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9OU

9OU
Name:	1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol
Formula:	C24 H27 N4 O10 P
SMILES:	C1(C3=C(NC(N1)=O)N(c2c(cc(C)c(C)c2)N3C(=O)c4ccccc4)CC(C(C(COP(=O)(O)O)O)O)O)=O
InChi:	InChI=1S/C24H27N4O10P/c1-12-8-15-16(9-13(12)2)28(23(33)14-6-4-3-5-7-14)19-21(25-24(34)26-22(19)32)27(15)10-17(29)20(31)18(30)11-38-39(35,36)37/h3-9,17-18,20,29-31H,10-11H2,1-2H3,(H2,35,36,37)(H2,25,26,32,34)/t17-,18+,20-/m0/s1
Definition date:	2018-06-15
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol

9P3

9P3
Name:	1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol
Formula:	C19 H24 N4 O11 P
SMILES:	C2=4N(c1cc(C)c(C)cc1[N+]3(C2(O3)C(=O)NC(N=4)=O)C(C)=O)CC(C(C(O)COP(O)(O)=O)O)O
InChi:	InChI=1S/C19H23N4O11P/c1-8-4-11-12(5-9(8)2)23(10(3)24)19(34-23)16(20-18(29)21-17(19)28)22(11)6-13(25)15(27)14(26)7-33-35(30,31)32/h4-5,13-15,25-27H,6-7H2,1-3H3,(H2-,21,28,29,30,31,32)/p+1/t13-,14+,15-,19+,23+/m0/s1
Definition date:	2018-06-15
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol

9P9

9P9
Name:	1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol
Formula:	C22 H28 F N4 O13 P
SMILES:	OP(=O)(O)OCC(O)C(C(CN2c1cc(C)c(C)cc1N(C(=O)CC(C(O)=O)(O)CF)C3=C2NC(NC3=O)=O)O)O
InChi:	InChI=1S/C22H28FN4O13P/c1-9-3-11-12(4-10(9)2)27(15(30)5-22(36,8-23)20(33)34)16-18(24-21(35)25-19(16)32)26(11)6-13(28)17(31)14(29)7-40-41(37,38)39/h3-4,13-14,17,28-29,31,36H,5-8H2,1-2H3,(H,33,34)(H2,37,38,39)(H2,24,25,32,35)/t13-,14+,17-,22+/m0/s1
Definition date:	2018-06-20
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol

9PF

9PF
Name:	1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol
Formula:	C19 H26 F N4 O10 P
SMILES:	Cc1cc2c(cc1C)N(C(O)CF)C3=C(N2CC(C(O)C(COP(O)(O)=O)O)O)NC(NC3=O)=O
InChi:	InChI=1S/C19H26FN4O10P/c1-8-3-10-11(4-9(8)2)24(14(27)5-20)15-17(21-19(30)22-18(15)29)23(10)6-12(25)16(28)13(26)7-34-35(31,32)33/h3-4,12-14,16,25-28H,5-7H2,1-2H3,(H2,31,32,33)(H2,21,22,29,30)/t12-,13+,14-,16-/m0/s1
Definition date:	2018-06-20
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol

9PX

9PX
Name:	1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:	C19 H25 N4 O13 P
SMILES:	Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(N3)OOC(=O)OC)CC(C(C(O)COP(O)(=O)O)O)O
InChi:	InChI=1S/C19H25N4O13P/c1-8-4-10-11(5-9(8)2)23(6-12(24)14(26)13(25)7-34-37(30,31)32)15-19(22-10,36-35-18(29)33-3)16(27)21-17(28)20-15/h4-5,12-14,22,24-26H,6-7H2,1-3H3,(H,21,27,28)(H2,30,31,32)/t12-,13+,14-,19-/m0/s1
Definition date:	2018-06-20
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol

9Q0

9Q0
Name:	1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol
Formula:	C25 H30 N5 O11 P
SMILES:	C4(c2c([n+](c1cc(c(cc1[n+]2C(c3ccccc3)(C(=O)N)O)C)C)CC(C(C(O)COP(O)(O)=O)O)O)NC(N4)=O)=O
InChi:	InChI=1S/C25H28N5O11P/c1-12-8-15-16(9-13(12)2)30(25(37,23(26)35)14-6-4-3-5-7-14)19-21(27-24(36)28-22(19)34)29(15)10-17(31)20(33)18(32)11-41-42(38,39)40/h3-9,17-18,20,31-33,37H,10-11H2,1-2H3,(H4-,26,28,34,35,36,38,39,40)/p+2/t17-,18+,20-,25-/m0/s1
Definition date:	2018-06-20
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol

9Q6

9Q6
Name:	1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol
Formula:	C17 H23 N4 O10 P
SMILES:	Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(O)N3)CC(C(C(O)COP(O)(O)=O)O)O
InChi:	InChI=1S/C17H23N4O10P/c1-7-3-9-10(4-8(7)2)21(14-17(27,20-9)15(25)19-16(26)18-14)5-11(22)13(24)12(23)6-31-32(28,29)30/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1
Definition date:	2018-06-20
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol

9QF

9QF
Name:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate
Formula:	C17 H23 N4 O11 P
SMILES:	Cc1cc2N[C]3(OO)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C17H23N4O11P/c1-7-3-9-10(4-8(7)2)21(5-11(22)13(24)12(23)6-31-33(28,29)30)14-17(20-9,32-27)15(25)19-16(26)18-14/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1
Definition date:	2018-06-21
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	[(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate

7YC

7YC
Name:	(E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile
Formula:	C14 H13 N3 O6
SMILES:	Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O
InChi:	InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+
Definition date:	2017-02-09
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile

J4G

J4G
Name:	3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)
Formula:	C15 H22 N7 O9 P
SMILES:	NC(C(NC3C(C(n2c1c(c(ncn1)N)nc2)OC3COP(O)(=O)O)O)=O)CCC(O)=O
InChi:	InChI=1S/C15H22N7O9P/c16-6(1-2-8(23)24)14(26)21-9-7(3-30-32(27,28)29)31-15(11(9)25)22-5-20-10-12(17)18-4-19-13(10)22/h4-7,9,11,15,25H,1-3,16H2,(H,21,26)(H,23,24)(H2,17,18,19)(H2,27,28,29)/t6-,7+,9+,11+,15+/m0/s1
Definition date:	2018-08-09
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate)

JKB

JKB
Name:	(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
Formula:	C18 H17 F N4 O5
SMILES:	[O-][N+](=O)c1ccc(C(=O)N2CCN(CC2)Cc3ccc(F)cc3)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C18H17FN4O5/c19-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)18(24)16-6-5-15(22(25)26)11-17(16)23(27)28/h1-6,11H,7-10,12H2
Definition date:	2019-03-07
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

B8C

B8C
Name:	(~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid
Formula:	C21 H25 N4 O15 P
SMILES:	Cc1cc2N[C]3(OC(C(O)=O)=C(O)C(O)=O)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
InChi:	InChI=1S/C21H25N4O15P/c1-7-3-9-10(4-8(7)2)25(5-11(26)13(28)12(27)6-39-41(36,37)38)18-21(24-9,19(34)23-20(35)22-18)40-15(17(32)33)14(29)16(30)31/h3-4,11-13,24,26-29H,5-6H2,1-2H3,(H,30,31)(H,32,33)(H,23,34,35)(H2,36,37,38)/b15-14+/t11-,12-,13-,21-/m0/s1
Definition date:	2019-01-21
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(~{E})-2-[[(4~{a}~{S})-7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2~{S},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-5~{H}-benzo[g]pteridin-4~{a}-yl]oxy]-3-oxidanyl-but-2-enedioic acid

F6G

F6G
Name:	6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one
Formula:	C8 H17 N4 O13 P3
SMILES:	C1(NC(N)=NCN1C2OC(C(C2)O)COP(O)(=O)OP(O)(OP(O)(O)=O)=O)=O
InChi:	InChI=1S/C8H17N4O13P3/c9-7-10-3-12(8(14)11-7)6-1-4(13)5(23-6)2-22-27(18,19)25-28(20,21)24-26(15,16)17/h4-6,13H,1-3H2,(H,18,19)(H,20,21)(H2,15,16,17)(H3,9,10,11,14)/t4-,5+,6+/m0/s1
Definition date:	2018-03-05
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one

KZP

KZP
Name:	5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine
Formula:	C25 H20 Cl N7
SMILES:	c2cnc(Nc1ccc(Cl)cc1)c5c2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C
InChi:	InChI=1S/C25H20ClN7/c1-3-33-25-22(23(27)29-14-30-25)21(32-33)11-10-18-15(2)4-9-20-19(18)12-13-28-24(20)31-17-7-5-16(26)6-8-17/h4-9,12-14H,3H2,1-2H3,(H,28,31)(H2,27,29,30)
Definition date:	2019-01-28
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine

E8K

E8K
Name:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate
Formula:	C23 H27 N3 O4 S
SMILES:	O=C(OCC1CCN(CCN[S](=O)(=O)c2ccccc2)CC1)c3c[nH]c4ccccc34
InChi:	InChI=1S/C23H27N3O4S/c27-23(21-16-24-22-9-5-4-8-20(21)22)30-17-18-10-13-26(14-11-18)15-12-25-31(28,29)19-6-2-1-3-7-19/h1-9,16,18,24-25H,10-15,17H2
Definition date:	2018-03-02
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 1~{H}-indole-3-carboxylate

MKM

MKM
Name:	3beta-(2-Diethylaminoethoxy)androst-5-en-17-one
Formula:	C25 H41 N O2
SMILES:	N(CCOC2CCC3(C1CCC4(C(C1CC=C3C2)CCC4=O)C)C)(CC)CC
InChi:	InChI=1S/C25H41NO2/c1-5-26(6-2)15-16-28-19-11-13-24(3)18(17-19)7-8-20-21-9-10-23(27)25(21,4)14-12-22(20)24/h7,19-22H,5-6,8-17H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
Definition date:	2019-04-08
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(3alpha,8alpha,14beta)-3-[2-(diethylamino)ethoxy]androst-5-en-17-one

JXA

JXA
Name:	(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol
Formula:	C13 H14 Cl2 N4 O2
SMILES:	C1(C(CNC1Cn3cc(c2cc(cc(Cl)c2)Cl)nn3)O)O
InChi:	InChI=1S/C13H14Cl2N4O2/c14-8-1-7(2-9(15)3-8)10-5-19(18-17-10)6-11-13(21)12(20)4-16-11/h1-3,5,11-13,16,20-21H,4,6H2/t11-,12-,13+/m1/s1
Definition date:	2018-10-08
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol

D96

D96
Name:	N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid
Formula:	C19 H19 N5 O6
SMILES:	N=2c1ncc(c1C(NC=2N)=O)Cc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O
InChi:	InChI=1S/C19H19N5O6/c20-19-23-15-14(17(28)24-19)11(8-21-15)7-9-1-3-10(4-2-9)16(27)22-12(18(29)30)5-6-13(25)26/h1-4,8,12H,5-7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t12-/m1/s1
Definition date:	2019-04-15
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid

MVM

MVM
Name:	N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide
Formula:	C22 H20 Cl N7 O
SMILES:	C1CC(CNC1)N(c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)=O
InChi:	InChI=1S/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2/t17-/m1/s1
Definition date:	2019-04-17
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide

H9G

H9G
Name:	(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine
Formula:	C18 H16 N8 O2
SMILES:	c1(cccc(c1)c2nnnn2)Oc5c3c(OCC3C)c4c(N)nc(nc4c5)N
InChi:	InChI=1S/C18H16N8O2/c1-8-7-27-15-13(8)12(6-11-14(15)16(19)22-18(20)21-11)28-10-4-2-3-9(5-10)17-23-25-26-24-17/h2-6,8H,7H2,1H3,(H4,19,20,21,22)(H,23,24,25,26)/t8-/m0/s1
Definition date:	2018-06-18
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	(3R)-3-methyl-4-[3-(1H-tetrazol-5-yl)phenoxy]-2,3-dihydrofuro[2,3-f]quinazoline-7,9-diamine

NO7

NO7
Name:	9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine
Formula:	C13 H17 N5 O10 P2
SMILES:	c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)(=O)OP(O)(O)=O)O3)O)O
InChi:	InChI=1S/C13H17N5O10P2/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(20)9(19)7(27-13)4-26-30(24,25)28-29(21,22)23/h1,5-7,9-10,13,19-20H,3-4H2,(H,24,25)(H,14,15,16)(H2,21,22,23)/t7-,9-,10-,13+/m1/s1
Definition date:	2019-05-23
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine

LPJ

LPJ
Name:	FE(6)-S(7) CLUSTER
Formula:	Fe6 S7
SMILES:	S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2
InChi:	InChI=1S/6Fe.7S
Definition date:	2019-03-08
Last modified:	2019-06-14
Release date:	2019-06-19

KBW

KBW
Name:	Re4(mu3-OH)4(CO)12
Formula:	C12 O16 Re4
SMILES:	[Re]O[Re]1O[Re]O[Re]O1.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O
InChi:	InChI=1S/12CHO.4O.4Re/c12*1-2
Definition date:	2019-05-10
Last modified:	2019-06-14
Release date:	2019-06-19

F3K

F3K
Name:	Ruthenium (bis-(tetraazaphenanthrene)) (11-bromo-dipyridophenazine)
Formula:	C38 H21 Br N12 Ru
SMILES:	Brc1ccc2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1
InChi:	InChI=1S/C18H9BrN4.2C10H6N4.Ru/c19-10-5-6-13-14(9-10)23-18-12-4-2-8-21-16(12)15-11(17(18)22-13)3-1-7-20-15
Definition date:	2018-05-24
Last modified:	2019-06-14
Release date:	2019-06-19

503

503
Name:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate
Formula:	C24 H28 F N3 O5 S
SMILES:	COc1[nH]c2ccc(F)cc2c1C(=O)OCC3CCN(CCN[S](=O)(=O)c4ccccc4)CC3
InChi:	InChI=1S/C24H28FN3O5S/c1-32-23-22(20-15-18(25)7-8-21(20)27-23)24(29)33-16-17-9-12-28(13-10-17)14-11-26-34(30,31)19-5-3-2-4-6-19/h2-8,15,17,26-27H,9-14,16H2,1H3
Definition date:	2018-03-02
Last modified:	2019-06-14
Release date:	2019-06-19
Identifier:	[1-[2-(phenylsulfonylamino)ethyl]piperidin-4-yl]methyl 5-fluoranyl-2-methoxy-1~{H}-indole-3-carboxylate

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