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C5F

C5F
Name:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid
Formula:	C13 H14 Cl2 O3
SMILES:	C1(C(Cl)(C1)Cl)c2ccc(cc2)OC(C(=O)O)(C)C
InChi:	InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid

E0O

E0O
Name:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Formula:	C10 H11 Cl O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Definition date:	2019-09-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid

EA6

EA6
Name:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C14 H19 Cl F N5 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:	InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
Definition date:	2019-11-28
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

EWL

EWL
Name:	6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one
Formula:	C16 H19 N5 O2
SMILES:	CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
InChi:	InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one

EWR

EWR
Name:	(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
Formula:	C25 H29 N O4 S
SMILES:	CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
InChi:	InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

EWU

EWU
Name:	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one
Formula:	C15 H17 N5 O3
SMILES:	COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
InChi:	InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one

EWX

EWX
Name:	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one
Formula:	C14 H16 N6 O3
SMILES:	COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1
InChi:	InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one

EX0

EX0
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
Formula:	C26 H29 F N8 O
SMILES:	CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine

EX3

EX3
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
Formula:	C27 H30 F N7 O
SMILES:	CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine

F5A

F5A
Name:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
Formula:	C17 H15 Cl O4
SMILES:	C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O
InChi:	InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid

F80

F80
Name:	N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
Formula:	C19 H25 N5 O
SMILES:	CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
InChi:	InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24)
Definition date:	2020-04-08
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

FBX

FBX
Name:	ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate
Formula:	C16 H18 F N3 O2
SMILES:	CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
InChi:	InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
Synonyms:	Retigabine, Ezogabine
Definition date:	2020-04-27
Last modified:	2020-11-05
Release date:	2020-09-16
Identifier:	ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate

GB9

GB9
Name:	N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide
Formula:	C12 H8 Cl F N2 O
SMILES:	Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2
InChi:	InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17)
Synonyms:	ztz240
Definition date:	2020-08-17
Last modified:	2020-11-05
Release date:	2020-09-16
Identifier:	~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide

SWS

SWS
Name:	7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
Formula:	C21 H28 N4 O2
SMILES:	CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4
InChi:	InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17-
Definition date:	2020-03-13
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide

SL4

SL4
Name:	5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile
Formula:	C23 H20 F N3 O4 S
SMILES:	CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34
InChi:	InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1
Definition date:	2020-03-11
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile

VFG

VFG
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C5 H8 N4 O3 S2
SMILES:	CCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VFJ

VFJ
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-07
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide

VFM

VFM
Name:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C6 H10 N4 O3 S2
SMILES:	CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChi:	InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VGS

VGS
Name:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Formula:	C7 H12 N4 O3 S2
SMILES:	CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C
InChi:	InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

VGV

VGV
Name:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Formula:	C9 H14 N4 O3 S2
SMILES:	C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
InChi:	InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)
Definition date:	2020-08-10
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide

TUS

TUS
Name:	(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one
Formula:	C23 H29 N O5
SMILES:	C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C
InChi:	InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
Definition date:	2020-03-31
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one

V4A

V4A
Name:	Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine]
Formula:	C22 H16 N8 Pt
SMILES:	c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8
InChi:	InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11
Definition date:	2020-06-24
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+)

WFY

WFY
Name:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
Formula:	C15 H18 Cl F N4 O
SMILES:	Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F
InChi:	InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1
Definition date:	2020-10-27
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

TJG

TJG
Name:	7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
Formula:	C21 H27 N3 O2
SMILES:	c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4
InChi:	InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17-
Definition date:	2020-03-23
Last modified:	2020-10-30
Release date:	2020-11-04
Identifier:	7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

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