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K73

K73
Name:	(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
Formula:	C22 H28 N4 O2
SMILES:	NCc1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)cc1
InChi:	InChI=1S/C22H28N4O2/c23-14-17-8-10-18(11-9-17)15-25-21(27)20-7-4-12-26(20)22(28)19(24)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20H,4,7,12-15,23-24H2,(H,25,27)/t19-,20+/m1/s1
Definition date:	2019-10-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

E80

E80
Name:	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C21 H28 N2 O3
SMILES:	CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

E8L

E8L
Name:	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C20 H26 N2 O4
SMILES:	CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

E8O

E8O
Name:	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
Formula:	C21 H28 N2 O3
SMILES:	CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O
InChi:	InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
Definition date:	2019-11-19
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid

ELR

ELR
Name:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELU

ELU
Name:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
Formula:	C20 H38 O7 P2
SMILES:	C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate

ELX

ELX
Name:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
Formula:	C20 H34 O
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
InChi:	InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
Definition date:	2020-01-15
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol

FJF

FJF
Name:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
Formula:	C9 H12 N2 O6
SMILES:	OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
InChi:	InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
Definition date:	2020-05-20
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione

GMX

GMX
Name:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
Formula:	C11 H16 N5 O8 P
SMILES:	OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O
InChi:	InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1
Definition date:	2020-01-06
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one

WJM

WJM
Name:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Formula:	C11 H15 N3 O3
SMILES:	N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
InChi:	InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

WJS

WJS
Name:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
Formula:	C24 H20 N O9 P
SMILES:	[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
InChi:	InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid

WK7

WK7
Name:	3-fluoro-4-(piperazin-1-yl)benzonitrile
Formula:	C11 H12 F N3
SMILES:	C2N(c1c(F)cc(C#N)cc1)CCNC2
InChi:	InChI=1S/C11H12FN3/c12-10-7-9(8-13)1-2-11(10)15-5-3-14-4-6-15/h1-2,7,14H,3-6H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-4-(piperazin-1-yl)benzonitrile

WKD

WKD
Name:	(2R)-2-(4-cyanophenoxy)propanamide
Formula:	C10 H10 N2 O2
SMILES:	c1cc(OC(C)C(N)=O)ccc1C#N
InChi:	InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-4-2-8(6-11)3-5-9/h2-5,7H,1H3,(H2,12,13)/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-2-(4-cyanophenoxy)propanamide

WKG

WKG
Name:	1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one
Formula:	C13 H23 N O
SMILES:	C1C2(CCCCC1)CCCN(C(C)=O)C2
InChi:	InChI=1S/C13H23NO/c1-12(15)14-10-6-9-13(11-14)7-4-2-3-5-8-13/h2-11H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(2-azaspiro[5.6]dodecan-2-yl)ethan-1-one

WKJ

WKJ
Name:	(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
Formula:	C11 H14 Cl N O
SMILES:	c2(ccc(CN1CCC(C1)O)cc2)Cl
InChi:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)7-13-6-5-11(14)8-13/h1-4,11,14H,5-8H2/t11-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol

WKP

WKP
Name:	(4-methoxyphenyl)(piperidin-4-yl)methanone
Formula:	C13 H17 N O2
SMILES:	C2NCCC(C(c1ccc(cc1)OC)=O)C2
InChi:	InChI=1S/C13H17NO2/c1-16-12-4-2-10(3-5-12)13(15)11-6-8-14-9-7-11/h2-5,11,14H,6-9H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(4-methoxyphenyl)(piperidin-4-yl)methanone

WKS

WKS
Name:	2,4-dimethyl-6-(piperazin-1-yl)pyrimidine
Formula:	C10 H16 N4
SMILES:	C1CNCCN1c2cc(C)nc(n2)C
InChi:	InChI=1S/C10H16N4/c1-8-7-10(13-9(2)12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2,4-dimethyl-6-(piperazin-1-yl)pyrimidine

WKV

WKV
Name:	N-[(5-bromo-2-methoxyphenyl)methyl]acetamide
Formula:	C10 H12 Br N O2
SMILES:	C(c1c(OC)ccc(c1)Br)NC(=O)C
InChi:	InChI=1S/C10H12BrNO2/c1-7(13)12-6-8-5-9(11)3-4-10(8)14-2/h3-5H,6H2,1-2H3,(H,12,13)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(5-bromo-2-methoxyphenyl)methyl]acetamide

N47

N47
Name:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
Formula:	C20 H29 N5 O2
SMILES:	N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:	InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
Definition date:	2019-05-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

WL4

WL4
Name:	N-(3-cyanophenyl)-2-methylpropanamide
Formula:	C11 H12 N2 O
SMILES:	c1ccc(NC(C(C)C)=O)cc1C#N
InChi:	InChI=1S/C11H12N2O/c1-8(2)11(14)13-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(3-cyanophenyl)-2-methylpropanamide

WL7

WL7
Name:	4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide
Formula:	C9 H14 N2 O3 S
SMILES:	c1c(ccc(c1)N)S(N(C)CCO)(=O)=O
InChi:	InChI=1S/C9H14N2O3S/c1-11(6-7-12)15(13,14)9-4-2-8(10)3-5-9/h2-5,12H,6-7,10H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide

WLD

WLD
Name:	(2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
Formula:	C10 H13 Cl2 N O
SMILES:	c1c(c(c(cc1)Cl)CNCC(C)O)Cl
InChi:	InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2S)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol

WLG

WLG
Name:	1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one
Formula:	C10 H15 F2 N O2
SMILES:	C2CN(CC1(CC1)C2)C(COC(F)F)=O
InChi:	InChI=1S/C10H15F2NO2/c11-9(12)15-6-8(14)13-5-1-2-10(7-13)3-4-10/h9H,1-7H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(5-azaspiro[2.5]octan-5-yl)-2-(difluoromethoxy)ethan-1-one

WLS

WLS
Name:	1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine
Formula:	C11 H12 N2 S
SMILES:	c1(cccs1)CNCc2ccncc2
InChi:	InChI=1S/C11H12N2S/c1-2-11(14-7-1)9-13-8-10-3-5-12-6-4-10/h1-7,13H,8-9H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(pyridin-4-yl)-N-[(thiophen-2-yl)methyl]methanamine

WLV

WLV
Name:	N-(3-fluorophenyl)-2-phenoxyacetamide
Formula:	C14 H12 F N O2
SMILES:	C(Oc1ccccc1)C(=O)Nc2cccc(c2)F
InChi:	InChI=1S/C14H12FNO2/c15-11-5-4-6-12(9-11)16-14(17)10-18-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(3-fluorophenyl)-2-phenoxyacetamide

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