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9Y4

9Y4
Name:	N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide
Formula:	C16 H18 N2 O
SMILES:	Cc1ccc(cc1)CNC(=O)CNc1ccccc1
InChi:	InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19)
Definition date:	2021-11-01
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide

9Z5

9Z5
Name:	(4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine
Formula:	C25 H21 N3 O2
SMILES:	COc1c(nc2c(Cc3ccccc3)nc(cn21)c1ccccc1)Cc1ccco1
InChi:	InChI=1S/C25H21N3O2/c1-29-25-22(16-20-13-8-14-30-20)27-24-21(15-18-9-4-2-5-10-18)26-23(17-28(24)25)19-11-6-3-7-12-19/h2-14,17H,15-16H2,1H3
Definition date:	2021-11-01
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(4S)-8-benzyl-2-[(furan-2-yl)methyl]-3-methoxy-6-phenylimidazo[1,2-a]pyrazine

CI7

CI7
Name:	3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
Formula:	C19 H17 Br Cl N3 O3 S
SMILES:	CS(=O)(=O)NC(=O)CCc1cn(nc1c1ccc(Cl)cc1)c1ccc(Br)cc1
InChi:	InChI=1S/C19H17BrClN3O3S/c1-28(26,27)23-18(25)11-4-14-12-24(17-9-5-15(20)6-10-17)22-19(14)13-2-7-16(21)8-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,25)
Definition date:	2021-11-22
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide

9A2

9A2
Name:	(6S,9aS)-6-[(2R)-butan-2-yl]-8-[(1S)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C28 H35 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN([CH](C)c3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C28H35F3N4O3/c1-4-18(2)25-26(37)34(19(3)21-12-7-10-20-9-5-6-11-22(20)21)17-23-33(16-13-24(36)35(23)25)27(38)32-15-8-14-28(29,30)31/h5-7,9-12,18-19,23,25H,4,8,13-17H2,1-3H3,(H,32,38)/t18-,19+,23-,25+/m1/s1
Definition date:	2022-01-13
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(6~{S},9~{a}~{S})-6-[(2~{R})-butan-2-yl]-8-[(1~{S})-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

9CI

9CI
Name:	N-[(2S)-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide
Formula:	C25 H34 N2 O2
SMILES:	O[CH](CNCC1CCCCC1)CNC(=O)CC(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C25H34N2O2/c28-23(18-26-17-20-10-4-1-5-11-20)19-27-25(29)16-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24,26,28H,1,4-5,10-11,16-19H2,(H,27,29)/t23-/m0/s1
Synonyms:	N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Definition date:	2021-11-17
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[(2~{S})-3-(cyclohexylmethylamino)-2-oxidanyl-propyl]-3,3-diphenyl-propanamide

9DF

9DF
Name:	(6S,9aS)-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C27 H33 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C27H33F3N4O3/c1-3-18(2)24-25(36)32(16-20-10-6-9-19-8-4-5-11-21(19)20)17-22-33(15-12-23(35)34(22)24)26(37)31-14-7-13-27(28,29)30/h4-6,8-11,18,22,24H,3,7,12-17H2,1-2H3,(H,31,37)/t18-,22+,24-/m0/s1
Definition date:	2022-01-13
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

9I0

9I0
Name:	(2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid
Formula:	C19 H25 N O3
SMILES:	OC(=O)[CH](CC(=O)N1C[CH]2CCCC[CH]2C1)Cc3ccccc3
InChi:	InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1
Synonyms:	Mitiglinide
Definition date:	2022-01-14
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(2~{S})-4-[(3~{a}~{R},7~{a}~{S})-1,3,3~{a},4,5,6,7,7~{a}-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid

D4E

D4E
Name:	(6S,9aS)-6-[(2S)-butan-2-yl]-8-[(1R)-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-N-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C28 H35 F3 N4 O3
SMILES:	CC[CH](C)[CH]1N2[CH](CN([CH](C)c3cccc4ccccc34)C1=O)N(CCC2=O)C(=O)NCCCC(F)(F)F
InChi:	InChI=1S/C28H35F3N4O3/c1-4-18(2)25-26(37)34(19(3)21-12-7-10-20-9-5-6-11-22(20)21)17-23-33(16-13-24(36)35(23)25)27(38)32-15-8-14-28(29,30)31/h5-7,9-12,18-19,23,25H,4,8,13-17H2,1-3H3,(H,32,38)/t18-,19+,23+,25-/m0/s1
Definition date:	2022-04-06
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(6~{S},9~{a}~{S})-6-[(2~{S})-butan-2-yl]-8-[(1~{R})-1-naphthalen-1-ylethyl]-4,7-bis(oxidanylidene)-~{N}-[4,4,4-tris(fluoranyl)butyl]-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

K4C

K4C
Name:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Formula:	C16 H17 N5 O2
SMILES:	CCCc1nc2ncnn2c(c3ccncc3)c1C(=O)OCC
InChi:	InChI=1S/C16H17N5O2/c1-3-5-12-13(15(22)23-4-2)14(11-6-8-17-9-7-11)21-16(20-12)18-10-19-21/h6-10H,3-5H2,1-2H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

K4O

K4O
Name:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:	C13 H12 F N5
SMILES:	Cc1cc(NCc2ccccc2F)n3ncnc3n1
InChi:	InChI=1S/C13H12FN5/c1-9-6-12(19-13(18-9)16-8-17-19)15-7-10-4-2-3-5-11(10)14/h2-6,8,15H,7H2,1H3
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

K4X

K4X
Name:	2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid
Formula:	C16 H16 F3 N3 O3 S
SMILES:	C[CH]1CCc2nc(SCC(=O)NCC(O)=O)c(C#N)c(c2C1)C(F)(F)F
InChi:	InChI=1S/C16H16F3N3O3S/c1-8-2-3-11-9(4-8)14(16(17,18)19)10(5-20)15(22-11)26-7-12(23)21-6-13(24)25/h8H,2-4,6-7H2,1H3,(H,21,23)(H,24,25)/t8-/m0/s1
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid

K5I

K5I
Name:	2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid
Formula:	C19 H11 F3 N2 O2 S2
SMILES:	OC(=O)C(Sc1nc(cc(c1C#N)C(F)(F)F)c2sccc2)c3ccccc3
InChi:	InChI=1S/C19H11F3N2O2S2/c20-19(21,22)13-9-14(15-7-4-8-27-15)24-17(12(13)10-23)28-16(18(25)26)11-5-2-1-3-6-11/h1-9,16H,(H,25,26)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

K5U

K5U
Name:	2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
Formula:	C16 H13 Cl N4 O S
SMILES:	Clc1ccccc1Nc2scc(n2)C(=O)NCc3ccccn3
InChi:	InChI=1S/C16H13ClN4OS/c17-12-6-1-2-7-13(12)20-16-21-14(10-23-16)15(22)19-9-11-5-3-4-8-18-11/h1-8,10H,9H2,(H,19,22)(H,20,21)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide

K69

K69
Name:	1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one
Formula:	C17 H20 N6 O2
SMILES:	CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12
InChi:	InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20)
Definition date:	2022-05-19
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one

1YI

1YI
Name:	N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide
Formula:	C32 H47 N3 O6 S
SMILES:	CS[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2ccc(C)c(Cc3ccc(CCCC(=O)NC(C)(C)C(=O)NCCN(C)C)cc3)c2
InChi:	InChI=1S/C32H47N3O6S/c1-20-10-15-23(29-27(38)26(37)28(39)30(41-29)42-6)19-24(20)18-22-13-11-21(12-14-22)8-7-9-25(36)34-32(2,3)31(40)33-16-17-35(4)5/h10-15,19,26-30,37-39H,7-9,16-18H2,1-6H3,(H,33,40)(H,34,36)/t26-,27-,28+,29+,30-/m1/s1
Synonyms:	LX2761
Definition date:	2022-01-26
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide

LNF

LNF
Name:	diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium
Formula:	C32 H38 N4 O
SMILES:	CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c3[n+](C)c5c(C)cccc25
InChi:	InChI=1S/C32H36N4O/c1-6-36(7-2)20-10-19-33-32(37)24-17-15-23(16-18-24)27-25-13-9-12-22(4)30(25)35(5)31-26-14-8-11-21(3)28(26)34-29(27)31/h8-9,11-18H,6-7,10,19-20H2,1-5H3,(H,33,37)/p+2
Synonyms:	4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium
Definition date:	2022-07-07
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	diethyl-[3-[[4-(4,5,9-trimethyl-10~{H}-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium

I7D

I7D
Name:	(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one
Formula:	C42 H60 O3
SMILES:	COC(C)(C)CCC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC
InChi:	InChI=1S/C42H60O3/c1-34(22-15-24-36(3)25-17-27-38(5)29-19-32-41(7,8)44-11)20-13-14-21-35(2)23-16-26-37(4)28-18-30-39(6)40(43)31-33-42(9,10)45-12/h13-30H,31-33H2,1-12H3/b14-13+,22-15+,23-16+,25-17+,28-18+,29-19+,34-20+,35-21+,36-24+,37-26+,38-27+,39-30+
Synonyms:	R.g.Keto-II
Definition date:	2022-06-10
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26,28-dodecaen-5-one

I7I

I7I
Name:	[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Formula:	C37 H47 N9 O17 P2
SMILES:	CC[CH](N1c2cc(C)c(C)cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C1C(=O)NC(=O)N6)c7ccc(O)c(OC)c7
InChi:	InChI=1S/C37H47N9O17P2/c1-5-19(18-6-7-22(47)25(10-18)59-4)46-21-9-17(3)16(2)8-20(21)44(34-28(46)35(53)43-37(54)42-34)11-23(48)29(50)24(49)12-60-64(55,56)63-65(57,58)61-13-26-30(51)31(52)36(62-26)45-15-41-27-32(38)39-14-40-33(27)45/h6-10,14-15,19,23-24,26,29-31,36,47-52H,5,11-13H2,1-4H3,(H,55,56)(H,57,58)(H2,38,39,40)(H2,42,43,53,54)/t19-,23+,24-,26+,29+,30-,31-,36-/m1/s1
Definition date:	2022-02-17
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(1~{R})-1-(3-methoxy-4-oxidanyl-phenyl)propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

IH7

IH7
Name:	~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide
Formula:	C28 H24 Br Cl2 N7 O4
SMILES:	C[CH](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c4cc(Br)c(C=O)nc24)ncc1C#N)c5c(Cl)cncc5Cl
InChi:	InChI=1S/C28H24BrCl2N7O4/c1-16(26-20(30)12-33-13-21(26)31)42-24-9-25(34-11-17(24)10-32)36-28(40)18-14-38(3-2-37-4-6-41-7-5-37)23-8-19(29)22(15-39)35-27(18)23/h8-9,11-16H,2-7H2,1H3,(H,34,36,40)/t16-/m1/s1
Definition date:	2022-06-30
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[4-[1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-methanoyl-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide

KA9

KA9
Name:	1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one
Formula:	C20 H19 N5 O S
SMILES:	CN1C(=O)N(C)c2cc(Nc3cc(SCc4ccccc4)ncn3)ccc12
InChi:	InChI=1S/C20H19N5OS/c1-24-16-9-8-15(10-17(16)25(2)20(24)26)23-18-11-19(22-13-21-18)27-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22,23)
Definition date:	2022-05-23
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one

KCB

KCB
Name:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:	C20 H21 Cl N4 O3
SMILES:	COc1ccc([CH]2C[CH](Nc3ncnn23)c4ccc(Cl)cc4)c(OC)c1OC
InChi:	InChI=1S/C20H21ClN4O3/c1-26-17-9-8-14(18(27-2)19(17)28-3)16-10-15(12-4-6-13(21)7-5-12)24-20-22-11-23-25(16)20/h4-9,11,15-16H,10H2,1-3H3,(H,22,23,24)/t15-,16+/m0/s1
Definition date:	2022-05-23
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

GY1

GY1
Name:	2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid
Formula:	C42 H53 N O11
SMILES:	COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O)[CH](C3CCCCC3)c4cc(OC)c(OC)c(OC)c4)c5cccc(OCC(O)=O)c5)cc1OC
InChi:	InChI=1S/C42H53NO11/c1-48-34-20-18-27(22-35(34)49-2)17-19-33(29-14-11-15-31(23-29)53-26-38(44)45)54-42(47)32-16-9-10-21-43(32)41(46)39(28-12-7-6-8-13-28)30-24-36(50-3)40(52-5)37(25-30)51-4/h11,14-15,18,20,22-25,28,32-33,39H,6-10,12-13,16-17,19,21,26H2,1-5H3,(H,44,45)/t32-,33+,39-/m0/s1
Definition date:	2022-02-04
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	2-[3-[(1~{R})-1-[(2~{S})-1-[(2~{S})-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidin-2-yl]carbonyloxy-3-(3,4-dimethoxyphenyl)propyl]phenoxy]ethanoic acid

5YG

5YG
Name:	~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline
Formula:	C20 H20 N2 O
SMILES:	COc1ccc(CNc2ccc(Cc3ccncc3)cc2)cc1
InChi:	InChI=1S/C20H20N2O/c1-23-20-8-4-18(5-9-20)15-22-19-6-2-16(3-7-19)14-17-10-12-21-13-11-17/h2-13,22H,14-15H2,1H3
Definition date:	2021-07-15
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	~{N}-[(4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)aniline

M5U

M5U
Name:	dimethyl 2,2'-((12Z,122Z,4S,6Z,8E,10E,15S,17Z,19E,21E)-2,13-dioxo-3,14-dioxa-1(4,2),12(2,4)-dioxazolacyclodocosaphane-6,8,10,17,19,21-hexaene-4,15-diyl)(2S,2'S,3S,3'S,4E,4'E)-bis(3-hydroxyhex-4-enoate)
Formula:	C38 H42 N2 O12
SMILES:	COC(=O)[CH]([CH](O)C=CC)[CH]1CC=CC=CC=Cc2occ(n2)C(=O)O[CH](CC=CC=CC=Cc3occ(n3)C(=O)O1)[CH]([CH](O)C=CC)C(=O)OC
InChi:	InChI=1S/C38H42N2O12/c1-5-17-27(41)33(37(45)47-3)29-19-13-9-7-11-15-22-32-40-26(24-50-32)36(44)52-30(34(38(46)48-4)28(42)18-6-2)20-14-10-8-12-16-21-31-39-25(23-49-31)35(43)51-29/h5-18,21-24,27-30,33-34,41-42H,19-20H2,1-4H3/b11-7+,12-8+,13-9-,14-10-,17-5+,18-6+,21-16+,22-15+/t27-,28-,29-,30-,33-,34-/m0/s1
Synonyms:	methyl (E,2S,3S)-2-[(4S,6Z,8E,10E,18S,20Z,22E,24E)-18-[(E,2S,3S)-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate
Definition date:	2022-07-22
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	methyl (~{E},2~{S},3~{S})-2-[(4~{S},6~{Z},8~{E},10~{E},18~{S},20~{Z},22~{E},24~{E})-18-[(~{E},2~{S},3~{S})-1-methoxy-3-oxidanyl-1-oxidanylidene-hex-4-en-2-yl]-2,16-bis(oxidanylidene)-3,13,17,27-tetraoxa-29,30-diazatricyclo[24.2.1.1^{12,15}]triaconta-1(28),6,8,10,12(30),14,20,22,24,26(29)-decaen-4-yl]-3-oxidanyl-hex-4-enoate

M7L

M7L
Name:	3-azanyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid
Formula:	C11 H16 N3 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(CN=C(CON)C(O)=O)c1O
InChi:	InChI=1S/C11H16N3O8P/c1-6-10(15)8(3-14-9(5-21-12)11(16)17)7(2-13-6)4-22-23(18,19)20/h2,15H,3-5,12H2,1H3,(H,16,17)(H2,18,19,20)/b14-9+
Definition date:	2022-07-26
Last modified:	2022-11-11
Release date:	2022-11-16
Identifier:	(2~{E})-3-azanyloxy-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylimino]propanoic acid

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