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55N
55N
Name:(2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
Formula:C10 H19 N O4
SMILES:N(C(C(C)C)CC(OC(C)=O)C(O)=O)C
InChi:InChI=1S/C10H19NO4/c1-6(2)8(11-4)5-9(10(13)14)15-7(3)12/h6,8-9,11H,5H2,1-4H3,(H,13,14)/t8-,9-/m1/s1
Definition date:2015-07-30
Last modified:2016-07-22
Release date:2016-07-27
Identifier:(2R,4R)-2-(acetyloxy)-5-methyl-4-(methylamino)hexanoic acid
MK4
MK4
Name:{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
Formula:C16 H11 Br3 Cl N O4
SMILES:Brc1cc(Br)cc(Br)c1CNC(=O)c2ccc(Cl)cc2OCC(=O)O
InChi:InChI=1S/C16H11Br3ClNO4/c17-8-3-12(18)11(13(19)4-8)6-21-16(24)10-2-1-9(20)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23)
Definition date:2015-01-14
Last modified:2016-07-22
Release date:2016-07-27
Identifier:{5-chloro-2-[(2,4,6-tribromobenzyl)carbamoyl]phenoxy}acetic acid
N4R
N4R
Name:NEXTURASTAT A
Formula:C19 H23 N3 O3
SMILES:CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2
InChi:InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
Definition date:2016-03-18
Last modified:2016-07-22
Release date:2016-07-27
Identifier:4-[[butyl(phenylcarbamoyl)amino]methyl]-N-oxidanyl-benzamide
6A9
6A9
Name:N-9'-methoxynonyl-1-deoxynojirimycin
Formula:C16 H33 N O5
SMILES:C(CCCCCN1CC(C(C(C1CO)O)O)O)CCCOC
InChi:InChI=1S/C16H33NO5/c1-22-10-8-6-4-2-3-5-7-9-17-11-14(19)16(21)15(20)13(17)12-18/h13-16,18-21H,2-12H2,1H3/t13-,14+,15-,16-/m1/s1
Definition date:2016-02-25
Last modified:2016-07-22
Release date:2016-07-27
Identifier:(2R,3R,4R,5S)-2-(hydroxymethyl)-1-(9-methoxynonyl)piperidine-3,4,5-triol
6DF
6DF
Name:[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
Formula:C16 H19 N2 O5 P
SMILES:C[CH](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)c2ccccc2
InChi:InChI=1S/C16H19N2O5P/c1-11(13-6-4-3-5-7-13)18-9-15-14(10-23-24(20,21)22)8-17-12(2)16(15)19/h3-9,11,19H,10H2,1-2H3,(H2,20,21,22)/b18-9+/t11-/m1/s1
Definition date:2016-03-18
Last modified:2016-07-22
Release date:2016-07-27
Identifier:[6-methyl-5-oxidanyl-4-[(~{E})-[(1~{R})-1-phenylethyl]iminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
6E7
6E7
Name:4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
Formula:C20 H17 N3 O3
SMILES:c1(cc(ccn1)C(NCCc2ccccc2)=O)c3nccc(C(=O)O)c3
InChi:InChI=1S/C20H17N3O3/c24-19(23-9-6-14-4-2-1-3-5-14)15-7-10-21-17(12-15)18-13-16(20(25)26)8-11-22-18/h1-5,7-8,10-13H,6,9H2,(H,23,24)(H,25,26)
Definition date:2016-03-21
Last modified:2016-07-22
Release date:2016-07-27
Identifier:4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid
6E8
6E8
Name:5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:C11 H12 N4 O
SMILES:c2nn1C(=O)C(C(C)C)=C(C)Nc1c2C#N
InChi:InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3
Definition date:2016-03-21
Last modified:2016-07-22
Release date:2016-07-27
Identifier:5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
6EB
6EB
Name:8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
Formula:C15 H14 F3 N5 O2
SMILES:c3(OCCCC(F)(F)F)nc(O)c2c(c(c1ncn(C)c1)ncc2)n3
InChi:InChI=1S/C15H14F3N5O2/c1-23-7-10(20-8-23)12-11-9(3-5-19-12)13(24)22-14(21-11)25-6-2-4-15(16,17)18/h3,5,7-8H,2,4,6H2,1H3,(H,21,22,24)
Definition date:2016-03-22
Last modified:2016-07-22
Release date:2016-07-27
Identifier:8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
6ED
6ED
Name:3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid
Formula:C20 H20 F3 N5 O2
SMILES:n3c(Nc1c(C(O)=O)ccnc1)c2c(ccc(c2)F)n3CCN4CCC(CC4)(F)F
InChi:InChI=1S/C20H20F3N5O2/c21-13-1-2-17-15(11-13)18(25-16-12-24-6-3-14(16)19(29)30)26-28(17)10-9-27-7-4-20(22,23)5-8-27/h1-3,6,11-12H,4-5,7-10H2,(H,25,26)(H,29,30)
Definition date:2016-03-22
Last modified:2016-07-22
Release date:2016-07-27
Identifier:3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid
6EN
6EN
Name:3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
Formula:C14 H12 N4 O2
SMILES:c13ncccc1c(Nc2c(C(O)=O)ccnc2)cn3C
InChi:InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)
Definition date:2016-03-23
Last modified:2016-07-22
Release date:2016-07-27
Identifier:3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid
6EO
6EO
Name:3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
Formula:C14 H11 Cl N2 O3
SMILES:c1c(ccc(c1)Cl)CC(Nc2cnccc2C(=O)O)=O
InChi:InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)
Definition date:2016-03-23
Last modified:2016-07-22
Release date:2016-07-27
Identifier:3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid
6EP
6EP
Name:2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
Formula:C17 H14 Cl N3 O3
SMILES:c2c(n(c1cc(ccn1)C(=O)O)nc2)OCc3ccc(Cl)cc3C
InChi:InChI=1S/C17H14ClN3O3/c1-11-8-14(18)3-2-13(11)10-24-16-5-7-20-21(16)15-9-12(17(22)23)4-6-19-15/h2-9H,10H2,1H3,(H,22,23)
Definition date:2016-03-23
Last modified:2016-07-22
Release date:2016-07-27
Identifier:2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
6JV
6JV
Name:N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Formula:C23 H28 N6 O4 S
SMILES:c14c(scc1C(=O)Nc2ccc(cc2OC)C(NCCCN3CCN(C)CC3)=O)C(=O)NC=N4
InChi:InChI=1S/C23H28N6O4S/c1-28-8-10-29(11-9-28)7-3-6-24-21(30)15-4-5-17(18(12-15)33-2)27-22(31)16-13-34-20-19(16)25-14-26-23(20)32/h4-5,12-14H,3,6-11H2,1-2H3,(H,24,30)(H,27,31)(H,25,26,32)
Definition date:2016-04-20
Last modified:2016-07-22
Release date:2016-07-27
Identifier:N-(2-methoxy-4-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
6KC
6KC
Name:N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Formula:C25 H23 N5 O3 S
SMILES:c15c(scc1C(=O)Nc2ccc(cc2c3ccccc3)C(N4CCN(C)CC4)=O)C(=O)NC=N5
InChi:InChI=1S/C25H23N5O3S/c1-29-9-11-30(12-10-29)25(33)17-7-8-20(18(13-17)16-5-3-2-4-6-16)28-23(31)19-14-34-22-21(19)26-15-27-24(22)32/h2-8,13-15H,9-12H2,1H3,(H,28,31)(H,26,27,32)
Definition date:2016-04-22
Last modified:2016-07-22
Release date:2016-07-27
Identifier:N-[5-(4-methylpiperazine-1-carbonyl)[1,1'-biphenyl]-2-yl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
6KD
6KD
Name:N-(2-isopropoxy-3-(4-methylpiperazine-1-carbonyl)phenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
Formula:C22 H25 N5 O4 S
SMILES:C1CN(C)CCN1C(=O)c4c(OC(C)C)c(NC(c3csc2C(=O)NC=Nc23)=O)ccc4
InChi:InChI=1S/C22H25N5O4S/c1-13(2)31-18-14(22(30)27-9-7-26(3)8-10-27)5-4-6-16(18)25-20(28)15-11-32-19-17(15)23-12-24-21(19)29/h4-6,11-13H,7-10H2,1-3H3,(H,25,28)(H,23,24,29)
Definition date:2016-04-22
Last modified:2016-07-22
Release date:2016-07-27
Identifier:N-{3-(4-methylpiperazine-1-carbonyl)-2-[(propan-2-yl)oxy]phenyl}-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidine-7-carboxamide
QUH
QUH
Name:[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
Formula:C20 H33 N3 O16 P2
SMILES:C[CH](O)CC(=O)N[CH]1[CH](O)[CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O
InChi:InChI=1S/C20H33N3O16P2/c1-8-6-23(20(30)22-18(8)29)14-5-11(25)12(37-14)7-35-40(31,32)39-41(33,34)38-19-17(28)15(16(27)10(3)36-19)21-13(26)4-9(2)24/h6,9-12,14-17,19,24-25,27-28H,4-5,7H2,1-3H3,(H,21,26)(H,31,32)(H,33,34)(H,22,29,30)/t9-,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1
Definition date:2016-07-18
Last modified:2016-07-22
Release date:2016-07-27
Identifier:[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate
6PF
6PF
Name:N-[6-(5-methanesulfonamido-6-methoxypyridin-3-yl)-1,3-dihydro-2-benzofuran-4-yl]-2-(morpholin-4-yl)acetamide
Formula:C21 H24 N4 O6 S
SMILES:COc1ncc(cc1N[S](C)(=O)=O)c2cc(NC(=O)CN3CCOCC3)c4cocc4c2
InChi:InChI=1S/C21H24N4O6S/c1-29-21-19(24-32(2,27)28)9-15(10-22-21)14-7-16-12-31-13-17(16)18(8-14)23-20(26)11-25-3-5-30-6-4-25/h7-10,12-13,24H,3-6,11H2,1-2H3,(H,23,26)
Definition date:2016-06-01
Last modified:2016-07-22
Release date:2016-07-27
Identifier:~{N}-[6-[6-methoxy-5-(methylsulfonylamino)pyridin-3-yl]-2-benzofuran-4-yl]-2-morpholin-4-yl-ethanamide
6QS
6QS
Name:[(2~{R})-oxolan-2-yl]methyl 4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate
Formula:C30 H32 N2 O4
SMILES:CCn1c2ccccc2c3cc(ccc13)[CH]4C(=C(C)NC5=C4C(=O)CCC5)C(=O)OC[CH]6CCCO6
InChi:InChI=1S/C30H32N2O4/c1-3-32-24-11-5-4-9-21(24)22-16-19(13-14-25(22)32)28-27(30(34)36-17-20-8-7-15-35-20)18(2)31-23-10-6-12-26(33)29(23)28/h4-5,9,11,13-14,16,20,28,31H,3,6-8,10,12,15,17H2,1-2H3/t20-,28+/m1/s1
Definition date:2016-05-25
Last modified:2016-07-22
Release date:2016-07-27
Identifier:[(2~{R})-oxolan-2-yl]methyl (4~{R})-4-(9-ethylcarbazol-3-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxylate
6RO
6RO
Name:~{N}-(4-chlorophenyl)methanesulfonamide
Formula:C7 H8 Cl N O2 S
SMILES:C[S](=O)(=O)Nc1ccc(Cl)cc1
InChi:InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
Definition date:2016-06-07
Last modified:2016-07-22
Release date:2016-07-27
Identifier:~{N}-(4-chlorophenyl)methanesulfonamide
6T0
6T0
Name:1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
Formula:C14 H16 N4
SMILES:CC(C)Cn1cnc2c(N)nc3ccccc3c12
InChi:InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
Definition date:2016-06-17
Last modified:2016-07-22
Release date:2016-07-27
Identifier:1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
6T4
6T4
Name:~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide
Formula:C6 H8 N2 O S
SMILES:CC(=O)Nc1scc(C)n1
InChi:InChI=1S/C6H8N2OS/c1-4-3-10-6(7-4)8-5(2)9/h3H,1-2H3,(H,7,8,9)
Definition date:2016-06-17
Last modified:2016-07-22
Release date:2016-07-27
Identifier:~{N}-(4-methyl-1,3-thiazol-2-yl)ethanamide
6T5
6T5
Name:6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one
Formula:C13 H16 N4 O
SMILES:CC(C)c1ccc(NC2=NC(=O)NN=C2C)cc1
InChi:InChI=1S/C13H16N4O/c1-8(2)10-4-6-11(7-5-10)14-12-9(3)16-17-13(18)15-12/h4-8H,1-3H3,(H2,14,15,17,18)
Definition date:2016-06-17
Last modified:2016-07-22
Release date:2016-07-27
Identifier:6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one
6T7
6T7
Name:3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
Formula:C12 H11 N3 O3
SMILES:OC(=O)CCN1N=C(C=CC1=O)c2cccnc2
InChi:InChI=1S/C12H11N3O3/c16-11-4-3-10(9-2-1-6-13-8-9)14-15(11)7-5-12(17)18/h1-4,6,8H,5,7H2,(H,17,18)
Definition date:2016-06-17
Last modified:2016-07-22
Release date:2016-07-27
Identifier:3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid
6U6
6U6
Name:3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
Formula:C10 H8 Cl N O2 S
SMILES:OC(=O)CCc1sc2ccc(Cl)cc2n1
InChi:InChI=1S/C10H8ClNO2S/c11-6-1-2-8-7(5-6)12-9(15-8)3-4-10(13)14/h1-2,5H,3-4H2,(H,13,14)
Definition date:2016-06-24
Last modified:2016-07-22
Release date:2016-07-27
Identifier:3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
E1Z
E1Z
Name:S-Trichostatin A
Formula:C17 H22 N2 O3
SMILES:C[CH](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C
InChi:InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m0/s1
Definition date:2016-03-18
Last modified:2016-07-22
Release date:2016-07-27
Identifier:(2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-N-oxidanyl-7-oxidanylidene-hepta-2,4-dienamide

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