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JU3

JU3
Name:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
Formula:	C20 H18 O6
SMILES:	CC(C)=CCc1c(O)ccc(c1O)C2=COc3cc(O)cc(O)c3C2=O
InChi:	InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
Synonyms:	Licoisoflavone A
Definition date:	2022-08-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	3-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one

USU

USU
Name:	(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
Formula:	C27 H27 F N4 O3
SMILES:	Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C)C(=O)N(CC21)Cc1cccc2ccccc21
InChi:	InChI=1S/C27H27FN4O3/c1-18-26(34)30(16-21-7-4-6-20-5-2-3-8-23(20)21)17-24-31(14-13-25(33)32(18)24)27(35)29-15-19-9-11-22(28)12-10-19/h2-12,18,24H,13-17H2,1H3,(H,29,35)/t18-,24+/m0/s1
Definition date:	2022-08-24
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

UTC

UTC
Name:	(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
Formula:	C33 H32 N4 O4
SMILES:	Oc1ccc(cc1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2ccccc21
InChi:	InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m0/s1
Definition date:	2022-08-25
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	(5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

Y56

Y56
Name:	4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide
Formula:	C34 H36 N8 O2
SMILES:	CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)N1CCC(C1)Nc1nccc(n1)c1c2ccccn2nc1c1ccccc1
InChi:	InChI=1S/C34H36N8O2/c1-40(2)20-8-12-30(43)36-26-15-13-25(14-16-26)33(44)41-22-18-27(23-41)37-34-35-19-17-28(38-34)31-29-11-6-7-21-42(29)39-32(31)24-9-4-3-5-10-24/h3-7,9-11,13-17,19,21,27H,8,12,18,20,22-23H2,1-2H3,(H,36,43)(H,35,37,38)/t27-/m0/s1
Definition date:	2021-10-12
Last modified:	2023-06-23
Release date:	2023-06-28
Identifier:	4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide

VSR

VSR
Name:	[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(E)-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Formula:	C48 H62 N2 O12
SMILES:	CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCCCc4ccc(cc4)N=Nc5ccccc5)C
InChi:	InChI=1S/C48H62N2O12/c1-8-10-11-12-18-24-38(53)59-42-40-39(31(4)41(42)60-44(54)30(3)9-2)43-48(57,47(7,56)45(55)61-43)36(29-46(40,6)62-32(5)51)58-37(52)23-19-13-15-20-33-25-27-35(28-26-33)50-49-34-21-16-14-17-22-34/h9,14,16-17,21-22,25-28,36,40-43,56-57H,8,10-13,15,18-20,23-24,29H2,1-7H3/b30-9-,50-49+/t36-,40+,41-,42-,43-,46-,47+,48+/m0/s1
Synonyms:	photoswitch-thapsigargin derivative AzTG-6
Definition date:	2023-03-31
Last modified:	2023-06-16
Release date:	2023-06-21
Identifier:	[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[6-[4-[(~{E})-phenyldiazenyl]phenyl]hexanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

WAU

WAU
Name:	7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C17 H14 N10
SMILES:	N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12
InChi:	InChI=1S/C17H14N10/c18-7-11-8-22-27-16(24-12-1-2-12)6-14(25-17(11)27)23-13-3-4-19-15(5-13)26-9-20-21-10-26/h3-6,8-10,12,24H,1-2H2,(H,19,23,25)
Definition date:	2023-05-10
Last modified:	2023-06-16
Release date:	2023-06-21
Identifier:	7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

VUK

VUK
Name:	[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3,3a-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(E)-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
Formula:	C46 H58 N2 O12
SMILES:	CCCCCCCC(=O)O[CH]1[CH](OC(=O)C(C)=CC)C(=C2[CH]3OC(=O)[C](C)(O)[C]3(O)[CH](C[C](C)(OC(C)=O)[CH]12)OC(=O)CCCc4ccc(cc4)N=Nc5ccccc5)C
InChi:	InChI=1S/C46H58N2O12/c1-8-10-11-12-16-21-36(51)57-40-38-37(29(4)39(40)58-42(52)28(3)9-2)41-46(55,45(7,54)43(53)59-41)34(27-44(38,6)60-30(5)49)56-35(50)22-17-18-31-23-25-33(26-24-31)48-47-32-19-14-13-15-20-32/h9,13-15,19-20,23-26,34,38-41,54-55H,8,10-12,16-18,21-22,27H2,1-7H3/b28-9-,48-47+/t34-,38+,39-,40-,41-,44-,45+,46+/m0/s1
Synonyms:	photoswitch-thapsigargin derivative AzTG-4
Definition date:	2023-04-05
Last modified:	2023-06-16
Release date:	2023-06-21
Identifier:	[(3~{S},3~{a}~{R},4~{S},6~{S},6~{a}~{R},7~{S},8~{S},9~{b}~{S})-6-acetyloxy-3,6,9-trimethyl-8-[(~{Z})-2-methylbut-2-enoyl]oxy-3,3~{a}-bis(oxidanyl)-2-oxidanylidene-4-[4-[4-[(~{E})-phenyldiazenyl]phenyl]butanoyloxy]-4,5,6~{a},7,8,9~{b}-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

W7Z

W7Z
Name:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C19 H15 Cl N4 O2
SMILES:	Clc1cccc(OCC2=CC(=O)n3nc(nc3N2)c2ccccc2)c1C
InChi:	InChI=1S/C19H15ClN4O2/c1-12-15(20)8-5-9-16(12)26-11-14-10-17(25)24-19(21-14)22-18(23-24)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,21,22,23)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

WPU

WPU
Name:	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
Formula:	C11 H8 Cl2 N2 O2 S
SMILES:	Clc1ccc(cc1Cl)C1SCC2C(=O)NC(=O)N12
InChi:	InChI=1S/C11H8Cl2N2O2S/c12-6-2-1-5(3-7(6)13)10-15-8(4-18-10)9(16)14-11(15)17/h1-3,8,10H,4H2,(H,14,16,17)/t8-,10-/m1/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione

WFC

WFC
Name:	(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid
Formula:	C13 H12 Cl N O3
SMILES:	O=C(O)C1CC2C(C1)ON=C2c1ccc(Cl)cc1
InChi:	InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12-10-5-8(13(16)17)6-11(10)18-15-12/h1-4,8,10-11H,5-6H2,(H,16,17)/t8-,10-,11+/m1/s1
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid

WZ8

WZ8
Name:	2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
Formula:	C23 H28 N8 O
SMILES:	CC(C)c1cnn2c(NCc3ccccc3n4cccn4)nc(O[CH]5CCCNC5)nc12
InChi:	InChI=1S/C23H28N8O/c1-16(2)19-15-27-31-21(19)28-23(32-18-8-5-10-24-14-18)29-22(31)25-13-17-7-3-4-9-20(17)30-12-6-11-26-30/h3-4,6-7,9,11-12,15-16,18,24H,5,8,10,13-14H2,1-2H3,(H,25,28,29)/t18-/m1/s1
Definition date:	2023-05-24
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-[(3~{R})-piperidin-3-yl]oxy-8-propan-2-yl-~{N}-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

WJ8

WJ8
Name:	(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C12 H9 Cl N4 O
SMILES:	O=C1C=C(Nc2nc(nn12)c1ccccc1)CCl
InChi:	InChI=1S/C12H9ClN4O/c13-7-9-6-10(18)17-12(14-9)15-11(16-17)8-4-2-1-3-5-8/h1-6H,7H2,(H,14,15,16)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-(chloromethyl)-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

VM3

VM3
Name:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline
Formula:	C20 H15 Cl N2
SMILES:	Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35
InChi:	InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[1-(4-chlorophenyl)cyclopropyl]imidazo[2,1-a]isoquinoline

VM8

VM8
Name:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline
Formula:	C21 H20 N2
SMILES:	CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24
InChi:	InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3
Definition date:	2023-03-20
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline

TZU

TZU
Name:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Formula:	C17 H16 O5
SMILES:	O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1
InChi:	InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1
Synonyms:	GR24
Definition date:	2022-07-29
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

UK0

UK0
Name:	(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
Formula:	C20 H28 O3
SMILES:	C[CH]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc3cocc3
InChi:	InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1
Definition date:	2023-06-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid

EFI

EFI
Name:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1cc(ccc1)NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)12-4-2-5-13(7-12)21-15-6-1-3-11-8-22(10-20)9-14(11)15/h2,4-5,7,11,14-15,21H,1,3,6,8-9H2/t11-,14+,15-/m1/s1
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[3-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

EGK

EGK
Name:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile
Formula:	C16 H18 F3 N3
SMILES:	FC(F)(F)c1ccccc1NC1CCCC2CN(CC21)C#N
InChi:	InChI=1S/C16H18F3N3/c17-16(18,19)13-5-1-2-6-15(13)21-14-7-3-4-11-8-22(10-20)9-12(11)14/h1-2,5-6,11-12,14,21H,3-4,7-9H2/t11-,12+,14-/m1/s1
Definition date:	2021-12-06
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3aR,4R,7aS)-4-[2-(trifluoromethyl)anilino]octahydro-2H-isoindole-2-carbonitrile

IAH

IAH
Name:	3-[[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1H-pyridin-2-one
Formula:	C23 H25 N O4
SMILES:	C[CH]1C=C[CH]2CCCC[CH]2[CH]1C(=O)C3=C(O)C(=CNC3=O)c4ccc(O)cc4
InChi:	InChI=1S/C23H25NO4/c1-13-6-7-14-4-2-3-5-17(14)19(13)22(27)20-21(26)18(12-24-23(20)28)15-8-10-16(25)11-9-15/h6-14,17,19,25H,2-5H2,1H3,(H2,24,26,28)/t13-,14+,17-,19-/m1/s1
Definition date:	2022-06-23
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[[(1~{R},2~{R},4~{a}~{S},8~{a}~{R})-2-methyl-1,2,4~{a},5,6,7,8,8~{a}-octahydronaphthalen-1-yl]carbonyl]-5-(4-hydroxyphenyl)-4-oxidanyl-1~{H}-pyridin-2-one

K4I

K4I
Name:	(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Formula:	C23 H27 F N4 O3
SMILES:	CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1
InChi:	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1
Definition date:	2022-09-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

LE5

LE5
Name:	(8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Formula:	C18 H14 Cl N5 O
SMILES:	Clc1ccc(cc1)NCC1=CC(=O)n2nc(nc2N1)c1ccccc1
InChi:	InChI=1S/C18H14ClN5O/c19-13-6-8-14(9-7-13)20-11-15-10-16(25)24-18(21-15)22-17(23-24)12-4-2-1-3-5-12/h1-10,20H,11H2,(H,21,22,23)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one

U38

U38
Name:	Estradiol-17beta-glucuronide
Formula:	C24 H32 O8
SMILES:	C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2O[CH]5O[CH]([CH](O)[CH](O)[CH]5O)C(O)=O
InChi:	InChI=1S/C24H32O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1
Definition date:	2023-05-12
Last modified:	2023-06-02
Release date:	2023-06-07
Identifier:	(2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

WTT

WTT
Name:	[(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid
Formula:	C30 H28 F3 N3 O4
SMILES:	O=C(O)CC1CCC(CC1)c1ccc(cc1)c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChi:	InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21-
Definition date:	2022-10-18
Last modified:	2023-06-02
Release date:	2023-06-07
Identifier:	[(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid

Y9H

Y9H
Name:	(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole
Formula:	C17 H19 F N4
SMILES:	FCCC1CCN(CC1)c1nc2nc3ccccc3n2cc1
InChi:	InChI=1S/C17H19FN4/c18-9-5-13-6-10-21(11-7-13)16-8-12-22-15-4-2-1-3-14(15)19-17(22)20-16/h1-4,8,12-13H,5-7,9-11H2
Definition date:	2023-01-18
Last modified:	2023-06-02
Release date:	2023-06-07
Identifier:	(5S)-2-[4-(2-fluoroethyl)piperidin-1-yl]pyrimido[1,2-a]benzimidazole

RBR

RBR
Name:	rocuronium
Formula:	C32 H53 N2 O4
SMILES:	C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)C3CCC2(C)C1OC(C)=O)N1CCOCC1
InChi:	InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
Definition date:	2022-10-17
Last modified:	2023-06-02
Release date:	2023-06-07
Identifier:	17alpha-(acetyloxy)-3alpha-hydroxy-2beta-(morpholin-4-yl)-16alpha-[1-(prop-2-en-1-yl)pyrrolidin-1-ium-1-yl]-5beta,8alpha,14beta-androstane

<3 4 5 6 7 8 91011 12 13 14 15 16 17 18 >

221716

數據於2024-06-26公開中

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