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PDB Info pages Status search Chemie search: 39836 results BIRD

FK0

FK0
Name:	2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol
Formula:	C12 H8 Br Cl F N5 O
SMILES:	Nc1nc(Cl)c2nc(O)n(Cc3ccc(Br)cc3F)c2n1
InChi:	InChI=1S/C12H8BrClFN5O/c13-6-2-1-5(7(15)3-6)4-20-10-8(17-12(20)21)9(14)18-11(16)19-10/h1-3H,4H2,(H,17,21)(H2,16,18,19)
Definition date:	2020-05-27
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol

EA9

EA9
Name:	(4R)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Formula:	C27 H26 N4 O4
SMILES:	CCCOc1ccc(cc1OC)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24
InChi:	InChI=1S/C27H26N4O4/c1-3-13-35-21-11-10-18(14-22(21)34-2)26-23-24(19-8-4-5-9-20(19)32)29-30-25(23)27(33)31(26)16-17-7-6-12-28-15-17/h4-12,14-15,26,32H,3,13,16H2,1-2H3,(H,29,30)/t26-/m1/s1
Definition date:	2019-12-03
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(4~{R})-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

EAF

EAF
Name:	(4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
Formula:	C25 H22 N4 O3
SMILES:	CCOc1ccc(cc1)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c24
InChi:	InChI=1S/C25H22N4O3/c1-2-32-18-11-9-17(10-12-18)24-21-22(19-7-3-4-8-20(19)30)27-28-23(21)25(31)29(24)15-16-6-5-13-26-14-16/h3-14,24,30H,2,15H2,1H3,(H,27,28)/t24-/m1/s1
Definition date:	2019-12-03
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(4~{R})-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one

11R

11R
Name:	RUTHENIUM WIRE, 11 CARBON LINKER
Formula:	C51 H75 N7 O Ru
SMILES:	CN(C)c1cccc(c1)OCCCCCCCCCCCC1=CCN2C3=C4C(C=CC31)=CC=CN4[Ru]212(N3CCCCC3C3CCCCN31)N1CCC=CC1C1CCCCN12
InChi:	InChI=1S/C31H41N3O.C10H18N2.C10H16N2.Ru/c1-34(2)27-16-12-17-28(24-27)35-23-11-9-7-5-3-4-6-8-10-14-25-20-22-33-31-29(25)19-18-26-15-13-21-32-30(26)31
Synonyms:	BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[11-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)UNDECYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM
Definition date:	2006-02-27
Last modified:	2021-05-21
Identifier:	[(1R,1'R,2S,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][N,N-dimethyl-3-({11-[(1S,4aS,10S)-1,2,4a,10-tetrahydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~]undecyl}oxy)anilinato(2-)][(1R,6S)-6-[(1R,2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium

N55

N55
Name:	2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol
Formula:	C18 H15 Cl N2 O
SMILES:	Oc1ccc(cc1Cl)c2ccc(cc2)[CH](C=C)n3ccnc3
InChi:	InChI=1S/C18H15ClN2O/c1-2-17(21-10-9-20-12-21)14-5-3-13(4-6-14)15-7-8-18(22)16(19)11-15/h2-12,17,22H,1H2/t17-/m1/s1
Definition date:	2019-11-12
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2-chloranyl-4-[4-[(1~{R})-1-imidazol-1-ylprop-2-enyl]phenyl]phenol

N5W

N5W
Name:	1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
Formula:	C17 H13 F3 N2
SMILES:	FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2
InChi:	InChI=1S/C17H13F3N2/c18-17(19,20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-10-9-21-12-22/h1-10,12H,11H2
Definition date:	2019-11-12
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole

N5Z

N5Z
Name:	1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole
Formula:	C18 H15 F N2
SMILES:	Fc1ccc(cc1)c2ccc(C=CCn3ccnc3)cc2
InChi:	InChI=1S/C18H15FN2/c19-18-9-7-17(8-10-18)16-5-3-15(4-6-16)2-1-12-21-13-11-20-14-21/h1-11,13-14H,12H2/b2-1+
Definition date:	2019-11-12
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-[(~{E})-3-[4-(4-fluorophenyl)phenyl]prop-2-enyl]imidazole

Q5B

Q5B
Name:	(3S)-citryl-Coenzyme A
Formula:	C27 H42 N7 O22 P3 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)C[C](O)(CC(O)=O)C(O)=O
InChi:	InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1
Synonyms:	(2~{S})-2-[2-[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]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Definition date:	2020-05-18
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(2~{S})-2-[2-[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]ethylsulfanyl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

Q5E

Q5E
Name:	1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
Formula:	C15 H13 Cl6 N O4
SMILES:	OC(=O)CCCCCN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
InChi:	InChI=1S/C15H13Cl6NO4/c16-9-10(17)14(19)8-7(13(9,18)15(14,20)21)11(25)22(12(8)26)5-3-1-2-4-6(23)24/h7-8H,1-5H2,(H,23,24)/t7-,8+,13+,14-
Synonyms:	6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8- en-4-yl]hexanoic acid
Definition date:	2020-05-18
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	6-[(1~{R},2~{S},6~{R},7~{S})-1,7,8,9,10,10-hexakis(chloranyl)-3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl]hexanoic acid

Q9H

Q9H
Name:	(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C25 H31 N11 O8
SMILES:	NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O
InChi:	InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1
Definition date:	2020-05-28
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Q9K

Q9K
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol
Formula:	C26 H34 N12 O7
SMILES:	NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C26H34N12O7/c27-4-2-6-36(7-12-17(40)19(42)25(44-12)37-11-34-15-21(28)30-9-32-23(15)37)5-1-3-14-35-16-22(29)31-10-33-24(16)38(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,39-43H,2,4-8,27H2,(H2,28,30,32)(H2,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1
Definition date:	2020-05-28
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol

Q9N

Q9N
Name:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide
Formula:	C27 H34 N12 O8
SMILES:	NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56
InChi:	InChI=1S/C27H34N12O8/c28-5-1-4-15(40)31-7-12-18(41)21(44)27(46-12)39-14(37-17-23(30)33-10-35-25(17)39)3-2-6-45-8-13-19(42)20(43)26(47-13)38-11-36-16-22(29)32-9-34-24(16)38/h9-13,18-21,26-27,41-44H,1,4-8,28H2,(H,31,40)(H2,29,32,34)(H2,30,33,35)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1
Definition date:	2020-05-28
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide

RK2

RK2
Name:	4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C20 H21 N7 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4
InChi:	InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RK5

RK5
Name:	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
Formula:	C15 H15 N3 O
SMILES:	Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3
InChi:	InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18)
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine

RK8

RK8
Name:	4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C20 H20 Br N7 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4cccc(Br)n4
InChi:	InChI=1S/C20H20BrN7O/c1-11(29-19-5-3-4-16(21)26-19)10-28-12(2)24-15-7-6-14(25-20(15)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1
Definition date:	2020-09-30
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RKZ

RKZ
Name:	4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula:	C21 H22 N6 O
SMILES:	C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccc4
InChi:	InChI=1S/C21H22N6O/c1-13(28-16-6-4-3-5-7-16)12-27-14(2)24-18-9-8-17(25-21(18)27)15-10-19(22)26-20(23)11-15/h3-11,13H,12H2,1-2H3,(H4,22,23,26)/t13-/m1/s1
Definition date:	2020-10-01
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

RNZ

RNZ
Name:	2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium
Formula:	C29 H37 N2 O2
SMILES:	CC(C)(C)C[NH2+]C[CH](O)[CH](Cc1ccccc1)NC(=O)C(c2ccccc2)c3ccccc3
InChi:	InChI=1S/C29H36N2O2/c1-29(2,3)21-30-20-26(32)25(19-22-13-7-4-8-14-22)31-28(33)27(23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-27,30,32H,19-21H2,1-3H3,(H,31,33)/p+1/t25-,26+/m0/s1
Definition date:	2020-10-14
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium

SJA

SJA
Name:	Amorphadiene
Formula:	C15 H24
SMILES:	C[CH]1CC[CH]([CH]2C=C(C)CC[CH]12)C(C)=C
InChi:	InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1
Synonyms:	(1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene
Definition date:	2020-03-09
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(1~{R},4~{R},4~{a}~{S},8~{a}~{R})-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4~{a},5,6,8~{a}-octahydronaphthalene

DG4

DG4
Name:	phosphono (2S)-2-oxidanyl-3-phosphonooxy-propanoate
Formula:	C3 H8 O10 P2
SMILES:	O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
InChi:	InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m0/s1
Synonyms:	glycerate 1,3-biphosphate
Definition date:	2008-12-18
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	phosphono (2~{S})-2-oxidanyl-3-phosphonooxy-propanoate

SY5

SY5
Name:	2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid
Formula:	C12 H27 N5 O4
SMILES:	CN(CC(O)=O)NC(=O)C[CH](N)C[CH](O)CNCCCN
InChi:	InChI=1S/C12H27N5O4/c1-17(8-12(20)21)16-11(19)6-9(14)5-10(18)7-15-4-2-3-13/h9-10,15,18H,2-8,13-14H2,1H3,(H,16,19)(H,20,21)/t9-,10-/m1/s1
Synonyms:	N6-(3-aminopropyl)-negamycin
Definition date:	2020-12-03
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2-[[[(3~{R},5~{R})-3-azanyl-6-(3-azanylpropylamino)-5-oxidanyl-hexanoyl]amino]-methyl-amino]ethanoic acid

T2Q

T2Q
Name:	1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one
Formula:	C27 H25 F3 N4 O5 S
SMILES:	C[S](=O)(=O)C1CCN(CC1)c2cccc(CN3C=C(C=CC3=O)c4onc(n4)c5ccc(OC(F)(F)F)cc5)c2
InChi:	InChI=1S/C27H25F3N4O5S/c1-40(36,37)23-11-13-33(14-12-23)21-4-2-3-18(15-21)16-34-17-20(7-10-24(34)35)26-31-25(32-39-26)19-5-8-22(9-6-19)38-27(28,29)30/h2-10,15,17,23H,11-14,16H2,1H3
Definition date:	2020-12-14
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one

UDJ

UDJ
Name:	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
Formula:	C24 H31 N O
SMILES:	c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C
InChi:	InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1
Definition date:	2020-05-08
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one

UKJ

UKJ
Name:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
Formula:	C13 H7 Br F3 N O5 S
SMILES:	[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O
InChi:	InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H
Definition date:	2020-05-20
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene

ULD

ULD
Name:	cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile
Formula:	C15 H12 F5 N O4 S
SMILES:	N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(=O)C(F)(F)F
InChi:	InChI=1S/C15H12F5NO4S/c16-14(17)5-9-10(25-8-3-7(4-8)6-21)1-2-11(12(9)13(14)22)26(23,24)15(18,19)20/h1-2,7-8,13,22H,3-5H2/t7-,8+,13-/m0/s1
Definition date:	2020-05-21
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	cis-3-({(1S)-2,2-difluoro-1-hydroxy-7-[(trifluoromethyl)sulfonyl]-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile

ULG

ULG
Name:	(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
Formula:	C16 H11 F5 O2
SMILES:	FC(F)(F)c1ccc(c2c1C(O)CC2)Oc3cc(F)cc(c3)F
InChi:	InChI=1S/C16H11F5O2/c17-8-5-9(18)7-10(6-8)23-14-4-2-12(16(19,20)21)15-11(14)1-3-13(15)22/h2,4-7,13,22H,1,3H2/t13-/m1/s1
Definition date:	2020-05-21
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

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