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7L2

7L2
Name:	[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C24 H34 N10 O17 P3 S
SMILES:	C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH]6OC(C)(C)O[CH]26)c7N=C(N)NC(=O)c17
InChi:	InChI=1S/C24H33N10O17P3S/c1-24(2)48-14-9(47-21(15(14)49-24)34-7-32(3)11-17(34)29-23(26)31-19(11)38)5-45-53(41,42)51-54(43,55)50-52(39,40)44-4-8-12(35)13(36)20(46-8)33-6-27-10-16(33)28-22(25)30-18(10)37/h6-9,12-15,20-21,35-36H,4-5H2,1-3H3,(H8-,25,26,28,29,30,31,37,38,39,40,41,42,43,55)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,54+/m1/s1
Definition date:	2016-11-08
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

7LO

7LO
Name:	[[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C22 H32 N10 O17 P3 Se
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)O[CH]1n5c[n+](C)c6c(O)nc(N)nc56
InChi:	InChI=1S/C22H31N10O17P3Se/c1-30-6-32(16-10(30)18(37)29-22(24)27-16)20-14(43-2)12(34)8(47-20)4-45-51(40,41)49-52(42,53)48-50(38,39)44-3-7-11(33)13(35)19(46-7)31-5-25-9-15(31)26-21(23)28-17(9)36/h5-8,11-14,19-20,33-35H,3-4H2,1-2H3,(H8-,23,24,26,27,28,29,36,37,38,39,40,41,42,53)/p+1/t7-,8-,11-,12-,13-,14-,19-,20-,52+/m1/s1
Definition date:	2016-11-14
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[[[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-selanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

AQQ

AQQ
Name:	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid
Formula:	C8 H16 N2 O4
SMILES:	C[CH](N[CH](CCCN)C(O)=O)C(O)=O
InChi:	InChI=1S/C8H16N2O4/c1-5(7(11)12)10-6(8(13)14)3-2-4-9/h5-6,10H,2-4,9H2,1H3,(H,11,12)(H,13,14)/t5-,6+/m1/s1
Definition date:	2017-08-22
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(2~{S})-5-azanyl-2-[[(2~{R})-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]pentanoic acid

82I

82I
Name:	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
Formula:	C6 H8 Cl N3 O
SMILES:	CNC1=C(Cl)C(=O)N(C)N=C1
InChi:	InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one

84F

84F
Name:	(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
Formula:	C20 H23 N O6
SMILES:	COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3
InChi:	InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18+/m0/s1
Definition date:	2017-04-13
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	(3~{S},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

856

856
Name:	O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate
Formula:	C11 H12 O5
SMILES:	COC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
Definition date:	2017-04-19
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate

8DP

8DP
Name:	8-demethyl-8-aminoriboflavin-5'-phosphate
Formula:	C16 H19 N5 O9 P
SMILES:	Cc1cc2nc3C(=O)NC(=O)Nc3[n+](CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1N
InChi:	InChI=1S/C16H18N5O9P/c1-6-2-8-9(3-7(6)17)21(14-12(18-8)15(25)20-16(26)19-14)4-10(22)13(24)11(23)5-30-31(27,28)29/h2-3,11,13,23-24H,4-5H2,1H3,(H5,17,19,20,25,26,27,28,29)/p+1/t11-,13+/m0/s1
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	[(2~{S},3~{S})-5-[8-azanyl-7-methyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-ium-10-yl]-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] dihydrogen phosphate

8Q6

8Q6
Name:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
Formula:	C20 H21 N O6
SMILES:	CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(C)=O
InChi:	InChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3
Definition date:	2016-12-09
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate

RNK

RNK
Name:	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
Formula:	C11 H12 Cl N3 O S
SMILES:	CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
InChi:	InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3
Definition date:	2016-12-06
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one

ACK

ACK
Name:	2',3'- cyclic AMP
Formula:	C10 H12 N5 O6 P
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34
InChi:	InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Definition date:	2006-06-16
Last modified:	2017-12-13
Identifier:	[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(6-aminopurin-9-yl)-2-oxidanyl-2-oxidanylidene-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methanol

Y83

Y83
Name:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
Formula:	C31 H37 N5 O3 S
SMILES:	CC(C)(C)OC(=O)NC(CSCC(C(=O)NCc1cnccc1)Nc2ccccc2)Cc4c3c(cccc3)nc4
InChi:	InChI=1S/C31H37N5O3S/c1-31(2,3)39-30(38)36-25(16-23-19-33-27-14-8-7-13-26(23)27)20-40-21-28(35-24-11-5-4-6-12-24)29(37)34-18-22-10-9-15-32-17-22/h4-15,17,19,25,28,33,35H,16,18,20-21H2,1-3H3,(H,34,37)(H,36,38)/t25-,28+/m0/s1
Definition date:	2017-10-25
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate

V45

V45
Name:	(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide
Formula:	C23 H30 Cl N3 O5
SMILES:	C1(CN(C(O1)=O)C(CC(C)C)C(=O)NC(CC2CCNC2=O)C=O)Cc3cccc(c3)Cl
InChi:	InChI=1S/C23H30ClN3O5/c1-14(2)8-20(22(30)26-18(13-28)11-16-6-7-25-21(16)29)27-12-19(32-23(27)31)10-15-4-3-5-17(24)9-15/h3-5,9,13-14,16,18-20H,6-8,10-12H2,1-2H3,(H,25,29)(H,26,30)/t16-,18-,19?,20-/m0/s1
Definition date:	2017-07-14
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	(2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide

9VE

9VE
Name:	[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate
Formula:	C32 H34 Cl2 F2 N3 O8 S
SMILES:	CN(C)C(=O)c1cccc(c1)[S](=O)(=O)N2CCC[CH]2C(=O)O[CH](Cc3c(Cl)c[n+](O)cc3Cl)c4ccc(OC(F)F)c(OCC5CC5)c4
InChi:	InChI=1S/C32H34Cl2F2N3O8S/c1-37(2)30(40)21-5-3-6-22(13-21)48(43,44)39-12-4-7-26(39)31(41)46-28(15-23-24(33)16-38(42)17-25(23)34)20-10-11-27(47-32(35)36)29(14-20)45-18-19-8-9-19/h3,5-6,10-11,13-14,16-17,19,26,28,32,42H,4,7-9,12,15,18H2,1-2H3/q+1/t26-,28-/m0/s1
Definition date:	2017-07-17
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate

BGK

BGK
Name:	4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
Formula:	C13 H8 N2 O2 S
SMILES:	O=Cc1ccc(Oc2sc3cccnc3n2)cc1
InChi:	InChI=1S/C13H8N2O2S/c16-8-9-3-5-10(6-4-9)17-13-15-12-11(18-13)2-1-7-14-12/h1-8H
Definition date:	2017-10-04
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde

BGW

BGW
Name:	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
Formula:	C20 H20 N2 O3 S
SMILES:	OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc2
InChi:	InChI=1S/C20H20N2O3S/c23-19(24)15-9-11-22(12-10-15)13-14-5-7-16(8-6-14)25-20-21-17-3-1-2-4-18(17)26-20/h1-8,15H,9-13H2,(H,23,24)
Definition date:	2017-10-04
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid

BYB

BYB
Name:	(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
Formula:	C19 H18 F2 N6 O2
SMILES:	OC(=O)[CH]1C2CCC(CC2)[CH]1Nc3nc(ncc3F)c4n[nH]c5ncc(F)cc45
InChi:	InChI=1S/C19H18F2N6O2/c20-10-5-11-15(26-27-16(11)22-6-10)18-23-7-12(21)17(25-18)24-14-9-3-1-8(2-4-9)13(14)19(28)29/h5-9,13-14H,1-4H2,(H,28,29)(H,22,26,27)(H,23,24,25)/t8-,9+,13-,14-/m0/s1
Definition date:	2017-10-31
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	(2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid

BUW

BUW
Name:	R-ethopropazine
Formula:	C19 H24 N2 S
SMILES:	CCN(CC)[CH](C)CN1c2ccccc2Sc3ccccc13
InChi:	InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m1/s1
Definition date:	2017-10-14
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	(2~{R})-~{N},~{N}-diethyl-1-phenothiazin-10-yl-propan-2-amine

BVE

BVE
Name:	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
Formula:	C31 H27 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(CC[n+]2c(cc(cc2c3ccccc3)c4ccccc4)c5ccccc5)cc1
InChi:	InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1
Definition date:	2017-10-16
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide

H19

H19
Name:	huprine 19
Formula:	C18 H21 Cl N3
SMILES:	Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](C=C(CC[NH3+])C4)c13
InChi:	InChI=1S/C18H20ClN3/c19-13-1-2-14-15(9-13)22-16-8-11-5-10(3-4-20)6-12(7-11)17(16)18(14)21/h1-2,6,9,11-12H,3-5,7-8,20H2,(H2,21,22)/p+1/t11-,12+/m1/s1
Definition date:	2017-10-15
Last modified:	2017-12-08
Release date:	2017-12-13

8UZ

8UZ
Name:	TC007
Formula:	C18 H37 N5 O10
SMILES:	NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH](N)[CH]3O)[CH](N)[CH](O)[CH]1O
InChi:	InChI=1S/C18H37N5O10/c19-2-6-12(27)13(28)9(23)17(30-6)32-15-5(21)1-4(20)10(25)16(15)33-18-14(29)8(22)11(26)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2/t4-,5+,6-,7-,8+,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
Definition date:	2017-03-09
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(aminomethyl)-5-azanyl-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]oxy-oxane-3,4-diol

E4S

E4S
Name:	5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide
Formula:	C29 H27 F N6 O4 S
SMILES:	COc2c(S(Nc1c(cccc1)F)(=O)=O)cc(cn2)c3cc4c(cc3)nc(n4c5ccc(cc5)N6CCOCC6)N
InChi:	InChI=1S/C29H27FN6O4S/c1-39-28-27(41(37,38)34-24-5-3-2-4-23(24)30)17-20(18-32-28)19-6-11-25-26(16-19)36(29(31)33-25)22-9-7-21(8-10-22)35-12-14-40-15-13-35/h2-11,16-18,34H,12-15H2,1H3,(H2,31,33)
Definition date:	2017-12-04
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide

E5J

E5J
Name:	5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine
Formula:	C26 H34 Cl N6 O2 P
SMILES:	C1N(CCC(N(C)C)C1)c2ccc(c(c2)OC)Nc4nc(Nc3c(P(C)(=O)C)cccc3)c(Cl)cn4
InChi:	InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
Definition date:	2017-12-04
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine

E5M

E5M
Name:	(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one
Formula:	C15 H15 F2 N5 O2
SMILES:	c23cnc(Nc1cc(F)c(c(c1)F)O)nc2N(C(C(N3C)=O)C)C
InChi:	InChI=1S/C15H15F2N5O2/c1-7-14(24)22(3)11-6-18-15(20-13(11)21(7)2)19-8-4-9(16)12(23)10(17)5-8/h4-7,23H,1-3H3,(H,18,19,20)/t7-/m0/s1
Definition date:	2017-12-04
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	(7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one

AJJ

AJJ
Name:	4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol
Formula:	C14 H17 N3 O2
SMILES:	C1CN(C)CCC1c2noc(n2)c3ccc(cc3)O
InChi:	InChI=1S/C14H17N3O2/c1-17-8-6-10(7-9-17)13-15-14(19-16-13)11-2-4-12(18)5-3-11/h2-5,10,18H,6-9H2,1H3
Definition date:	2017-07-18
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	4-[3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenol

DJ1

DJ1
Name:	tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate
Formula:	C30 H41 N5 O3 S
SMILES:	C4(NC(C(=O)NCc1cccnc1)CSCC(Cc2cnc3c2cccc3)NC(=O)OC(C)(C)C)CCCC4
InChi:	InChI=1S/C30H41N5O3S/c1-30(2,3)38-29(37)35-24(15-22-18-32-26-13-7-6-12-25(22)26)19-39-20-27(34-23-10-4-5-11-23)28(36)33-17-21-9-8-14-31-16-21/h6-9,12-14,16,18,23-24,27,32,34H,4-5,10-11,15,17,19-20H2,1-3H3,(H,33,36)(H,35,37)/t24-,27-/m0/s1
Definition date:	2017-10-25
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate

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