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8I6

8I6
Name:	2-nonyl-4,6-bis(oxidanyl)benzoic acid
Formula:	C16 H24 O4
SMILES:	CCCCCCCCCc1cc(O)cc(O)c1C(O)=O
InChi:	InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-9-12-10-13(17)11-14(18)15(12)16(19)20/h10-11,17-18H,2-9H2,1H3,(H,19,20)
Definition date:	2021-12-14
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	2-nonyl-4,6-bis(oxidanyl)benzoic acid

8I9

8I9
Name:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-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] tridecanethioate
Formula:	C34 H60 N7 O17 P3 S
SMILES:	CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C34H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h21-23,27-29,33,44-45H,4-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t23-,27-,28-,29+,33-/m1/s1
Definition date:	2021-12-14
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-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] tridecanethioate

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

8MS

8MS
Name:	(R)-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol
Formula:	C19 H36 N4 O4
SMILES:	CCCCCCOCCOCCOCCN[CH](O)c1ccc(NNN)cc1
InChi:	InChI=1S/C19H36N4O4/c1-2-3-4-5-11-25-13-15-27-16-14-26-12-10-21-19(24)17-6-8-18(9-7-17)22-23-20/h6-9,19,21-24H,2-5,10-16,20H2,1H3/t19-/m1/s1
Definition date:	2021-12-21
Last modified:	2022-01-28
Release date:	2022-02-02
Identifier:	(~{R})-[4-(2-azanylhydrazinyl)phenyl]-[2-[2-(2-hexoxyethoxy)ethoxy]ethylamino]methanol

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

DWZ

DWZ
Name:	(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C17 H27 N3 O5 S
SMILES:	CN(C)C(=O)C1CC(SC2C(C)C(N=C2C(=O)O)C(C=O)C(C)O)CN1
InChi:	InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,15,18,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-,15+/m1/s1
Synonyms:	Meropenem, bound form
Definition date:	2008-07-25
Last modified:	2022-01-27
Identifier:	(2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

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

XUM

XUM
Name:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C33 H47 N2 O13 P S
SMILES:	C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)OCO5)(=O)=O)O
InChi:	InChI=1S/C33H47N2O13PS/c1-5-46-49(38,47-6-2)21-45-24-9-7-23(8-10-24)15-27(34-33(37)48-31-19-42-32-26(31)13-14-41-32)28(36)18-35(17-22(3)4)50(39,40)25-11-12-29-30(16-25)44-20-43-29/h7-12,16,22,26-28,31-32,36H,5-6,13-15,17-21H2,1-4H3,(H,34,37)/t26-,27-,28+,31-,32+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUP

XUP
Name:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C33 H46 N3 O11 P S2
SMILES:	C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)C)S(c4cc5c(cc4)ncs5)(=O)=O)O
InChi:	InChI=1S/C33H46N3O11PS2/c1-5-45-48(39,46-6-2)21-44-24-9-7-23(8-10-24)15-28(35-33(38)47-30-19-43-32-26(30)13-14-42-32)29(37)18-36(17-22(3)4)50(40,41)25-11-12-27-31(16-25)49-20-34-27/h7-12,16,20,22,26,28-30,32,37H,5-6,13-15,17-19,21H2,1-4H3,(H,35,38)/t26-,28-,29+,30-,32+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl](2-methylpropyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUS

XUS
Name:	diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C33 H50 N3 O11 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)N)(=O)=O)O
InChi:	InChI=1S/C33H50N3O11PS/c1-5-23(4)19-36(49(40,41)27-14-10-25(34)11-15-27)20-30(37)29(35-33(38)47-31-21-43-32-28(31)16-17-42-32)18-24-8-12-26(13-9-24)44-22-48(39,45-6-2)46-7-3/h8-15,23,28-32,37H,5-7,16-22,34H2,1-4H3,(H,35,38)/t23-,28-,29-,30+,31-,32+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XUV

XUV
Name:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)OC)(=O)=O)O
InChi:	InChI=1S/C34H51N2O12PS/c1-6-24(4)20-36(50(40,41)28-15-13-26(42-5)14-16-28)21-31(37)30(35-34(38)48-32-22-44-33-29(32)17-18-43-33)19-25-9-11-27(12-10-25)45-23-49(39,46-7-2)47-8-3/h9-16,24,29-33,37H,6-8,17-23H2,1-5H3,(H,35,38)/t24-,29-,30-,31+,32-,33+/m0/s1
Definition date:	2021-01-14
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate

XVJ

XVJ
Name:	diethyl [(4-{(2S,3R)-4-{[(1,3-benzothiazol-6-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C34 H48 N3 O11 P S2
SMILES:	C(Cc1ccc(OCP(OCC)(OCC)=O)cc1)(NC(OC2COC3C2CCO3)=O)C(CN(CC(C)CC)S(c4cc5c(cc4)ncs5)(=O)=O)O
InChi:	InChI=1S/C34H48N3O11PS2/c1-5-23(4)18-37(51(41,42)26-12-13-28-32(17-26)50-21-35-28)19-30(38)29(36-34(39)48-31-20-44-33-27(31)14-15-43-33)16-24-8-10-25(11-9-24)45-22-49(40,46-6-2)47-7-3/h8-13,17,21,23,27,29-31,33,38H,5-7,14-16,18-20,22H2,1-4H3,(H,36,39)/t23-,27-,29-,30+,31-,33+/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][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVM

XVM
Name:	diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Formula:	C34 H49 N2 O13 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4cc5c(cc4)OCO5)(=O)=O)O
InChi:	InChI=1S/C34H49N2O13PS/c1-5-23(4)18-36(51(40,41)26-12-13-30-31(17-26)45-21-44-30)19-29(37)28(35-34(38)49-32-20-43-33-27(32)14-15-42-33)16-24-8-10-25(11-9-24)46-22-50(39,47-6-2)48-7-3/h8-13,17,23,27-29,32-33,37H,5-7,14-16,18-22H2,1-4H3,(H,35,38)/t23-,27-,28-,29+,32-,33+/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][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

XVP

XVP
Name:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)CO)(=O)=O)O
InChi:	InChI=1S/C34H51N2O12PS/c1-5-24(4)19-36(50(41,42)28-14-10-26(21-37)11-15-28)20-31(38)30(35-34(39)48-32-22-44-33-29(32)16-17-43-33)18-25-8-12-27(13-9-25)45-23-49(40,46-6-2)47-7-3/h8-15,24,29-33,37-38H,5-7,16-23H2,1-4H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1
Definition date:	2021-01-15
Last modified:	2022-01-21
Release date:	2022-01-26
Identifier:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({[4-(hydroxymethyl)phenyl]sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate

XVS

XVS
Name:	diethyl [(4-{(2S,3R)-4-{(2-ethylbutyl)[(4-methoxyphenyl)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(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(OC2C3C(OC2)OCC3)=O)(CN(CC(CC)CC)S(c4ccc(cc4)OC)(=O)=O)O
InChi:	InChI=1S/C35H53N2O12PS/c1-6-25(7-2)21-37(51(41,42)29-16-14-27(43-5)15-17-29)22-32(38)31(36-35(39)49-33-23-45-34-30(33)18-19-44-34)20-26-10-12-28(13-11-26)46-24-50(40,47-8-3)48-9-4/h10-17,25,30-34,38H,6-9,18-24H2,1-5H3,(H,36,39)/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-methoxyphenyl)sulfonyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate

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

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

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

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

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

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