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IPY

IPY
Name:	IMIDAZOLE-PYRROLE POLYAMIDE
Formula:	C31 H42 N11 O5
SMILES:	O=C(Nc3cc(C(=O)Nc2cc(C(=O)Nc1cc(C(=O)NCCC(=O)NCCC[NH+](C)C)n(c1)C)n(c2)C)n(c3)C)c4nccn4C
InChi:	InChI=1S/C31H41N11O5/c1-38(2)12-7-9-32-26(43)8-10-34-28(44)23-14-20(17-40(23)4)35-29(45)24-15-21(18-41(24)5)36-30(46)25-16-22(19-42(25)6)37-31(47)27-33-11-13-39(27)3/h11,13-19H,7-10,12H2,1-6H3,(H,32,43)(H,34,44)(H,35,45)(H,36,46)(H,37,47)/p+1
Synonyms:	IMIDAZOLE-PYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N,N-dimethyl-3-({N-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1H-imidazol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]amino}-1H-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)propan-1-aminium

IPZ

IPZ
Name:	2-ISOPROPYL-3-METHOXYPYRAZINE
Formula:	C8 H12 N2 O
SMILES:	O(c1nccnc1C(C)C)C
InChi:	InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
Synonyms:	2-METHOXY-3-ISOPROPYLPYRAZINE
Definition date:	2003-09-16
Last modified:	2021-03-01
Identifier:	2-methoxy-3-(1-methylethyl)pyrazine

IQB

IQB
Name:	N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE
Formula:	C20 H20 Br N3 O2 S
SMILES:	Brc1ccc(cc1)C=CCNCCNS(=O)(=O)c2cccc3c2ccnc3
InChi:	InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
Synonyms:	H-89
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide

IS3

IS3
Name:	Isopentenyl Diphosphate Beta-S
Formula:	C5 H14 O6 P2 S
SMILES:	O=P(O)(OP(=O)(OCCC(C)C)O)S
InChi:	InChI=1S/C5H14O6P2S/c1-5(2)3-4-10-12(6,7)11-13(8,9)14/h5H,3-4H2,1-2H3,(H,6,7)(H2,8,9,14)
Synonyms:	O-(3-methylbutyl) trihydrogen thiodiphosphate
Definition date:	2009-10-21
Last modified:	2021-03-01
Identifier:	O-(3-methylbutyl) trihydrogen thiodiphosphate

ISC

ISC
Name:	(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid
Formula:	C10 H10 O6
SMILES:	O=C(O)C1=CC=CC(O/C(C(=O)O)=C)C1O
InChi:	InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
Synonyms:	ISOCHORISMIC ACID
Definition date:	2003-01-15
Last modified:	2021-03-01
Identifier:	(5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid

ISY

ISY
Name:	3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid
Formula:	C5 H12 O6 P2 S
SMILES:	O=P(O)(OP(=O)(O)SCCC(=C)C)O
InChi:	InChI=1S/C5H12O6P2S/c1-5(2)3-4-14-13(9,10)11-12(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
Synonyms:	Isopentyl S-Thiolodiphosphate
Definition date:	2010-11-08
Last modified:	2021-03-01
Identifier:	S-(3-methylbut-3-en-1-yl) trihydrogen thiodiphosphate

ITQ

ITQ
Name:	1,2,3,4-Tetrahydrogen Staurosporine
Formula:	C28 H28 N4 O3
SMILES:	O=C4N=Cc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8
InChi:	InChI=1S/C28H28N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,13,17,20,26,29H,4,6,8,10,12H2,1-3H3/t17-,20-,26-,28+/m1/s1
Synonyms:	Staurosporine Analogue - AFN941
Definition date:	2013-03-14
Last modified:	2021-03-01
Release date:	2013-03-27
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13-octahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

7NA

7NA
Name:	2-hydroxy-7-methoxy-5-methyl naphthoic acid
Formula:	C13 H12 O4
SMILES:	O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C
InChi:	InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16)
Synonyms:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid
Definition date:	2009-07-10
Last modified:	2021-03-01
Identifier:	2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid

7PD

7PD
Name:	2-aminopteridine-4,7(3H,8H)-dione
Formula:	C6 H5 N5 O2
SMILES:	C2=NC=1C(=O)NC(=NC=1NC2=O)N
InChi:	InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
Synonyms:	isoxanthopterin
Definition date:	2016-11-28
Last modified:	2021-03-01
Release date:	2020-12-16
Identifier:	2-aminopteridine-4,7(3H,8H)-dione

7PE

7PE
Name:	2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL
Formula:	C14 H30 O7
SMILES:	O(CCOCC)CCOCCOCCOCCOCCO
InChi:	InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3
Synonyms:	POLYETHYLENE GLYCOL FRAGMENT
Definition date:	2005-12-28
Last modified:	2021-03-01
Identifier:	3,6,9,12,15,18-hexaoxaicosan-1-ol

7PH

7PH
Name:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate
Formula:	C29 H57 O8 P
SMILES:	O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O
InChi:	InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
Synonyms:	PHOSPHATIDIC ACID
Definition date:	2008-04-28
Last modified:	2021-03-01
Identifier:	(1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate

7S1

7S1
Name:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine
Formula:	C19 H17 N5
SMILES:	C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3
InChi:	InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1
Synonyms:	antagonist A804598
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-04
Identifier:	N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine

7S4

7S4
Name:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide
Formula:	C26 H30 N6 O3
SMILES:	c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1
Synonyms:	antagonist A740003
Definition date:	2016-12-02
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide

7VJ

7VJ
Name:	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one
Formula:	C5 H7 N5 O2
SMILES:	N(=O)C1=C(N=C(N)NC1=O)NC
InChi:	InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11)
Synonyms:	6-METHYLAMINO-5-NITROSOISOCYTOSINE
Definition date:	2016-12-08
Last modified:	2021-03-01
Release date:	2017-12-06
Identifier:	2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one

7WB

7WB
Name:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole
Formula:	C11 H8 N2 S1
SMILES:	N1C=CSC1=C2C=Nc3ccccc23
InChi:	InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+
Synonyms:	Camalexin
Definition date:	2015-06-15
Last modified:	2021-03-01
Release date:	2016-06-29
Identifier:	(2Z)-2-indol-3-ylidene-3H-1,3-thiazole

7Z1

7Z1
Name:	(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone
Formula:	C29 H29 F N4 O2
SMILES:	CCOc1ccc(F)c(c1)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5
InChi:	InChI=1S/C29H29FN4O2/c1-2-36-22-11-13-25(30)24(18-22)27(33-21-10-12-23-20(17-21)14-15-32-28(23)31)29(35)34-16-6-9-26(34)19-7-4-3-5-8-19/h3-5,7-8,10-15,17-18,26-27,33H,2,6,9,16H2,1H3,(H2,31,32)/t26-,27-/m1/s1
Synonyms:	2-[(1-aminoisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluorophenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
Definition date:	2016-12-13
Last modified:	2021-03-01
Release date:	2017-06-21
Identifier:	(2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(5-ethoxy-2-fluoranyl-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone

7ZR

7ZR
Name:	3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
Formula:	C17 H15 N3 O6 S2
SMILES:	COc1ccc(cc1OC)[S](=O)(=O)Nc2scc(n2)c3cccc(c3)[N+]([O-])=O
InChi:	InChI=1S/C17H15N3O6S2/c1-25-15-7-6-13(9-16(15)26-2)28(23,24)19-17-18-14(10-27-17)11-4-3-5-12(8-11)20(21)22/h3-10H,1-2H3,(H,18,19)
Synonyms:	Ro 61-8048
Definition date:	2017-02-23
Last modified:	2021-03-01
Release date:	2017-12-27
Identifier:	3,4-dimethoxy-~{N}-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

801

801
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE
Formula:	C13 H11 N5 O
SMILES:	[O-]c3cccnc3c2nc1cc(ccc1n2)C(=[NH2+])N
InChi:	InChI=1S/C13H11N5O/c14-12(15)7-3-4-8-9(6-7)18-13(17-8)11-10(19)2-1-5-16-11/h1-6,19H,(H3,14,15)(H,17,18)
Synonyms:	CRA_1801
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}pyridin-3-olate

802

802
Name:	2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-4-FLUOROBENZENOLATE
Formula:	C14 H11 F N4 O
SMILES:	Fc3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])cc3
InChi:	InChI=1S/C14H11FN4O/c15-8-2-4-12(20)9(6-8)14-18-10-3-1-7(13(16)17)5-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
Synonyms:	CRA_1802
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorophenolate

804

804
Name:	6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole
Formula:	C28 H27 N5
SMILES:	N6=C(c1cc5c(cc1)cc(c4ccc(c3ccc(C2=NCCCN2)cc3)cc4)n5)NCCC6
InChi:	InChI=1S/C28H27N5/c1-13-29-27(30-14-1)22-9-5-20(6-10-22)19-3-7-21(8-4-19)25-17-23-11-12-24(18-26(23)33-25)28-31-15-2-16-32-28/h3-12,17-18,33H,1-2,13-16H2,(H,29,30)(H,31,32)
Synonyms:	DB1804
Definition date:	2011-09-29
Last modified:	2021-03-01
Release date:	2012-09-07
Identifier:	6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole

I41

I41
Name:	2-[[2-[[(2S)-3-(3H-IMIDAZOL-4-YL)-1-METHOXY-1-OXO-PROPAN-2-YL]AMINO]-2-OXO-ETHYL]-(PHENYLMETHYL)AMINO]ETHANOIC ACID
Formula:	C18 H22 N4 O5
SMILES:	COC(=O)[CH](Cc1[nH]cnc1)NC(=O)CN(CC(O)=O)Cc2ccccc2
InChi:	InChI=1S/C18H22N4O5/c1-27-18(26)15(7-14-8-19-12-20-14)21-16(23)10-22(11-17(24)25)9-13-5-3-2-4-6-13/h2-6,8,12,15H,7,9-11H2,1H3,(H,19,20)(H,21,23)(H,24,25)/t15-/m0/s1
Synonyms:	COMPOUND 41367
Definition date:	2011-02-28
Last modified:	2021-03-01
Identifier:	2-[[2-[[(2S)-3-(3H-imidazol-4-yl)-1-methoxy-1-oxo-propan-2-yl]amino]-2-oxo-ethyl]-(phenylmethyl)amino]ethanoic acid

I52

I52
Name:	N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-SULFAMOYL]-4-PENTYL-BENZAMIDE
Formula:	C29 H42 N4 O6 S
SMILES:	O=C(c1ccc(cc1)CCCCC)Nc2ccc(cc2)S(=O)(=O)N(CCN3CCOCC3)C(C(=O)NO)C(C)C
InChi:	InChI=1S/C29H42N4O6S/c1-4-5-6-7-23-8-10-24(11-9-23)28(34)30-25-12-14-26(15-13-25)40(37,38)33(27(22(2)3)29(35)31-36)17-16-32-18-20-39-21-19-32/h8-15,22,27,36H,4-7,16-21H2,1-3H3,(H,30,34)(H,31,35)/t27-/m1/s1
Synonyms:	SC-74020
Definition date:	2000-12-19
Last modified:	2021-03-01
Identifier:	N-(4-{[(1R)-1-(hydroxycarbamoyl)-2-methylpropyl](2-morpholin-4-ylethyl)sulfamoyl}phenyl)-4-pentylbenzamide

I5I

I5I
Name:	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
Formula:	C12 H9 N3 O S
SMILES:	S=C=Nc3cc1c(oc(c1)C2=NCCN2)cc3
InChi:	InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14)
Synonyms:	2-(imidazolin-2-yl)-5-isothiocyanatobenzofuran
Definition date:	2010-12-21
Last modified:	2021-03-01
Identifier:	2-(5-isothiocyanato-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

I83

I83
Name:	bis(chloranyl)-(dimethylamino)-(methylamino)platinum
Formula:	C3 H10 Cl2 N2 Pt
SMILES:	Cl[Pt](Cl)(NC)N(C)C
InChi:	InChI=1S/C2H6N.CH4N.2ClH.Pt/c1-3-2
Synonyms:	trans-dimethylamine methylamine dichlorido platinum(II)
Definition date:	2014-06-09
Last modified:	2021-03-01
Release date:	2014-07-30
Identifier:	platinum(4+) chloride dimethylazanide methylazanide (1:2:1:1)

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

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