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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

IRR

IRR
Name:	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide
Formula:	C21 H35 N3 O5
SMILES:	CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C=O
InChi:	InChI=1S/C21H35N3O5/c1-4-5-14-9-16(14)12-29-21(28)24-18(8-13(2)3)20(27)23-17(11-25)10-15-6-7-22-19(15)26/h11,13-18H,4-10,12H2,1-3H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15+,16+,17+,18+/m1/s1
Definition date:	2022-01-27
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide

IRW

IRW
Name:	(1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C25 H37 N3 O9 S
SMILES:	COc1ccc(cc1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C25H37N3O9S/c1-14(2)10-20(23(30)27-21(24(31)38(33,34)35)12-16-8-9-26-22(16)29)28-25(32)37-13-17-11-19(17)15-4-6-18(36-3)7-5-15/h4-7,14,16-17,19-21,24,31H,8-13H2,1-3H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t16-,17-,19-,20-,21-,24-/m0/s1
Definition date:	2022-01-27
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

IT3

IT3
Name:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Formula:	C21 H37 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14+,15+,16+,17+,20+/m1/s1
Definition date:	2022-01-27
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

ITG

ITG
Name:	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
Formula:	C21 H37 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OCC1CC1CCC)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C21H37N3O8S/c1-4-5-13-9-15(13)11-32-21(28)24-16(8-12(2)3)19(26)23-17(20(27)33(29,30)31)10-14-6-7-22-18(14)25/h12-17,20,27H,4-11H2,1-3H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t13-,14+,15+,16+,17+,20-/m1/s1
Definition date:	2022-01-27
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid

ITX

ITX
Name:	(1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
Formula:	C25 H37 N3 O9 S
SMILES:	COc1ccc(cc1)C1CC1COC(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C25H37N3O9S/c1-14(2)10-20(23(30)27-21(24(31)38(33,34)35)12-16-8-9-26-22(16)29)28-25(32)37-13-17-11-19(17)15-4-6-18(36-3)7-5-15/h4-7,14,16-17,19-21,24,31H,8-13H2,1-3H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t16-,17-,19-,20-,21-,24+/m0/s1
Definition date:	2022-01-27
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

GQO

GQO
Name:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide
Formula:	C19 H29 N5 O4 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)N(C)C
InChi:	InChI=1S/C19H29N5O4S/c1-4-15-17(18(20)23-19(21)22-15)28-12-7-11-27-16-9-6-5-8-14(16)10-13-29(25,26)24(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide

GUU

GUU
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
Formula:	C19 H27 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O
InChi:	InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
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-(methanesulfonyl)propanamide

GWL

GWL
Name:	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
Formula:	C18 H25 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O
InChi:	InChI=1S/C18H25N5O3/c1-2-13-16(17(20)23-18(21)22-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(19)24/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,24)(H4,20,21,22,23)
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)propanamide

GXC

GXC
Name:	N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
Formula:	C19 H27 N5 O5 S
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)NC(C)=O
InChi:	InChI=1S/C19H27N5O5S/c1-3-15-17(18(20)23-19(21)22-15)29-11-6-10-28-16-8-5-4-7-14(16)9-12-30(26,27)24-13(2)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide

GXJ

GXJ
Name:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
Formula:	C19 H26 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O
InChi:	InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m1/s1
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid

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

H0I

H0I
Name:	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
Formula:	C20 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc1
InChi:	InChI=1S/C20H28N4O4/c1-2-16-18(19(21)24-20(22)23-16)28-12-4-3-11-27-15-9-5-7-14(13-15)8-6-10-17(25)26/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H,25,26)(H4,21,22,23,24)
Definition date:	2022-01-03
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid

GHU

GHU
Name:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
Formula:	C20 H28 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC
InChi:	InChI=1S/C20H28N4O4/c1-3-15-18(19(21)24-20(22)23-15)28-13-7-12-27-16-9-6-5-8-14(16)10-11-17(25)26-4-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H4,21,22,23,24)
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate

GI6

GI6
Name:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
Formula:	C19 H27 N5 O3
SMILES:	CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(N)=O
InChi:	InChI=1S/C19H27N5O3/c1-3-14-16(17(20)24-19(22)23-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(21)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H2,21,25)(H4,20,22,23,24)/t12-/m1/s1
Definition date:	2021-12-21
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide

81O

81O
Name:	5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid
Formula:	C27 H26 F4 N2 O4
SMILES:	CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(C)ncc(C(O)=O)c3C
InChi:	InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36)
Definition date:	2021-11-12
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid

820

820
Name:	(2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
Formula:	C23 H26 F3 N O4
SMILES:	CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1
Definition date:	2021-11-15
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{S})-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid

82K

82K
Name:	(2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
Formula:	C26 H32 F3 N O4
SMILES:	CCCCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F
InChi:	InChI=1S/C26H32F3NO4/c1-3-5-6-7-14-34-23-13-8-18(15-19(4-2)25(32)33)16-21(23)17-30-24(31)20-9-11-22(12-10-20)26(27,28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1
Definition date:	2021-11-15
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	(2~{S})-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid

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

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

H9I

H9I
Name:	3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid
Formula:	C20 H26 N4 O5
SMILES:	O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1
InChi:	InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(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]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid

B7L

B7L
Name:	2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
Formula:	C17 H12 N4 O4
SMILES:	O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12
InChi:	InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24)
Definition date:	2021-11-12
Last modified:	2022-02-04
Release date:	2022-02-09
Identifier:	2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid

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數據於2024-09-04公開中

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