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4JH
4JH
Name:1-(3-bromophenyl)methanamine
Formula:C7 H8 Br N
SMILES:c1(cccc(c1)Br)CN
InChi:InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:1-(3-bromophenyl)methanamine
4JJ
4JJ
Name:4-chlorobenzene-1,2-diamine
Formula:C6 H7 Cl N2
SMILES:c1cc(Cl)cc(c1N)N
InChi:InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:4-chlorobenzene-1,2-diamine
4JL
4JL
Name:(4-chlorophenyl)methanol
Formula:C7 H7 Cl O
SMILES:Clc1ccc(cc1)CO
InChi:InChI=1S/C7H7ClO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:(4-chlorophenyl)methanol
4JM
4JM
Name:4-(methylsulfanyl)aniline
Formula:C7 H9 N S
SMILES:c1(SC)ccc(cc1)N
InChi:InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:4-(methylsulfanyl)aniline
4JN
4JN
Name:6-bromopyridin-3-amine
Formula:C5 H5 Br N2
SMILES:c1c(ncc(c1)N)Br
InChi:InChI=1S/C5H5BrN2/c6-5-2-1-4(7)3-8-5/h1-3H,7H2
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:6-bromopyridin-3-amine
4JO
4JO
Name:5-bromo-6-methylpyridin-2-amine
Formula:C6 H7 Br N2
SMILES:Brc1ccc(nc1C)N
InChi:InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:5-bromo-6-methylpyridin-2-amine
4JQ
4JQ
Name:6-amino-2H-chromen-2-one
Formula:C9 H7 N O2
SMILES:c1c(cc2c(c1)OC(C=C2)=O)N
InChi:InChI=1S/C9H7NO2/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H,10H2
Definition date:2015-03-23
Last modified:2015-08-07
Release date:2015-08-12
Identifier:6-amino-2H-chromen-2-one
4PX
4PX
Name:3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
Formula:C19 H18 N4 O3
SMILES:n3c2N(c1ccccc1)C(=O)C=4N(C(CO)(C)C)C(=O)NC=4c2ccc3
InChi:InChI=1S/C19H18N4O3/c1-19(2,11-24)23-15-14(21-18(23)26)13-9-6-10-20-16(13)22(17(15)25)12-7-4-3-5-8-12/h3-10,24H,11H2,1-2H3,(H,21,26)
Definition date:2015-05-06
Last modified:2015-08-07
Release date:2015-08-12
Identifier:3-(1-hydroxy-2-methylpropan-2-yl)-5-phenyl-3,5-dihydro-1H-imidazo[4,5-c][1,8]naphthyridine-2,4-dione
4Q0
4Q0
Name:2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione
Formula:C28 H25 N3 O5
SMILES:c1c5c(ccc1)C(=O)N(c2ccc(cc2)OC)C(CCN4C(=O)c3cccc(c3C4=O)OC(C)C)=N5
InChi:InChI=1S/C28H25N3O5/c1-17(2)36-23-10-6-8-21-25(23)28(34)30(26(21)32)16-15-24-29-22-9-5-4-7-20(22)27(33)31(24)18-11-13-19(35-3)14-12-18/h4-14,17H,15-16H2,1-3H3
Definition date:2015-05-06
Last modified:2015-08-07
Release date:2015-08-12
Identifier:2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-4-(propan-2-yloxy)-1H-isoindole-1,3(2H)-dione
D7N
D7N
Name:2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
Formula:C20 H24 F3 N3 O2
SMILES:NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C4CCC(F)(F)CC4)C(=O)c12
InChi:InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
Definition date:2015-04-15
Last modified:2015-08-07
Release date:2015-08-12
Identifier:2-[1-[4,4-bis(fluoranyl)cyclohexyl]piperidin-4-yl]-6-fluoranyl-3-oxidanylidene-1H-isoindole-4-carboxamide
XOJ
XOJ
Name:1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
Formula:C27 H39 N7 O3
SMILES:CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3
InChi:InChI=1S/C27H39N7O3/c1-8-34(9-2)12-10-11-28-25-29-17-19-15-22(18-13-20(36-6)16-21(14-18)37-7)24(30-23(19)31-25)32-26(35)33-27(3,4)5/h13-17H,8-12H2,1-7H3,(H3,28,29,30,31,32,33,35)
Definition date:2015-06-08
Last modified:2015-07-31
Release date:2015-08-05
Identifier:1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
RFM
RFM
Name:N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
Formula:C26 H21 N5 O2 S
SMILES:O=C(N(Cc1cscc1)c3ccc(NC(=O)c2ccccc2)cc3)Cn5c4c(cccc4)nn5
InChi:InChI=1S/C26H21N5O2S/c32-25(17-31-24-9-5-4-8-23(24)28-29-31)30(16-19-14-15-34-18-19)22-12-10-21(11-13-22)27-26(33)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,27,33)
Definition date:2015-03-15
Last modified:2015-07-31
Release date:2015-08-05
Identifier:N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}benzamide
3RL
3RL
Name:Pterostilbene
Formula:C16 H16 O3
SMILES:O(c1cc(cc(OC)c1)C=Cc2ccc(O)cc2)C
InChi:InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
Definition date:2014-10-15
Last modified:2015-07-31
Release date:2015-08-05
Identifier:4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol
3VT
3VT
Name:[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
Formula:C15 H15 B N2 O5
SMILES:O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C
InChi:InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1
Definition date:2014-11-19
Last modified:2015-07-31
Release date:2015-08-05
Identifier:[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid
3VU
3VU
Name:{(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
Formula:C13 H14 B N3 O5 S
SMILES:O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C
InChi:InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1
Definition date:2014-11-19
Last modified:2015-07-31
Release date:2015-08-05
Identifier:{(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid
C0A
C0A
Name:3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide
Formula:C12 H16 Br F2 N2 O6 P S
SMILES:Brc1cc(ccc1C(F)(F)P(=O)(O)O)CC(C(=O)NC)NS(=O)(=O)C
InChi:InChI=1S/C12H16BrF2N2O6PS/c1-16-11(18)10(17-25(2,22)23)6-7-3-4-8(9(13)5-7)12(14,15)24(19,20)21/h3-5,10,17H,6H2,1-2H3,(H,16,18)(H2,19,20,21)/t10-/m0/s1
Definition date:2015-02-09
Last modified:2015-07-31
Release date:2015-08-05
Identifier:3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide
3DJ
3DJ
Name:(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Formula:C10 H12 N2 O4
SMILES:O=C(O)C(N)CC(=O)c1cccc(O)c1N
InChi:InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)/t6-/m0/s1
Definition date:2014-07-29
Last modified:2015-07-31
Release date:2015-08-05
Identifier:(2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
43R
43R
Name:N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
Formula:C14 H16 N4 O2 S
SMILES:O=C(Nc1nc3c(s1)CN(c2cc(OC)cnc2)CC3)C
InChi:InChI=1S/C14H16N4O2S/c1-9(19)16-14-17-12-3-4-18(8-13(12)21-14)10-5-11(20-2)7-15-6-10/h5-7H,3-4,8H2,1-2H3,(H,16,17,19)
Definition date:2015-02-02
Last modified:2015-07-31
Release date:2015-08-05
Identifier:N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
4SN
4SN
Name:(6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol
Formula:C19 H32 N2 O14 S2
SMILES:C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(C)=O)COC(C)=O)S(=O)(=O)NCCCCCOS(=O)(=O)N
InChi:InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16+,17+,18+,19-/m0/s1
Definition date:2015-05-21
Last modified:2015-07-31
Release date:2015-08-05
Identifier:(6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol
4TX
4TX
Name:5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Formula:C15 H22 O3
SMILES:c1c(OCCCC(C(=O)O)(C)C)c(ccc1C)C
InChi:InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
Definition date:2015-05-27
Last modified:2015-07-31
Release date:2015-08-05
Identifier:5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
4VC
4VC
Name:1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
Formula:C13 H12 Cl N3 O
SMILES:c1(Cl)ccccc1NC(NCc2cnccc2)=O
InChi:InChI=1S/C13H12ClN3O/c14-11-5-1-2-6-12(11)17-13(18)16-9-10-4-3-7-15-8-10/h1-8H,9H2,(H2,16,17,18)
Definition date:2015-06-05
Last modified:2015-07-31
Release date:2015-08-05
Identifier:1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea
4VE
4VE
Name:N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
Formula:C24 H20 F N5 O2
SMILES:CC(Nc1oc2c(n1)cc(cc2)F)c5ccc(C)c(NC(=O)c4n3c(cccc3)nc4)c5
InChi:InChI=1S/C24H20FN5O2/c1-14-6-7-16(15(2)27-24-29-19-12-17(25)8-9-21(19)32-24)11-18(14)28-23(31)20-13-26-22-5-3-4-10-30(20)22/h3-13,15H,1-2H3,(H,27,29)(H,28,31)/t15-/m0/s1
Definition date:2015-06-05
Last modified:2015-07-31
Release date:2015-08-05
Identifier:N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
4WA
4WA
Name:4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide
Formula:C12 H12 N4 O2 S
SMILES:O=S(=O)(N)c1ccc(cc1)N=Nc2ccc(N)cc2
InChi:InChI=1S/C12H12N4O2S/c13-9-1-3-10(4-2-9)15-16-11-5-7-12(8-6-11)19(14,17)18/h1-8H,13H2,(H2,14,17,18)/b16-15+
Definition date:2015-06-11
Last modified:2015-07-31
Release date:2015-08-05
Identifier:4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide
52M
52M
Name:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
Formula:C21 H13 N O6 S
SMILES:SC(=O)Nc1cc(C(O)=O)c(cc1)C3=C2C=CC(C=C2Oc4c3ccc(c4)O)=O
InChi:InChI=1S/C21H13NO6S/c23-11-2-5-14-17(8-11)28-18-9-12(24)3-6-15(18)19(14)13-4-1-10(22-21(27)29)7-16(13)20(25)26/h1-9,23H,(H,25,26)(H2,22,27,29)
Definition date:2015-07-16
Last modified:2015-07-31
Release date:2015-08-05
Identifier:2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid
E23
E23
Name:N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
Formula:C19 H20 F3 N O
SMILES:O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
InChi:InChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
Definition date:2015-04-08
Last modified:2015-07-31
Release date:2015-08-05
Identifier:N-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide

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