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QTJ

QTJ
Name:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C12 H9 Cl F N O3 S
SMILES:	NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O
InChi:	InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

QTM

QTM
Name:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
Formula:	C14 H14 Cl F N2 O3 S
SMILES:	NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F
InChi:	InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
Definition date:	2019-12-18
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide

G8F

G8F
Name:	3-methoxybenzenesulfonamide
Formula:	C7 H9 N O3 S
SMILES:	COc1cccc(c1)[S](N)(=O)=O
InChi:	InChI=1S/C7H9NO3S/c1-11-6-3-2-4-7(5-6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
Definition date:	2020-08-05
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	3-methoxybenzenesulfonamide

M9Z

M9Z
Name:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C24 H28 N8 O4 S
SMILES:	CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4
InChi:	InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MBK

MBK
Name:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

NVQ

NVQ
Name:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O)NC(=O)N1Cc3ccc(Br)cc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-24-13-6-14-25-20-19(27(2)33(31,32)18-7-4-3-5-8-18)21(29)26-22(30)28(20)15-16-9-11-17(23)12-10-16/h3-5,7-12,24-25H,6,13-15H2,1-2H3,(H,26,29,30)
Definition date:	2019-12-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

VBG

VBG
Name:	2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile
Formula:	C34 H30 F8 N4 O5 S
SMILES:	O=C(N5CCN(C(N4CCC(c2ccc(C(OCc1c(F)cccc1C#N)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c3ccc(cc3)F)C4)=O)CC5)C
InChi:	InChI=1S/C34H30F8N4O5S/c1-22(47)44-15-17-45(18-16-44)30(48)46-14-13-31(21-46,52(49,50)27-11-9-26(35)10-12-27)24-5-7-25(8-6-24)32(33(37,38)39,34(40,41)42)51-20-28-23(19-43)3-2-4-29(28)36/h2-12H,13-18,20-21H2,1H3/t31-/m0/s1
Definition date:	2020-07-22
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile

UP4

UP4
Name:	N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine
Formula:	C15 H19 Cl2 N O3
SMILES:	C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(C)C
InChi:	InChI=1S/C15H19Cl2NO3/c1-15(2,3)5-4-12(14(20)21)18-13(19)9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,19)(H,20,21)/t12-/m0/s1
Definition date:	2020-05-26
Last modified:	2020-08-07
Release date:	2020-08-12
Identifier:	N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine

P7S

P7S
Name:	N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
Formula:	C22 H29 Cl N4 O6
SMILES:	C2CN(C(C(C(C)(C)C)NC(c1ccc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O)C2
InChi:	InChI=1S/C22H29ClN4O6/c1-22(2,3)18(26-19(31)12-6-7-15(24)14(23)9-12)21(33)27-8-4-5-16(27)20(32)25-13(11-28)10-17(29)30/h6-7,9,11,13,16,18H,4-5,8,10,24H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t13-,16-,18+/m0/s1
Definition date:	2019-08-06
Last modified:	2020-07-31
Release date:	2020-08-05
Identifier:	N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide

SOJ

SOJ
Name:	~{N}4-phenylbenzene-1,4-diamine
Formula:	C12 H12 N2
SMILES:	Nc1ccc(Nc2ccccc2)cc1
InChi:	InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	~{N}4-phenylbenzene-1,4-diamine

SOV

SOV
Name:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
Formula:	C12 H8 N2 O2
SMILES:	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
InChi:	InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile

9NW

9NW
Name:	2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
Formula:	C16 H21 Cl2 N5 O2 S
SMILES:	Clc1ccc(Cl)c(c1)[S](=O)(=O)NCc2n[nH]nc2CNC3CCCCC3
InChi:	InChI=1S/C16H21Cl2N5O2S/c17-11-6-7-13(18)16(8-11)26(24,25)20-10-15-14(21-23-22-15)9-19-12-4-2-1-3-5-12/h6-8,12,19-20H,1-5,9-10H2,(H,21,22,23)
Definition date:	2017-06-13
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	2,5-bis(chloranyl)-~{N}-[[5-[(cyclohexylamino)methyl]-2~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide

KWW

KWW
Name:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide
Formula:	C19 H18 Cl2 N4 O
SMILES:	NCCn1cc(C(=O)NCc2ccccc2)c(n1)c3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C19H18Cl2N4O/c20-16-7-6-14(10-17(16)21)18-15(12-25(24-18)9-8-22)19(26)23-11-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11,22H2,(H,23,26)
Definition date:	2019-07-02
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide

604

604
Name:	2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e
Formula:	C19 H21 Br N2 O10 S
SMILES:	Cc1oc(cc1C(O)=O)[S](=O)(=O)NC[CH]2O[CH](O)[CH](NC(=O)c3cccc(Br)c3)[CH](O)[CH]2O
InChi:	InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19+/m1/s1
Synonyms:	5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid
Definition date:	2016-01-07
Last modified:	2020-07-17
Release date:	2016-03-30
Identifier:	5-[[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-m ethyl-furan-3-carboxylic acid

4V5

4V5
Name:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
Formula:	C15 H21 N O7
SMILES:	c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O
InChi:	InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1
Synonyms:	N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine
Definition date:	2015-06-04
Last modified:	2020-07-17
Release date:	2015-06-17
Identifier:	2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose

BO1

BO1
Name:	N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine
Formula:	C12 H18 N2 O7 S
SMILES:	O=S(=O)(N)c1ccc(cc1)NC2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H18N2O7S/c13-22(19,20)7-3-1-6(2-4-7)14-12-11(18)10(17)9(16)8(5-15)21-12/h1-4,8-12,14-18H,5H2,(H2,13,19,20)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE
Definition date:	2006-07-12
Last modified:	2020-07-17
Identifier:	N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine

8GP

8GP
Name:	N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C11 H18 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2
InChi:	InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1
Synonyms:	N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE
Definition date:	2006-01-25
Last modified:	2020-07-17
Identifier:	N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine

RYM

RYM
Name:	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
Formula:	C15 H11 N3
SMILES:	N#Cc1ccc(Cn2cnc3ccccc23)cc1
InChi:	InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2
Definition date:	2020-03-02
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile

U2J

U2J
Name:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16-/m0/s1
Definition date:	2020-04-09
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5S)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

U3Y

U3Y
Name:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide
Formula:	C23 H24 N10 O5 S
SMILES:	c1cc(ccc1c2nnnn2)C(=O)N4CC(CC4c3nc(cs3)C(NC)=O)NC(C5CC(=O)N(C(N5)=O)C)=O
InChi:	InChI=1S/C23H24N10O5S/c1-24-19(35)15-10-39-21(26-15)16-7-13(25-20(36)14-8-17(34)32(2)23(38)27-14)9-33(16)22(37)12-5-3-11(4-6-12)18-28-30-31-29-18/h3-6,10,13-14,16H,7-9H2,1-2H3,(H,24,35)(H,25,36)(H,27,38)(H,28,29,30,31)/t13-,14-,16+/m0/s1
Definition date:	2020-04-15
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	(4S)-1-methyl-N-{(3S,5R)-5-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-[4-(1H-tetrazol-5-yl)benzene-1-carbonyl]pyrrolidin-3-yl}-2,6-dioxohexahydropyrimidine-4-carboxamide

D6F

D6F
Name:	4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide
Formula:	C39 H39 N4
SMILES:	CC[n+]1ccc(cc1)c2ccc(cc2)N(c3ccc(cc3)c4cc[n+](CC)cc4)c5ccc(cc5)c6cc[n+](CC)cc6
InChi:	InChI=1S/C39H39N4/c1-4-40-25-19-34(20-26-40)31-7-13-37(14-8-31)43(38-15-9-32(10-16-38)35-21-27-41(5-2)28-22-35)39-17-11-33(12-18-39)36-23-29-42(6-3)30-24-36/h7-30H,4-6H2,1-3H3/q+3
Synonyms:	4-(1-ethylpyridin-1-ium-4-yl)-N,N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline
Definition date:	2019-07-11
Last modified:	2020-06-26
Release date:	2020-07-01
Identifier:	4-(1-ethylpyridin-1-ium-4-yl)-~{N},~{N}-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]aniline

UQD

UQD
Name:	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
Formula:	C18 H16 Cl N5 O
SMILES:	n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=N)cc3Cl
InChi:	InChI=1S/C18H16ClN5O/c1-10-2-4-11(5-3-10)15-16(25)18(23-9-22-15)24-14-7-6-12(17(20)21)8-13(14)19/h2-9,25H,1H3,(H3,20,21)(H,22,23,24)
Definition date:	2020-05-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

UQG

UQG
Name:	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
Formula:	C18 H17 N5 O
SMILES:	n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(cc3)/C(N)=N
InChi:	InChI=1S/C18H17N5O/c1-11-2-4-12(5-3-11)15-16(24)18(22-10-21-15)23-14-8-6-13(7-9-14)17(19)20/h2-10,24H,1H3,(H3,19,20)(H,21,22,23)
Definition date:	2020-05-27
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide

QXG

QXG
Name:	5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine
Formula:	C17 H20 N8 O7 S
SMILES:	n3(C1OC(C(O)C1O)CNS(NC(c2cccc(c2N)O)=O)(=O)=O)cnc4c(N)ncnc34
InChi:	InChI=1S/C17H20N8O7S/c18-10-7(2-1-3-8(10)26)16(29)24-33(30,31)23-4-9-12(27)13(28)17(32-9)25-6-22-11-14(19)20-5-21-15(11)25/h1-3,5-6,9,12-13,17,23,26-28H,4,18H2,(H,24,29)(H2,19,20,21)/t9-,12-,13-,17-/m1/s1
Definition date:	2020-01-13
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5'-{[(2-amino-3-hydroxybenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine

QXP

QXP
Name:	5'-{[(benzenecarbonyl)sulfamoyl]amino}-5'-deoxyadenosine
Formula:	C17 H20 N8 O6 S
SMILES:	C4(C(CNS(NC(c1c(cccc1)N)=O)(=O)=O)OC(n3cnc2c(ncnc23)N)C4O)O
InChi:	InChI=1S/C17H20N8O6S/c18-9-4-2-1-3-8(9)16(28)24-32(29,30)23-5-10-12(26)13(27)17(31-10)25-7-22-11-14(19)20-6-21-15(11)25/h1-4,6-7,10,12-13,17,23,26-27H,5,18H2,(H,24,28)(H2,19,20,21)/t10-,12-,13-,17-/m1/s1
Definition date:	2020-01-13
Last modified:	2020-06-19
Release date:	2020-06-24
Identifier:	5'-{[(2-aminobenzene-1-carbonyl)sulfamoyl]amino}-5'-deoxyadenosine

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