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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

F5U

F5U
Name:	2-(5-methoxy-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2 O
SMILES:	COc1ccc2[nH]cc(CCN)c2c1
InChi:	InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:	5-Methoxytryptamine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	2-(5-methoxy-1~{H}-indol-3-yl)ethanamine

F5X

F5X
Name:	2-(6-methoxy-1H-indol-3-yl)ethanamine
Formula:	C11 H14 N2 O
SMILES:	COc1ccc2c(CCN)c[nH]c2c1
InChi:	InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
Synonyms:	6-Methoxytryptamine
Definition date:	2020-04-01
Last modified:	2021-03-01
Release date:	2020-08-26
Identifier:	2-(6-methoxy-1~{H}-indol-3-yl)ethanamine

F77

F77
Name:	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-2-METHYLBENZOIC ACID
Formula:	C16 H16 F N O4 S
SMILES:	O=S(=O)(Nc1ccc(c(c1C(=O)O)C)CC)c2ccc(F)cc2
InChi:	InChI=1S/C16H16FNO4S/c1-3-11-4-9-14(15(10(11)2)16(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h4-9,18H,3H2,1-2H3,(H,19,20)
Synonyms:	3-ETHYL-6-(4-FLUORO-BENZENESULFONYLAMINO)-2-METHYL-BENZOIC ACID
Definition date:	2007-02-06
Last modified:	2021-03-01
Identifier:	3-ethyl-6-{[(4-fluorophenyl)sulfonyl]amino}-2-methylbenzoic acid

F89

F89
Name:	S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID
Formula:	C27 H24 N4 O6
SMILES:	O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O
InChi:	InChI=1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1
Synonyms:	FOLATE ANALOG 1843U89
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(2S)-2-(5-{[(3-methyl-1-oxo-1,2-dihydrobenzo[f]quinazolin-9-yl)methyl]amino}-1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanedioic acid

815

815
Name:	THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE
Formula:	C21 H19 N5 O3 S2
SMILES:	O=C3N(Cc2cc1c(nccc1cc2)N)CCC3NS(=O)(=O)c5sc4cccnc4c5
InChi:	InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1
Synonyms:	RPR208815
Definition date:	2000-05-22
Last modified:	2021-03-01
Identifier:	N-{(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl}thieno[3,2-b]pyridine-2-sulfonamide

QB5

QB5
Name:	N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide
Formula:	C21 H22 N4 O3
SMILES:	CC(=O)Nc1ccc(cc1OCc2ccccc2)C(=O)NCCc3c[nH]cn3
InChi:	InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26)
Synonyms:	4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide
Definition date:	2020-06-01
Last modified:	2021-03-01
Release date:	2020-07-29
Identifier:	4-acetamido-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-3-phenylmethoxy-benzamide

81Y

81Y
Name:	3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole
Formula:	C19 H22 N4 O2
SMILES:	CC(C)Oc1cc2c(cc1)nnc2c3ccnc(c3)N4CCOCC4
InChi:	InChI=1S/C19H22N4O2/c1-13(2)25-15-3-4-17-16(12-15)19(22-21-17)14-5-6-20-18(11-14)23-7-9-24-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
Synonyms:	MLi-2
Definition date:	2016-12-15
Last modified:	2021-03-01
Release date:	2017-03-15
Identifier:	3-[2-(morpholin-4-yl)pyridin-4-yl]-5-[(propan-2-yl)oxy]-1H-indazole

82R

82R
Name:	(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
Formula:	C27 H44 O4
SMILES:	C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](O)CC[C]6(C)[CH]5C[CH](O)[C]4(C)[CH]3[CH]2C
InChi:	InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,23-,24+,25+,26-,27-/m1/s1
Synonyms:	rockogenin
Definition date:	2017-03-28
Last modified:	2021-03-01
Release date:	2017-06-07
Identifier:	(1~{R},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},10~{R},12~{S},13~{S},16~{S},18~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol

QDN

QDN
Name:	Quinidine
Formula:	C20 H24 N2 O2
SMILES:	O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C
InChi:	InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1
Synonyms:	(9S)-6'-methoxycinchonan-9-ol
Definition date:	2014-10-15
Last modified:	2021-03-01
Release date:	2015-01-14
Identifier:	(9S)-6'-methoxycinchonan-9-ol

QDO

QDO
Name:	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide
Formula:	C10 H8 Br2 N2 O2
SMILES:	[O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr
InChi:	InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
Synonyms:	conoidin A
Definition date:	2013-05-31
Last modified:	2021-03-01
Release date:	2013-07-31
Identifier:	2,3-bis(bromomethyl)quinoxaline 1,4-dioxide

843

843
Name:	N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
Formula:	C30 H34 N3 O7 P
SMILES:	O=P(O)(O)Oc1ccc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:	InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
Synonyms:	RU81843
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-O-phosphono-L-tyrosinamide

QEI

QEI
Name:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C12 H15 N5 O3
SMILES:	O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O
InChi:	InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1
Synonyms:	queuine
Definition date:	2007-12-13
Last modified:	2021-03-01
Identifier:	2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

852

852
Name:	2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID
Formula:	C34 H35 N3 O9
SMILES:	O=C(O)C(C(=O)O)c1c(C(=O)O)cc(cc1)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4
InChi:	InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
Synonyms:	RU85052
Definition date:	2003-06-20
Last modified:	2021-03-01
Identifier:	{4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxopropyl]-2-carboxyphenyl}propanedioic acid

85X

85X
Name:	12-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
Formula:	C24 H18 N4 O
SMILES:	Cn1c2ccccc2c3c1c4n(CCC#N)c5ccccc5c4c6CNC(=O)c36
InChi:	InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
Synonyms:	Go 6976
Definition date:	2017-04-21
Last modified:	2021-03-01
Release date:	2017-10-11

881

881
Name:	N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide
Formula:	C38 H40 N8 O3
SMILES:	n1ccccc1/C(=N/c7ccc(c5oc(c4c(OC2CCNCC2)cc(N=C(c3ncccc3)N)cc4)cc5)c(OC6CCNCC6)c7)N
InChi:	InChI=1S/C38H40N8O3/c39-37(31-5-1-3-17-43-31)45-25-7-9-29(35(23-25)47-27-13-19-41-20-14-27)33-11-12-34(49-33)30-10-8-26(46-38(40)32-6-2-4-18-44-32)24-36(30)48-28-15-21-42-22-16-28/h1-12,17-18,23-24,27-28,41-42H,13-16,19-22H2,(H2,39,45)(H2,40,46)
Synonyms:	DB1880
Definition date:	2010-08-24
Last modified:	2021-03-01
Identifier:	N',N''-{furan-2,5-diylbis[3-(piperidin-4-yloxy)benzene-4,1-diyl]}dipyridine-2-carboximidamide

QKM

QKM
Name:	4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile
Formula:	C22 H17 F2 N5 O S
SMILES:	CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4
InChi:	InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
Synonyms:	Isavuconazole
Definition date:	2019-11-07
Last modified:	2021-03-01
Release date:	2020-10-21
Identifier:	4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile

8BD

8BD
Name:	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid
Formula:	C11 H13 N O4
SMILES:	O=C(O)CCON=C/c1ccccc1OC
InChi:	InChI=1S/C11H13NO4/c1-15-10-5-3-2-4-9(10)8-12-16-7-6-11(13)14/h2-5,8H,6-7H2,1H3,(H,13,14)/b12-8-
Synonyms:	(E)-3-(2-methoxybenzylideneaminooxy)propanoic acid
Definition date:	2009-04-06
Last modified:	2021-03-01
Identifier:	3-({[(1Z)-(2-methoxyphenyl)methylidene]amino}oxy)propanoic acid

8CM

8CM
Name:	8-HYDROXYCOUMARIN
Formula:	C9 H6 O3
SMILES:	O=C2Oc1c(O)cccc1C=C2
InChi:	InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H
Synonyms:	8-HYDROXY-2H-CHROMENE-2-ONE
Definition date:	2006-06-12
Last modified:	2021-03-01
Identifier:	8-hydroxy-2H-chromen-2-one

3M5

3M5
Name:	3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide
Formula:	C14 H23 N O4
SMILES:	O=C1OCCC1NC(=O)CC(=O)CCCCCCC
InChi:	InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h12H,2-10H2,1H3,(H,15,17)/t12-/m0/s1
Synonyms:	N-(3-Oxodecanoyl)-L-homoserine lactone
Definition date:	2014-09-22
Last modified:	2021-03-01
Release date:	2015-02-25
Identifier:	3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide

QO4

QO4
Name:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one
Formula:	C20 H23 F6 N7 O3
SMILES:	C(CC(=O)N1CCN(CC1)c2ncc(C(F)(F)F)cn2)OCC(C)NC3=C(C(=O)NN=C3)C(F)(F)F
InChi:	InChI=1S/C20H23F6N7O3/c1-12(30-14-10-29-31-17(35)16(14)20(24,25)26)11-36-7-2-15(34)32-3-5-33(6-4-32)18-27-8-13(9-28-18)19(21,22)23/h8-10,12H,2-7,11H2,1H3,(H2,30,31,35)/t12-/m0/s1
Synonyms:	RBN-2397
Definition date:	2019-11-27
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one

3ML

3ML
Name:	[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Formula:	C7 H8 O4
SMILES:	O=C1OC(C(=C1)C)CC(=O)O
InChi:	InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)/t5-/m0/s1
Synonyms:	3-methylmuconolactone
Definition date:	2009-05-14
Last modified:	2021-03-01
Identifier:	[(2S)-3-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid

QP8

QP8
Name:	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Formula:	C19 H25 N5 O3
SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)c2cc(nnc2N)c3ccccc3O
InChi:	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
Synonyms:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Definition date:	2020-07-15
Last modified:	2021-03-01
Release date:	2020-10-07
Identifier:	~{tert}-butyl 4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate

HMY

HMY
Name:	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione
Formula:	C19 H22 O8
SMILES:	O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(O)C3O)C
InChi:	InChI=1S/C19H22O8/c1-9-4-3-5-12(20)17(23)14(22)8-15-18(27-15)11-6-10(25-2)7-13(21)16(11)19(24)26-9/h3,5-7,9,14-15,17-18,21-23H,4,8H2,1-2H3/t9-,14-,15+,17+,18+/m0/s1
Synonyms:	Hypothemycin
Definition date:	2008-02-19
Last modified:	2021-03-01
Identifier:	(1aR,8S,10Z,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione

3O1

3O1
Name:	tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate
Formula:	C15 H24 N2 O5 S
SMILES:	O=S(=O)(N)c1ccc(OCCCCNC(=O)OC(C)(C)C)cc1
InChi:	InChI=1S/C15H24N2O5S/c1-15(2,3)22-14(18)17-10-4-5-11-21-12-6-8-13(9-7-12)23(16,19)20/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H2,16,19,20)
Synonyms:	tert-butyl 6-(4-sulfamoylphenoxy)hexylcarbamate
Definition date:	2014-09-26
Last modified:	2021-03-01
Release date:	2015-04-15
Identifier:	tert-butyl [4-(4-sulfamoylphenoxy)butyl]carbamate

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