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950

950
Name:	2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
Formula:	C18 H19 F N4 O2
SMILES:	[O-]c3c(OCC(C)C)cccc3c2nc1cc(c(F)cc1n2)C(=[NH2+])N
InChi:	InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
Synonyms:	CRA_10950
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate

D19

D19
Name:	2,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURAN
Formula:	C24 H28 N4 O
SMILES:	o1c(ccc1c2ccc(cc2)C(N)NC3CC3)c4ccc(cc4)C(N)NC5CC5
InChi:	InChI=1S/C24H28N4O/c25-23(27-19-9-10-19)17-5-1-15(2-6-17)21-13-14-22(29-21)16-3-7-18(8-4-16)24(26)28-20-11-12-20/h1-8,13-14,19-20,23-24,27-28H,9-12,25-26H2/t23-,24+
Synonyms:	FURAMIDINE DERIVATIVE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis(N-cyclopropylmethanediamine)

G90

G90
Name:	2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile
Formula:	C22 H25 N3 O2
SMILES:	N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2
InChi:	InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1
Synonyms:	BUCINDOLOL
Definition date:	2012-03-11
Last modified:	2021-03-01
Identifier:	2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile

GBJ

GBJ
Name:	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol
Formula:	C20 H20 O4
SMILES:	O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C
InChi:	InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
Synonyms:	glabridin
Definition date:	2013-10-24
Last modified:	2021-03-01
Release date:	2014-02-19
Identifier:	4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol

DL5

DL5
Name:	Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate
Formula:	C17 H19 N8 O18 P3
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O
InChi:	InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1
Synonyms:	TNP-AMPPCP
Definition date:	2015-06-03
Last modified:	2021-03-01
Release date:	2016-04-13
Identifier:	(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide

DMZ

DMZ
Name:	4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE
Formula:	C17 H17 N3 O2 S
SMILES:	O=S(=O)(c1ccc(cc1)C)N(c3ccnn3c2ccccc2)C
InChi:	InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
Synonyms:	DIMETHYLSULFAPHENAZOLE
Definition date:	2002-11-22
Last modified:	2021-03-01
Identifier:	N,4-dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

DOL

DOL
Name:	5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE
Formula:	C34 H50 N4 O9 S
SMILES:	O=S(=O)(CCN(CC)CC)C3CCN2C(=O)c1nc(oc1)CC(=O)CC(O)C=C(C=CCNC(=O)C=CC(C)C(OC(=O)C23)C(C)C)C
InChi:	InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1
Synonyms:	DALFOPRISTIN
Definition date:	2002-09-26
Last modified:	2021-03-01
Identifier:	(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone

GCZ

GCZ
Name:	N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide
Formula:	C15 H21 N3 O3 S
SMILES:	O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3ccc(cc3)C
InChi:	InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)/t12-,13+
Synonyms:	gliclazide
Definition date:	2015-04-30
Last modified:	2021-03-01
Release date:	2015-11-25
Identifier:	N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide

GMN

GMN
Name:	2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM]
Formula:	C30 H60 N3 O3
SMILES:	O(c1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC
InChi:	InChI=1S/C30H60N3O3/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9/h19-21H,10-18,22-27H2,1-9H3/q+3
Synonyms:	GALLAMINE
Definition date:	2002-12-11
Last modified:	2021-03-01
Identifier:	2,2',2''-[benzene-1,2,3-triyltris(oxy)]tris(N,N,N-triethylethanaminium)

GY7

GY7
Name:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:	C24 H22 F2 N4 O4
SMILES:	c4(F)c(C(N3CCCC3C1=NC(=C(O)C(N1)=O)C(=O)NCCc2ccccc2)=O)c(ccc4)F
InChi:	InChI=1S/C24H22F2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Synonyms:	SRI-29731
Definition date:	2017-07-11
Last modified:	2021-03-01
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(2,6-difluorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

AES

AES
Name:	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE
Formula:	C8 H10 F N O2 S
SMILES:	O=S(F)(=O)c1ccc(cc1)CCN
InChi:	InChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
Synonyms:	AEBSF
Definition date:	2005-09-27
Last modified:	2021-03-01
Identifier:	4-(2-aminoethyl)benzenesulfonyl fluoride

AF9

AF9
Name:	5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide
Formula:	C14 H19 N5 O4 S
SMILES:	COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1[S](N)(=O)=O
InChi:	InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
Synonyms:	AF-219
Definition date:	2017-12-05
Last modified:	2021-03-01
Release date:	2018-04-04
Identifier:	5-[2,4-bis(azanyl)pyrimidin-5-yl]oxy-2-methoxy-4-propan-2-yl-benzenesulfonamide

ALE

ALE
Name:	L-EPINEPHRINE
Formula:	C9 H13 N O3
SMILES:	Oc1ccc(cc1O)C(O)CNC
InChi:	InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3/t9-/m0/s1
Synonyms:	ADRENALINE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol

2OY

2OY
Name:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form)
Formula:	C14 H23 Cl N2 O3 S
SMILES:	O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C
InChi:	InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1
Synonyms:	Tosyllysine Chloromethyl Ketone (Bound Form)
Definition date:	2013-12-19
Last modified:	2021-03-01
Release date:	2014-04-23
Identifier:	N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide

HS3

HS3
Name:	(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-oxo-propanamide
Formula:	C10 H12 N2 O6 S
SMILES:	O=NC(=O)C(NS(=O)(=O)c1ccc(OC)cc1)CO
InChi:	InChI=1S/C10H12N2O6S/c1-18-7-2-4-8(5-3-7)19(16,17)12-9(6-13)10(14)11-15/h2-5,9,12-13H,6H2,1H3/t9-/m1/s1
Synonyms:	(R)-N-(3-hydroxy-1-nitroso-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
Definition date:	2008-11-04
Last modified:	2021-03-01
Identifier:	N~2~-[(4-methoxyphenyl)sulfonyl]-N-oxo-D-serinamide

HS5

HS5
Name:	2-[(4-fluorophenyl)sulfonyl-(2-hydroxyethyl)amino]-N-oxo-ethanamide
Formula:	C10 H11 F N2 O5 S
SMILES:	O=S(=O)(c1ccc(F)cc1)N(CC(=O)N=O)CCO
InChi:	InChI=1S/C10H11FN2O5S/c11-8-1-3-9(4-2-8)19(17,18)13(5-6-14)7-10(15)12-16/h1-4,14H,5-7H2
Synonyms:	4-fluoro-N-(2-hydroxyethyl)-N-(2-nitroso-2-oxoethyl)benzenesulfonamide
Definition date:	2008-11-04
Last modified:	2021-03-01
Identifier:	N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-(2-hydroxyethyl)-N-oxoglycinamide

FTE

FTE
Name:	phenylisothiocyanate
Formula:	C7 H5 N S
SMILES:	S=C=Nc1ccccc1
InChi:	InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
Synonyms:	isothiocyanatobenzene
Definition date:	2011-02-01
Last modified:	2021-03-01
Identifier:	isothiocyanatobenzene

FYP

FYP
Name:	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Formula:	C15 H14 F N3 O3
SMILES:	CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O
InChi:	InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
Synonyms:	Flumazenil
Definition date:	2018-04-25
Last modified:	2021-03-01
Release date:	2018-06-27
Identifier:	ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

F18

F18
Name:	4-[(E)-(3,5-DIAMINO-1H-PYRAZOL-4-YL)DIAZENYL]PHENOL
Formula:	C9 H10 N6 O
SMILES:	N(=Nc1c(nnc1N)N)c2ccc(O)cc2
InChi:	InChI=1S/C9H10N6O/c10-8-7(9(11)15-14-8)13-12-5-1-3-6(16)4-2-5/h1-4,16H,(H5,10,11,14,15)/b13-12-
Synonyms:	CAN508
Definition date:	2006-05-02
Last modified:	2021-03-01
Identifier:	4-[(Z)-(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol

F5R

F5R
Name:	4-bromanylbenzenecarboximidamide
Formula:	C7 H7 Br N2
SMILES:	NC(=N)c1ccc(Br)cc1
InChi:	InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
Synonyms:	4-Bromobenzamidine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	4-bromanylbenzenecarboximidamide

I84

I84
Name:	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
Formula:	C19 H22 N2 O5 S
SMILES:	O=C(Nc1cc(c(c(c1)C)S(=O)(=O)NCC(=O)O)C)Cc2ccccc2C
InChi:	InChI=1S/C19H22N2O5S/c1-12-6-4-5-7-15(12)10-17(22)21-16-8-13(2)19(14(3)9-16)27(25,26)20-11-18(23)24/h4-9,20H,10-11H2,1-3H3,(H,21,22)(H,23,24)
Synonyms:	INHIBITOR IDD 384
Definition date:	2000-03-21
Last modified:	2021-03-01
Identifier:	N-[(2,6-dimethyl-4-{[(2-methylphenyl)acetyl]amino}phenyl)sulfonyl]glycine

4FZ

4FZ
Name:	4-formylbenzenecarboximidamide
Formula:	C8 H8 N2 O
SMILES:	NC(=N)c1ccc(C=O)cc1
InChi:	InChI=1S/C8H8N2O/c9-8(10)7-3-1-6(5-11)2-4-7/h1-5H,(H3,9,10)
Synonyms:	4-formylbenzimidamide
Definition date:	2009-11-19
Last modified:	2021-03-01
Identifier:	4-methanoylbenzenecarboximidamide

IGN

IGN
Name:	{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
Formula:	C21 H38 N6 O4
SMILES:	O=C(N1C(C(=O)NCCCNC(=[N@H])N)CCCC1)C(NCC(=O)O)CC2CCCCC2
InChi:	InChI=1S/C21H38N6O4/c22-21(23)25-11-6-10-24-19(30)17-9-4-5-12-27(17)20(31)16(26-14-18(28)29)13-15-7-2-1-3-8-15/h15-17,26H,1-14H2,(H,24,30)(H,28,29)(H4,22,23,25)/t16-,17+/m1/s1
Synonyms:	INOGATRAN (ASTRA-ZENECA)
Definition date:	2001-10-23
Last modified:	2021-03-01
Identifier:	N-[(1R)-2-{(2S)-2-[(3-carbamimidamidopropyl)carbamoyl]piperidin-1-yl}-1-(cyclohexylmethyl)-2-oxoethyl]glycine

DB7

DB7
Name:	dibutyl benzene-1,2-dicarboxylate
Formula:	C16 H22 O4
SMILES:	O=C(OCCCC)c1ccccc1C(=O)OCCCC
InChi:	InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
Synonyms:	Dibutyl phthalate
Definition date:	2012-08-02
Last modified:	2021-03-01
Release date:	2012-11-02
Identifier:	dibutyl benzene-1,2-dicarboxylate

DGB

DGB
Name:	(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide
Formula:	C24 H29 N3 O2
SMILES:	O=C(/C=C/c1cccnc1)NCCCCC2CCN(CC2)C(=O)c3ccccc3
InChi:	InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+
Synonyms:	FK-866
Definition date:	2006-03-09
Last modified:	2021-03-01
Identifier:	(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide

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