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PEH

PEH
Name:	DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
Formula:	C41 H82 N O8 P
SMILES:	O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
Definition date:	2002-07-11
Last modified:	2021-07-08
Identifier:	(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propane-1,2-diyl dioctadecanoate

ON2

ON2
Name:	N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
Formula:	C16 H15 Cl2 N5 O2 S
SMILES:	Cc1[nH]c(C(=O)Nc2sc3cc(NC(=O)CCN)ccc3n2)c(Cl)c1Cl
InChi:	InChI=1S/C16H15Cl2N5O2S/c1-7-12(17)13(18)14(20-7)15(25)23-16-22-9-3-2-8(6-10(9)26-16)21-11(24)4-5-19/h2-3,6,20H,4-5,19H2,1H3,(H,21,24)(H,22,23,25)
Definition date:	2020-03-20
Last modified:	2021-07-07
Release date:	2020-12-30
Identifier:	~{N}-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrole-2-carboxamide

USZ

USZ
Name:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
Formula:	C28 H32 F N3 O2
SMILES:	CCC(=O)N([CH](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C)(C)C
InChi:	InChI=1S/C28H32FN3O2/c1-5-25(33)32(24-13-11-22(12-14-24)28(2,3)4)26(21-9-7-16-30-19-21)27(34)31-17-15-20-8-6-10-23(29)18-20/h6-14,16,18-19,26H,5,15,17H2,1-4H3,(H,31,34)/t26-/m1/s1
Definition date:	2021-03-16
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide

WPD

WPD
Name:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	c1(c(CC)nc(N)nc1N)OCCCOc2cccc(CC(C(F)F)C(=O)O)c2
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m1/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2S)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

WPJ

WPJ
Name:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
Formula:	C19 H24 F2 N4 O4
SMILES:	CCc1nc(N)nc(c1OCCCOc2cccc(CC(C(F)F)C(O)=O)c2)N
InChi:	InChI=1S/C19H24F2N4O4/c1-2-14-15(17(22)25-19(23)24-14)29-8-4-7-28-12-6-3-5-11(9-12)10-13(16(20)21)18(26)27/h3,5-6,9,13,16H,2,4,7-8,10H2,1H3,(H,26,27)(H4,22,23,24,25)/t13-/m0/s1
Definition date:	2020-11-03
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(2R)-2-[(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid

XTJ

XTJ
Name:	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate
Formula:	C21 H28 F N3 O5
SMILES:	C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2cccc(c2)F)=O)CCN3
InChi:	InChI=1S/C21H28FN3O5/c22-16-3-1-2-14(8-16)12-30-21(29)25-18(9-13-4-5-13)20(28)24-17(11-26)10-15-6-7-23-19(15)27/h1-3,8,13,15,17-18,26H,4-7,9-12H2,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-/m0/s1
Definition date:	2021-01-12
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

XTP

XTP
Name:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Formula:	C21 H29 N3 O5
SMILES:	C3(=O)C(CC(CO)NC(C(CC1CC1)NC(=O)OCc2ccccc2)=O)CCN3
InChi:	InChI=1S/C21H29N3O5/c25-12-17(11-16-8-9-22-19(16)26)23-20(27)18(10-14-6-7-14)24-21(28)29-13-15-4-2-1-3-5-15/h1-5,14,16-18,25H,6-13H2,(H,22,26)(H,23,27)(H,24,28)/t16-,17-,18-/m0/s1
Definition date:	2021-01-13
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate

XU4

XU4
Name:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide
Formula:	C22 H33 N3 O5
SMILES:	C2(C(CC(CO)NC(C(CC(C)C)NC(OC(C)c1ccccc1)=O)=O)CCN2)=O
InChi:	InChI=1S/C22H33N3O5/c1-14(2)11-19(25-22(29)30-15(3)16-7-5-4-6-8-16)21(28)24-18(13-26)12-17-9-10-23-20(17)27/h4-8,14-15,17-19,26H,9-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,29)/t15-,17-,18-,19-/m0/s1
Definition date:	2021-01-13
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide

XV4

XV4
Name:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
Formula:	C23 H32 N4 O5
SMILES:	C3(C(CC(NC(C(CC(C)C)NC(c1nc2c(c1)c(OC)ccc2)=O)=O)CO)CCN3)=O
InChi:	InChI=1S/C23H32N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,26,28H,7-10,12H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1
Definition date:	2021-01-14
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

BKX

BKX
Name:	(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
Formula:	C36 H50 Cl N3 O10 S2
SMILES:	c42cc(c(Cl)c(N(C)C(CC(C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(=O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)OC
InChi:	InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28-,32-,35-,36+/m1/s1
Definition date:	2019-02-20
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	(1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)

G2X

G2X
Name:	6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-N-[(2S)-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H18 Cl F5 N6 O
SMILES:	CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N[CH](C)C(F)(F)F
InChi:	InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1
Definition date:	2020-07-21
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	6-[2,6-bis(fluoranyl)-4-[3-(methylamino)propoxy]phenyl]-5-chloranyl-~{N}-[(2~{S})-1,1,1-tris(fluoranyl)propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

T5N

T5N
Name:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Br N O2 S
SMILES:	CC(C)(Oc1ccc(Br)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16BrNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5Q

T5Q
Name:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H15 F2 N O2 S
SMILES:	CC(C)(Oc1cc(F)cc(F)c1)C(=O)NCCS
InChi:	InChI=1S/C12H15F2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5T

T5T
Name:	2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 F N O2 S
SMILES:	CC(C)(Oc1ccc(F)cc1)C(=O)NCCS
InChi:	InChI=1S/C12H16FNO2S/c1-12(2,11(15)14-7-8-17)16-10-5-3-9(13)4-6-10/h3-6,17H,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5W

T5W
Name:	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H15 Cl2 N O2 S
SMILES:	CC(C)(Oc1cc(Cl)cc(Cl)c1)C(=O)NCCS
InChi:	InChI=1S/C12H15Cl2NO2S/c1-12(2,11(16)15-3-4-18)17-10-6-8(13)5-9(14)7-10/h5-7,18H,3-4H2,1-2H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T5Z

T5Z
Name:	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C13 H18 Br N O3 S
SMILES:	COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br
InChi:	InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide

T6H

T6H
Name:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H17 N O2 S
SMILES:	CC(C)(Oc1ccccc1)C(=O)NCCS
InChi:	InChI=1S/C12H17NO2S/c1-12(2,11(14)13-8-9-16)15-10-6-4-3-5-7-10/h3-7,16H,8-9H2,1-2H3,(H,13,14)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide

T6N

T6N
Name:	2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide
Formula:	C13 H19 N O2 S
SMILES:	Cc1ccc(OC(C)(C)C(=O)NCCS)cc1
InChi:	InChI=1S/C13H19NO2S/c1-10-4-6-11(7-5-10)16-13(2,3)12(15)14-8-9-17/h4-7,17H,8-9H2,1-3H3,(H,14,15)
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide

T6W

T6W
Name:	2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide
Formula:	C12 H16 Cl N2 O4 S
SMILES:	CC(C)(Oc1ccc(cc1Cl)[N+](O)=O)C(=O)NCCS
InChi:	InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7H,5-6H2,1-2H3,(H2-,14,16,17,18,20)/p+1
Definition date:	2020-12-15
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	[3-chloranyl-4-[2-methyl-1-oxidanylidene-1-(2-sulfanylethylamino)propan-2-yl]oxy-phenyl]-oxidanyl-oxidanylidene-azanium

TVT

TVT
Name:	2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile
Formula:	C14 H16 F3 N7
SMILES:	CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
InChi:	InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
Synonyms:	2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
Definition date:	2021-01-14
Last modified:	2021-07-02
Release date:	2021-07-07
Identifier:	2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile

HZ0

HZ0
Name:	(10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate
Formula:	C36 H50 Cl N3 O10 S2
SMILES:	CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4
InChi:	InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22-,26+,27-,28+,32+,35?,36+/m1/s1
Definition date:	2021-02-25
Last modified:	2021-07-02
Release date:	2021-07-07

YP4

YP4
Name:	N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine
Formula:	C22 H22 F3 N
SMILES:	FC(F)(F)c1cccc(CCCNC(C)c2cccc3ccccc32)c1
InChi:	InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
Definition date:	2021-03-18
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(1R)-1-(naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine

WV1

WV1
Name:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:	C12 H16 N2 O
SMILES:	c2c(NC(=O)C1CC1)ccc(c2)C(C)N
InChi:	InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1
Definition date:	2020-11-17
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide

WZP

WZP
Name:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one
Formula:	C11 H22 N2 O
SMILES:	C1CN(C(C(C)C)=O)CCN1C(C)C
InChi:	InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3
Definition date:	2020-11-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one

T3K

T3K
Name:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
Formula:	C21 H30 N2 O5
SMILES:	COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3
InChi:	InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+
Definition date:	2020-12-14
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one

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