SMILES:	Cc1nn2c3ncccc3c(O)nc2c1C#N
InChi:	InChI=1S/C11H7N5O/c1-6-8(5-12)10-14-11(17)7-3-2-4-13-9(7)16(10)15-6/h2-4H,1H3,(H,14,17)
Definition date:	2021-01-28
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	4-methyl-8-oxidanyl-2,3,7,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaene-5-carbonitrile

UJW

UJW
Name:	5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide
Formula:	C13 H15 N3 S
SMILES:	NCCc1sc(cc1c2ccccc2)C(N)=N
InChi:	InChI=1S/C13H15N3S/c14-7-6-11-10(8-12(17-11)13(15)16)9-4-2-1-3-5-9/h1-5,8H,6-7,14H2,(H3,15,16)
Synonyms:	5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide
Definition date:	2021-02-25
Last modified:	2022-01-20
Release date:	2022-01-12
Identifier:	5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide

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數據於2024-09-11公開中

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