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G9F

G9F
Name:	2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
Formula:	C21 H24 N4 O2
SMILES:	CN(C)CCCOc1ccc(cc1)c2nc3cccc4C(=O)NCCn2c34
InChi:	InChI=1S/C21H24N4O2/c1-24(2)12-4-14-27-16-9-7-15(8-10-16)20-23-18-6-3-5-17-19(18)25(20)13-11-22-21(17)26/h3,5-10H,4,11-14H2,1-2H3,(H,22,26)
Synonyms:	1-[4-(3-Dimethylamino-propoxy)-phenyl]-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6
Definition date:	2009-11-03
Last modified:	2020-06-17

G9H

G9H
Name:	2-[(dimethylamino)methyl]-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
Formula:	C13 H16 N4 O
SMILES:	CN(C)Cc1nc2cccc3C(=O)NCCn1c23
InChi:	InChI=1S/C13H16N4O/c1-16(2)8-11-15-10-5-3-4-9-12(10)17(11)7-6-14-13(9)18/h3-5H,6-8H2,1-2H3,(H,14,18)
Synonyms:	1-Dimethylaminomethyl-8,9-dihydro-7H-2,7,9a-triaza-benzo[cd]azulen-6-one
Definition date:	2009-11-03
Last modified:	2020-06-17

5ID

5ID
Name:	(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
Formula:	C11 H13 I N4 O4
SMILES:	Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
InChi:	InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
Synonyms:	5-IODOTUBERCIDIN
Definition date:	2005-10-16
Last modified:	2020-06-17
Identifier:	5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

G9P

G9P
Name:	(11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid
Formula:	C15 H11 N O5 S
SMILES:	O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34
InChi:	InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1
Synonyms:	1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid
Definition date:	2009-11-03
Last modified:	2020-06-17

5IQ

5IQ
Name:	ISOQUINOLIN-5-AMINE
Formula:	C9 H8 N2
SMILES:	n2ccc1c(cccc1N)c2
InChi:	InChI=1S/C9H8N2/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,10H2
Synonyms:	5-AMINOISOQUINOLINE
Definition date:	2005-11-18
Last modified:	2020-06-17
Identifier:	isoquinolin-5-amine

GA0

GA0
Name:	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE
Formula:	C20 H24 N4 O3
SMILES:	O=C(Nc2cc1ccccc1cc2)C3N(C(=O)C(NC(=O)CN)C)CCC3
InChi:	InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1
Synonyms:	GLYCYL-ALANYL-PROLINE-BETA-NAPHTHYLAMIDE
Definition date:	2006-01-16
Last modified:	2020-06-17
Identifier:	glycyl-L-alanyl-N-naphthalen-2-yl-L-prolinamide

GA3

GA3
Name:	GIBBERELLIN A3
Formula:	C19 H22 O6
SMILES:	O=C(O)C5C21CC(O)(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)C=C3)C45
InChi:	InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1
Synonyms:	(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epo xymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Definition date:	2008-09-04
Last modified:	2020-06-17
Identifier:	(1S,2S,4aR,4bR,7S,9aS,10S,10aR)-2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid

GAB

GAB
Name:	3-AMINOBENZOIC ACID
Formula:	C7 H7 N O2
SMILES:	O=C(O)c1cc(N)ccc1
InChi:	InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
Synonyms:	GABACULINE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3-aminobenzoic acid

5J6

5J6
Name:	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate
Formula:	C20 H18 Br F N4 O3 S
SMILES:	Fc1cc(Br)c(cc1)c3nc(c2sccn2)nc(c3C(OC)=O)CN4CCOCC4
InChi:	InChI=1S/C20H18BrFN4O3S/c1-28-20(27)16-15(11-26-5-7-29-8-6-26)24-18(19-23-4-9-30-19)25-17(16)13-3-2-12(22)10-14(13)21/h2-4,9-10H,5-8,11H2,1H3
Synonyms:	NVR10-001E2
Definition date:	2015-09-29
Last modified:	2020-06-17
Release date:	2015-12-09
Identifier:	methyl 4-(2-bromo-4-fluorophenyl)-6-(morpholin-4-ylmethyl)-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxylate

5JK

5JK
Name:	7alpha-hydroxycholesterol
Formula:	C27 H46 O2
SMILES:	CC34CCC2C1(CCC(O)CC1=CC(C2C3CCC4C(C)CCCC(C)C)O)C
InChi:	InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
Synonyms:	(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol
Definition date:	2015-10-02
Last modified:	2020-06-17
Release date:	2016-04-13
Identifier:	(3beta,7alpha,9beta,14beta)-cholest-5-ene-3,7-diol

5JO

5JO
Name:	2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)
Formula:	C13 H16 N5 O7 P
SMILES:	O(CC1C(O)C(OCC#C)C(O1)n2c3c(nc2)c(N)ncn3)P(O)(O)=O
InChi:	InChI=1S/C13H16N5O7P/c1-2-3-23-10-9(19)7(4-24-26(20,21)22)25-13(10)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19H,3-4H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,13-/m1/s1
Synonyms:	2'-Propargyl-Adenosine
Definition date:	2015-10-02
Last modified:	2020-06-17
Release date:	2015-12-02
Identifier:	2'-O-prop-2-yn-1-yladenosine 5'-(dihydrogen phosphate)

5KY

5KY
Name:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
Formula:	C16 H14 F3 N3 O3
SMILES:	c1(c(cc(cc1)C)NC(=O)Nc2ccc(C(F)(F)F)cc2N)C(O)=O
InChi:	InChI=1S/C16H14F3N3O3/c1-8-2-4-10(14(23)24)13(6-8)22-15(25)21-12-5-3-9(7-11(12)20)16(17,18)19/h2-7H,20H2,1H3,(H,23,24)(H2,21,22,25)
Synonyms:	BF174
Definition date:	2015-10-15
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid

5L8

5L8
Name:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
Formula:	C14 H15 Cl2 N3 O
SMILES:	O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3
InChi:	InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m1/s1
Synonyms:	R-desthio-prothioconazole
Definition date:	2015-10-19
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	(2~{R})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

7Z3

7Z3
Name:	1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE
Formula:	C11 H16 N2
SMILES:	c1ccc(cc1CN)N2CCCC2
InChi:	InChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2
Synonyms:	CC38513
Definition date:	2011-12-08
Last modified:	2020-06-17
Identifier:	1-[3-(pyrrolidin-1-yl)phenyl]methanamine

5LN

5LN
Name:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium
Formula:	C2 H8 Cl O4 Ru
SMILES:	OC[Ru](O)(O)(Cl)CO
InChi:	InChI=1S/2CH3O.ClH.2H2O.Ru/c2*1-2
Synonyms:	Ru(CO)2Cl(OH2)2
Definition date:	2015-10-20
Last modified:	2020-06-17
Release date:	2016-10-26
Identifier:	chloranyl-bis(hydroxymethyl)-bis(oxidanyl)ruthenium

5LU

5LU
Name:	Prochloraz
Formula:	C15 H16 Cl3 N3 O2
SMILES:	CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
InChi:	InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
Synonyms:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	~{N}-propyl-~{N}-[2-[2,4,6-tris(chloranyl)phenoxy]ethyl]imidazole-1-carboxamide

5LW

5LW
Name:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19+/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{S},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

5LX

5LX
Name:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
Formula:	C19 H17 Cl2 N3 O3
SMILES:	C[CH]1CO[C](Cn2cncn2)(O1)c3ccc(Oc4ccc(Cl)cc4)cc3Cl
InChi:	InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3/t13-,19-/m0/s1
Synonyms:	Difenoconazole
Definition date:	2015-10-21
Last modified:	2020-06-17
Release date:	2016-02-10
Identifier:	1-[[(2~{R},4~{S})-2-[2-chloranyl-4-(4-chloranylphenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

7ZU

7ZU
Name:	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
Formula:	C28 H44 O3
SMILES:	C[CH](C=C[CH](C)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C
InChi:	InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1
Synonyms:	1,25-dihydroxyvitamin D2
Definition date:	2017-02-28
Last modified:	2020-06-17
Release date:	2017-05-10
Identifier:	(1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(~{E},2~{R},5~{S})-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

7ZV

7ZV
Name:	5-hydroxydiclofenac
Formula:	C14 H11 Cl2 N O3
SMILES:	OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl
InChi:	InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)
Synonyms:	2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid
Definition date:	2016-12-13
Last modified:	2020-06-17
Release date:	2017-02-08
Identifier:	2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid

5MD

5MD
Name:	2'-deoxy-1-methyl-pseudouridine
Formula:	C10 H14 N2 O5
SMILES:	O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C
InChi:	InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Synonyms:	5-METHYL-2'-DEOXYPSEUDOURIDINE
Definition date:	2000-07-26
Last modified:	2020-06-17
Identifier:	(1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol

803

803
Name:	LOVASTATIN
Formula:	C24 H36 O5
SMILES:	O=C(OC1C3C(=CC(C)C1)C=CC(C3CCC2OC(=O)CC(O)C2)C)C(C)CC
InChi:	InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
Synonyms:	MK-803
Definition date:	1999-08-11
Last modified:	2020-06-17
Identifier:	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate

806

806
Name:	7-[[2-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-9H-CARBOZOL-9-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
Formula:	C31 H31 N5 O
SMILES:	[N@H]=C(N6CCC(Oc3ccc2c1ccccc1n(c2c3)Cc5cc4cc(C(=[N@H])N)ccc4cc5)CC6)C
InChi:	InChI=1S/C31H31N5O/c1-20(32)35-14-12-25(13-15-35)37-26-10-11-28-27-4-2-3-5-29(27)36(30(28)18-26)19-21-6-7-22-8-9-23(31(33)34)17-24(22)16-21/h2-11,16-18,25,32H,12-15,19H2,1H3,(H3,33,34)/b32-20-
Synonyms:	ZK-806450
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	7-{[2-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-9H-carbazol-9-yl]methyl}naphthalene-2-carboximidamide

808

808
Name:	N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Formula:	C18 H20 F3 N O3 S
SMILES:	FC(F)(F)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3
InChi:	InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1
Synonyms:	(S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
Definition date:	2010-11-23
Last modified:	2020-06-17
Identifier:	N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

5N7

5N7
Name:	(13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide
Formula:	C42 H56 N10 O6 S
SMILES:	NC(=N)c1ccc(CNC(=O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CCC(=O)Nc5ccc(C[CH](N[S](=O)(=O)NC6CCCCC6)C(=O)N2)cc5)cc3)cc1
InChi:	InChI=1S/C42H56N10O6S/c43-40(44)32-12-6-31(7-13-32)28-45-41(55)36-26-29-8-14-33(15-9-29)46-38(53)18-20-51-22-24-52(25-23-51)21-19-39(54)47-34-16-10-30(11-17-34)27-37(42(56)48-36)50-59(57,58)49-35-4-2-1-3-5-35/h6-17,35-37,49-50H,1-5,18-28H2,(H3,43,44)(H,45,55)(H,46,53)(H,47,54)(H,48,56)/t36-,37+/m0/s1
Synonyms:	MI-133
Definition date:	2015-10-27
Last modified:	2020-06-17
Release date:	2016-07-13

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