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9N3

9N3
Name:	2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol
Formula:	C25 H29 N O3 S
SMILES:	CC(C)(C)c1cc(CCc2ccccn2)cc(c1)c3ccc(cc3)[S](=O)(=O)CCO
InChi:	InChI=1S/C25H29NO3S/c1-25(2,3)22-17-19(7-10-23-6-4-5-13-26-23)16-21(18-22)20-8-11-24(12-9-20)30(28,29)15-14-27/h4-6,8-9,11-13,16-18,27H,7,10,14-15H2,1-3H3
Definition date:	2018-06-03
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[3-~{tert}-butyl-5-(2-pyridin-2-ylethyl)phenyl]phenyl]sulfonylethanol

A50

A50
Name:	2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
Formula:	C26 H31 N O3 S
SMILES:	c3c(S(CCO)(=O)=O)ccc(c2cc(CCc1ccccn1)c(cc2)CCCCC)c3
InChi:	InChI=1S/C26H31NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-10,12-13,15-17,20,28H,2-4,7,11,14,18-19H2,1H3
Definition date:	2018-09-21
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-({4'-pentyl-3'-[2-(pyridin-2-yl)ethyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol

J4Q

J4Q
Name:	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
Formula:	C8 H9 N3 O2 S2
SMILES:	C[S](=O)(=O)c1nccn1Cc2cscn2
InChi:	InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3
Definition date:	2019-01-24
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole

A59

A59
Name:	2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol
Formula:	C26 H29 N O3 S
SMILES:	c3c(S(CCO)(=O)=O)ccc(c2cc([C@H]=Cc1ccccn1)c(cc2)CCCCC)c3
InChi:	InChI=1S/C26H29NO3S/c1-2-3-4-7-21-9-10-23(20-24(21)11-14-25-8-5-6-17-27-25)22-12-15-26(16-13-22)31(29,30)19-18-28/h5-6,8-17,20,28H,2-4,7,18-19H2,1H3/b14-11-
Definition date:	2018-09-21
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-({4'-pentyl-3'-[(Z)-2-(pyridin-2-yl)ethenyl][1,1'-biphenyl]-4-yl}sulfonyl)ethan-1-ol

J9H

J9H
Name:	pentacoordinate Pt(II) compound
Formula:	C17 H18 N3 Pt
SMILES:	CC1=CCc2ccc3ccc(C)[n+]4c3c2N1[Pt]4(C)N.C=C
InChi:	InChI=1S/C14H13N2.C2H2.CH3.H2N.Pt/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9
Definition date:	2019-02-12
Last modified:	2019-02-22
Release date:	2019-02-27

JDG

JDG
Name:	2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine
Formula:	C31 H49 N5 O2
SMILES:	C1N(CCC1)CCCOc5c(cc2c(N=C(CN=C2NC3CCN(CC3)C(C)C)C4CCCCC4)c5)OC
InChi:	InChI=1S/C31H49N5O2/c1-23(2)36-17-12-25(13-18-36)33-31-26-20-29(37-3)30(38-19-9-16-35-14-7-8-15-35)21-27(26)34-28(22-32-31)24-10-5-4-6-11-24/h20-21,23-25H,4-19,22H2,1-3H3,(H,32,33)
Definition date:	2018-08-31
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine

JGB

JGB
Name:	(~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide
Formula:	C10 H8 N2 O3
SMILES:	NC(=O)C(=Cc1ccc(O)c(O)c1)C#N
InChi:	InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
Definition date:	2019-02-20
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(~{E})-3-[3,4-bis(oxidanyl)phenyl]-2-cyano-prop-2-enamide

L9Y

L9Y
Name:	4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid
Formula:	C22 H28 Cl2 O4
SMILES:	CCCCC1(C(c2c(C1)cc(c(c2Cl)Cl)OCCCC(=O)O)=O)C3CCCC3
InChi:	InChI=1S/C22H28Cl2O4/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(28-11-6-9-17(25)26)19(23)20(24)18(14)21(22)27/h12,15H,2-11,13H2,1H3,(H,25,26)/t22-/m0/s1
Definition date:	2019-02-15
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid

B2U

B2U
Name:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
Formula:	C20 H18 Cl N O6
SMILES:	c1ccccc1CC(C(O)=O)NC(=O)c3cc(Cl)c2CC(C)OC(c2c3O)=O
InChi:	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15-/m1/s1
Definition date:	2019-01-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine

B8X

B8X
Name:	2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol
Formula:	C25 H27 N O3 S
SMILES:	CCCc1ccc(cc1[CH]2C[CH]2c3ccccn3)c4ccc(cc4)[S](=O)(=O)CCO
InChi:	InChI=1S/C25H27NO3S/c1-2-5-19-7-8-20(18-9-11-21(12-10-18)30(28,29)15-14-27)16-22(19)23-17-24(23)25-6-3-4-13-26-25/h3-4,6-13,16,23-24,27H,2,5,14-15,17H2,1H3/t23-,24-/m1/s1
Definition date:	2019-01-24
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[4-propyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol

9AU

9AU
Name:	4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
Formula:	C24 H30 O3
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)c2ccccc2OC1=O
InChi:	InChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
Definition date:	2018-02-26
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one

9FO

9FO
Name:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol
Formula:	C40 H82 O21
SMILES:	OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChi:	InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
Definition date:	2018-04-09
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol

BXE

BXE
Name:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium
Formula:	C4 H9 N6 O
SMILES:	[NH3+]NC(=O)CCc1n[nH]nn1
InChi:	InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1
Definition date:	2017-10-27
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium

XAF

XAF
Name:	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol
Formula:	C23 H20 F N3 O3 S
SMILES:	Cc1cccc(n1)c2n[nH]cc2c3ccc(F)c(c3)c4ccc(cc4)[S](=O)(=O)CCO
InChi:	InChI=1S/C23H20FN3O3S/c1-15-3-2-4-22(26-15)23-20(14-25-27-23)17-7-10-21(24)19(13-17)16-5-8-18(9-6-16)31(29,30)12-11-28/h2-10,13-14,28H,11-12H2,1H3,(H,25,27)
Definition date:	2019-01-11
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol

F2K

F2K
Name:	(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Formula:	C14 H9 Cl N4 O3
SMILES:	NC1=C(C#N)[CH](c2ccc(Cl)cc2)C3=C(NC(=O)NC3=O)O1
InChi:	InChI=1S/C14H9ClN4O3/c15-7-3-1-6(2-4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)/t9-/m0/s1
Definition date:	2018-05-18
Last modified:	2019-02-22
Release date:	2019-02-27
Identifier:	(5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

MQ0

MQ0
Name:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile
Formula:	C24 H20 N4
SMILES:	N#Cc1nnc2ccccc2c1NCCC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27)
Definition date:	1999-07-28
Last modified:	2019-02-18
Identifier:	4-(3,3-diphenylpropylamino)cinnoline-3-carbonitrile

FG9

FG9
Name:	~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Formula:	C18 H22 N6 O
SMILES:	Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13
InChi:	InChI=1S/C18H22N6O/c19-16-15-2-4-20-11-13(15)10-14-12-22-18(23-17(14)16)21-3-1-5-24-6-8-25-9-7-24/h2,4,10-12H,1,3,5-9,19H2,(H,21,22,23)
Definition date:	2018-12-15
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine

FJQ

FJQ
Name:	Tioconazole
Formula:	C16 H13 Cl3 N2 O S
SMILES:	Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(Cl)c1
InChi:	InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2/t15-/m0/s1
Definition date:	2018-07-12
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-[(2~{R})-2-[(2-chloranylthiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole

FXQ

FXQ
Name:	1-(4-carbamimidamidobutyl)guanidine
Formula:	C6 H16 N6
SMILES:	NC(=N)NCCCCNC(N)=N
InChi:	InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
Definition date:	2018-08-13
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(4-carbamimidamidobutyl)guanidine

FXT

FXT
Name:	1-(5-carbamimidamidopentyl)guanidine
Formula:	C7 H18 N6
SMILES:	NC(=N)NCCCCCNC(N)=N
InChi:	InChI=1S/C7H18N6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2,(H4,8,9,12)(H4,10,11,13)
Definition date:	2018-08-14
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	1-(5-carbamimidamidopentyl)guanidine

G5B

G5B
Name:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Formula:	C20 H29 Cl2 N O3
SMILES:	CC1(C)[CH](Cl)[CH](Cl)C[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)CC[CH]12
InChi:	InChI=1S/C20H29Cl2NO3/c1-10-5-6-15-19(2,3)17(22)13(21)9-20(15,4)12(10)8-14(24)11-7-16(25)23-18(11)26/h11-15,17,24H,1,5-9H2,2-4H3,(H,23,25,26)/t11-,12+,13+,14+,15+,17-,20-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{S},4~{a}~{R},6~{S},7~{S},8~{a}~{R})-6,7-bis(chloranyl)-5,5,8~{a}-trimethyl-2-methylidene-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

G5W

G5W
Name:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
Formula:	C15 H17 N3 O3 S
SMILES:	COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O
InChi:	InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

G5Z

G5Z
Name:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
Formula:	C13 H14 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccnc2)c(n1)C(C)=O
InChi:	InChI=1S/C13H14N4O2S/c1-7(14)12(19)17-13-16-10(8(2)18)11(20-13)9-4-3-5-15-6-9/h3-7H,14H2,1-2H3,(H,16,17,19)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

G6B

G6B
Name:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide
Formula:	C14 H16 N4 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cccc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C14H16N4O2S/c1-7(15)13(20)18-14-17-11(8(2)19)12(21-14)9-4-3-5-10(16)6-9/h3-7H,15-16H2,1-2H3,(H,17,18,20)/t7-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide

G6E

G6E
Name:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide
Formula:	C13 H15 N5 O2 S
SMILES:	C[CH](N)C(=O)Nc1sc(c2cncc(N)c2)c(n1)C(C)=O
InChi:	InChI=1S/C13H15N5O2S/c1-6(14)12(20)18-13-17-10(7(2)19)11(21-13)8-3-9(15)5-16-4-8/h3-6H,14-15H2,1-2H3,(H,17,18,20)/t6-/m1/s1
Definition date:	2018-08-29
Last modified:	2019-02-15
Release date:	2019-02-20
Identifier:	(2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide

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