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DQZ

DQZ
Name:	3-(4-bromophenyl)propanoic acid
Formula:	C9 H9 Br O2
SMILES:	OC(=O)CCc1ccc(Br)cc1
InChi:	InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
Definition date:	2018-01-26
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-(4-bromophenyl)propanoic acid

DZT

DZT
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
Formula:	C30 H46 O3
SMILES:	CCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C30H46O3/c1-5-6-7-10-15-25(17-18-26-21-28(31)22-29(32)23(26)2)27-16-12-14-24(20-27)13-9-8-11-19-30(3,4)33/h12,14,16-18,20,28-29,31-33H,2,5-11,13,15,19,21-22H2,1,3-4H3/b25-17+,26-18-/t28-,29+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol

DZW

DZW
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
Formula:	C31 H48 O3
SMILES:	CCCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C31H48O3/c1-5-6-7-8-11-16-26(18-19-27-22-29(32)23-30(33)24(27)2)28-17-13-15-25(21-28)14-10-9-12-20-31(3,4)34/h13,15,17-19,21,29-30,32-34H,2,5-12,14,16,20,22-23H2,1,3-4H3/b26-18+,27-19-/t29-,30+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol

E05

E05
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
Formula:	C26 H38 O3
SMILES:	CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1
Definition date:	2018-02-07
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol

E0E

E0E
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
Formula:	C27 H40 O3
SMILES:	CCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C27H40O3/c1-5-10-22(14-15-23-18-25(28)19-26(29)20(23)2)24-13-9-12-21(17-24)11-7-6-8-16-27(3,4)30/h9,12-15,17,25-26,28-30H,2,5-8,10-11,16,18-19H2,1,3-4H3/b22-14+,23-15-/t25-,26+/m1/s1
Definition date:	2018-02-08
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol

E6Q

E6Q
Name:	3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:	C16 H10 N2 O
SMILES:	O=C1N=Cc2ccc3c([nH]cc3c4ccccc4)c12
InChi:	InChI=1S/C16H10N2O/c19-16-14-11(8-18-16)6-7-12-13(9-17-15(12)14)10-4-2-1-3-5-10/h1-9,17H
Definition date:	2018-02-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

E6T

E6T
Name:	3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:	C16 H10 N2 O2
SMILES:	Oc1cccc(c1)c2c[nH]c3c2ccc4C=NC(=O)c34
InChi:	InChI=1S/C16H10N2O2/c19-11-3-1-2-9(6-11)13-8-17-15-12(13)5-4-10-7-18-16(20)14(10)15/h1-8,17,19H
Definition date:	2018-02-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-(3-hydroxyphenyl)-1~{H}-pyrrolo[3,4-g]indol-8-one

E6W

E6W
Name:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:	C16 H9 Br N2 O
SMILES:	Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
InChi:	InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H
Definition date:	2018-02-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

EKN

EKN
Name:	(2~{S})-2-(2-azanylethylamino)butanedioic acid
Formula:	C6 H12 N2 O4
SMILES:	NCCN[CH](CC(O)=O)C(O)=O
InChi:	InChI=1S/C6H12N2O4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
Definition date:	2018-03-26
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-2-(2-azanylethylamino)butanedioic acid

EKQ

EKQ
Name:	(2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid
Formula:	C10 H16 N2 O8
SMILES:	OC(=O)C[CH](NCCN[CH](CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
Definition date:	2018-03-26
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-2-[2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]amino]ethylamino]butanedioic acid

EZA

EZA
Name:	N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
Formula:	C39 H52 F2 N6 O8
SMILES:	C(Cc1cc(F)cc(c1)F)(C(=O)NC2C(N5C(C(N4C(C(NC(C(N3C(C(OC2)=O)CC(C3)C)=O)C)=O)CCCC4)=O)CCC5)=O)NC(C=[C@H]CCCC)=O
InChi:	InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/b13-7+/t23-,24-,28+,29+,30+,31+,32+/m1/s1
Definition date:	2018-02-15
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide

F5J

F5J
Name:	7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C17 H18 N4 O4
SMILES:	c2cc1c(ncnc1n2C4C(C(O)C(C(c3ccccc3)O)O4)O)N
InChi:	InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
Definition date:	2018-02-28
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

FYV

FYV
Name:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
Formula:	C11 H8 N4
SMILES:	c1cc(ccn1)c2n3c(nc2)cccn3
InChi:	InChI=1S/C11H8N4/c1-2-11-13-8-10(15(11)14-5-1)9-3-6-12-7-4-9/h1-8H
Definition date:	2018-04-26
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-(pyridin-4-yl)imidazo[1,2-b]pyridazine

FZJ

FZJ
Name:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
Formula:	C13 H13 N5 O2
SMILES:	c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C
InChi:	InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16)
Definition date:	2018-04-30
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

N45

N45
Name:	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
Formula:	C17 H20 N6 O2
SMILES:	O=C3C1=C(C)C=C(C(N1C2(CCCCC2)N3)=O)Nc4ncnc(c4)N
InChi:	InChI=1S/C17H20N6O2/c1-10-7-11(21-13-8-12(18)19-9-20-13)16(25)23-14(10)15(24)22-17(23)5-3-2-4-6-17/h7-9H,2-6H2,1H3,(H,22,24)(H3,18,19,20,21)
Definition date:	2018-03-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6'-[(6-aminopyrimidin-4-yl)amino]-8'-methyl-2'H-spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

9GH

9GH
Name:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
Formula:	C16 H16 I N3 O3 S
SMILES:	CCN(CC)c1sc2c(n1)c(C(O)=O)c(O)c(I)c2n3cccc3
InChi:	InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-(diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid

9GK

9GK
Name:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid
Formula:	C19 H16 I N O4
SMILES:	OC(=O)c1cc(OCCc2ccccc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C19H16INO4/c20-16-17(21-9-4-5-10-21)15(12-14(18(16)22)19(23)24)25-11-8-13-6-2-1-3-7-13/h1-7,9-10,12,22H,8,11H2,(H,23,24)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-(2-phenylethoxy)-4-pyrrol-1-yl-benzoic acid

9GN

9GN
Name:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O3 S
SMILES:	CCCSc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO3S/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propylsulfanyl-4-pyrrol-1-yl-benzoic acid

9GQ

9GQ
Name:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C15 H16 I N O4
SMILES:	CCCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C15H16INO4/c1-2-3-8-21-11-9-10(15(19)20)14(18)12(16)13(11)17-6-4-5-7-17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-butoxy-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9GT

9GT
Name:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H12 I N O4
SMILES:	OC(=O)c1cc(OCC=C)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C14H12INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h2-6,8,17H,1,7H2,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-prop-2-enoxy-4-pyrrol-1-yl-benzoic acid

9GW

9GW
Name:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid
Formula:	C14 H14 I N O4
SMILES:	CCCOc1cc(C(O)=O)c(O)c(I)c1n2cccc2
InChi:	InChI=1S/C14H14INO4/c1-2-7-20-10-8-9(14(18)19)13(17)11(15)12(10)16-5-3-4-6-16/h3-6,8,17H,2,7H2,1H3,(H,18,19)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3-iodanyl-2-oxidanyl-5-propoxy-4-pyrrol-1-yl-benzoic acid

9GZ

9GZ
Name:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid
Formula:	C17 H11 F I N O3
SMILES:	OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O
InChi:	InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23)
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid

9H2

9H2
Name:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol
Formula:	C11 H9 I2 N O2
SMILES:	OCc1cc(I)c(n2cccc2)c(I)c1O
InChi:	InChI=1S/C11H9I2NO2/c12-8-5-7(6-15)11(16)9(13)10(8)14-3-1-2-4-14/h1-5,15-16H,6H2
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	6-(hydroxymethyl)-2,4-bis(iodanyl)-3-pyrrol-1-yl-phenol

9H5

9H5
Name:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone
Formula:	C16 H17 I2 N3 O2
SMILES:	CN1CCN(CC1)C(=O)c2cc(I)c(n3cccc3)c(I)c2O
InChi:	InChI=1S/C16H17I2N3O2/c1-19-6-8-21(9-7-19)16(23)11-10-12(17)14(13(18)15(11)22)20-4-2-3-5-20/h2-5,10,22H,6-9H2,1H3
Definition date:	2017-05-18
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	[3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-phenyl]-(4-methylpiperazin-1-yl)methanone

9K4

9K4
Name:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
Formula:	C32 H52 F3 N5 O9
SMILES:	C(Cc1c(cc(c(F)c1)F)F)(N)CC(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(C)=O)CC2
InChi:	InChI=1S/C32H52F3N5O9/c1-25(41)37-2-8-44-10-12-46-14-16-48-18-19-49-17-15-47-13-11-45-9-3-38-31(42)24-39-4-6-40(7-5-39)32(43)22-27(36)20-26-21-29(34)30(35)23-28(26)33/h21,23,27H,2-20,22,24,36H2,1H3,(H,37,41)(H,38,42)/t27-/m1/s1
Definition date:	2017-05-17
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide

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