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2HH
2HH
Name:1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
Formula:C10 H10 N4 O
SMILES:O=C(Nc1cccnc1)c2ccnn2C
InChi:InChI=1S/C10H10N4O/c1-14-9(4-6-12-14)10(15)13-8-3-2-5-11-7-8/h2-7H,1H3,(H,13,15)
Definition date:2013-10-22
Last modified:2014-02-14
Release date:2014-02-19
Identifier:1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide
2HJ
2HJ
Name:4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
Formula:C23 H25 N3 O3 S
SMILES:O=C(Nc1cccnc1)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)C(C)(C)C
InChi:InChI=1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
Definition date:2013-10-22
Last modified:2014-02-14
Release date:2014-02-19
Identifier:4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide
2HL
2HL
Name:1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide
Formula:C26 H25 N5 O2
SMILES:O=C(c1ccccc1)N5CCC(Cn3c4ccc(C(=O)Nc2cccnc2)cc4nc3)CC5
InChi:InChI=1S/C26H25N5O2/c32-25(29-22-7-4-12-27-16-22)21-8-9-24-23(15-21)28-18-31(24)17-19-10-13-30(14-11-19)26(33)20-5-2-1-3-6-20/h1-9,12,15-16,18-19H,10-11,13-14,17H2,(H,29,32)
Definition date:2013-10-22
Last modified:2014-02-14
Release date:2014-02-19
Identifier:1-[(1-benzoylpiperidin-4-yl)methyl]-N-(pyridin-3-yl)-1H-benzimidazole-5-carboxamide
2JF
2JF
Name:(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate
Formula:C13 H24 N2 O5
SMILES:O=CC(N)COC(=O)CCCNC(=O)C(O)CC(C)C
InChi:InChI=1S/C13H24N2O5/c1-9(2)6-11(17)13(19)15-5-3-4-12(18)20-8-10(14)7-16/h7,9-11,17H,3-6,8,14H2,1-2H3,(H,15,19)/t10-,11+/m1/s1
Definition date:2013-10-29
Last modified:2014-02-14
Release date:2014-02-19
Identifier:(2S)-2-amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate
2JG
2JG
Name:(2S)-2-amino-3-oxopropyl hexanoate
Formula:C9 H17 N O3
SMILES:O=CC(N)COC(=O)CCCCC
InChi:InChI=1S/C9H17NO3/c1-2-3-4-5-9(12)13-7-8(10)6-11/h6,8H,2-5,7,10H2,1H3/t8-/m1/s1
Definition date:2013-10-29
Last modified:2014-02-14
Release date:2014-02-19
Identifier:(2S)-2-amino-3-oxopropyl hexanoate
2NR
2NR
Name:7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Formula:C23 H21 F N2 O5
SMILES:Fc4cccc(OC)c4c1cccc2nc(oc12)Nc3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C23H21FN2O5/c1-27-17-10-6-8-15(24)20(17)14-7-5-9-16-21(14)31-23(26-16)25-13-11-18(28-2)22(30-4)19(12-13)29-3/h5-12H,1-4H3,(H,25,26)
Definition date:2013-12-10
Last modified:2014-02-14
Release date:2014-02-19
Identifier:7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
2NS
2NS
Name:7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
Formula:C23 H20 N4 O4
SMILES:O(c1cc(cc(OC)c1OC)Nc2nc3cccc(c3o2)c5cccc4ncnc45)C
InChi:InChI=1S/C23H20N4O4/c1-28-18-10-13(11-19(29-2)22(18)30-3)26-23-27-17-9-5-7-15(21(17)31-23)14-6-4-8-16-20(14)25-12-24-16/h4-12H,1-3H3,(H,24,25)(H,26,27)
Definition date:2013-12-10
Last modified:2014-02-14
Release date:2014-02-19
Identifier:7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine
D87
D87
Name:2-butylfuro[2,3-c]quinolin-4-amine
Formula:C15 H16 N2 O
SMILES:n3c1ccccc1c2c(oc(c2)CCCC)c3N
InChi:InChI=1S/C15H16N2O/c1-2-3-6-10-9-12-11-7-4-5-8-13(11)17-15(16)14(12)18-10/h4-5,7-9H,2-3,6H2,1H3,(H2,16,17)
Definition date:2013-12-12
Last modified:2014-02-14
Release date:2014-02-19
Identifier:2-butylfuro[2,3-c]quinolin-4-amine
RUX
RUX
Name:[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
Formula:C29 H24 N4 O5 Ru
SMILES:O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C-]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6
InChi:InChI=1S/C14H11N4.C14H13O4.CO.Ru/c1-9-17-13-6-5-10(8-11(13)14(15)18-9)12-4-2-3-7-16-12
Definition date:2013-09-19
Last modified:2014-02-07
Release date:2014-02-12
Identifier:[4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
RN1
RN1
Name:(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol
Formula:C13 H14 O3
SMILES:OCC(O)COc2cccc1ccccc12
InChi:InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1
Definition date:2013-01-24
Last modified:2014-02-07
Release date:2014-02-12
Identifier:(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol
KV1
KV1
Name:N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
Formula:C23 H27 N5 O4
SMILES:O=C(NCC)C4N(C(=O)c1c2ccccc2oc1)CC(NC(=O)c3cc(nn3C)CC)C4
InChi:InChI=1S/C23H27N5O4/c1-4-14-10-18(27(3)26-14)22(30)25-15-11-19(21(29)24-5-2)28(12-15)23(31)17-13-32-20-9-7-6-8-16(17)20/h6-10,13,15,19H,4-5,11-12H2,1-3H3,(H,24,29)(H,25,30)/t15-,19+/m1/s1
Definition date:2014-01-29
Last modified:2014-02-07
Release date:2014-02-12
Identifier:(4R)-1-(1-benzofuran-3-ylcarbonyl)-N-ethyl-4-{[(3-ethyl-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-L-prolinamide
1HC
1HC
Name:prop-2-enamide
Formula:C3 H5 N O
SMILES:O=C(C=C)N
InChi:InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
Definition date:2013-02-04
Last modified:2014-02-07
Release date:2014-02-12
Identifier:prop-2-enamide
1QE
1QE
Name:N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
Formula:C24 H22 N4 S2
SMILES:s1cccc1C(=[N@H])Nc2cccc(c2)CCc3cc(ccc3)NC(=[N@H])c4sccc4
InChi:InChI=1S/C24H22N4S2/c25-23(21-9-3-13-29-21)27-19-7-1-5-17(15-19)11-12-18-6-2-8-20(16-18)28-24(26)22-10-4-14-30-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide
1QF
1QF
Name:N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
Formula:C27 H29 N5 S2
SMILES:s1cccc1C(=[N@H])Nc2ccc(cc2)CCN(CC)Cc3cc(ccc3)NC(=[N@H])c4sccc4
InChi:InChI=1S/C27H29N5S2/c1-2-32(19-21-6-3-7-23(18-21)31-27(29)25-9-5-17-34-25)15-14-20-10-12-22(13-11-20)30-26(28)24-8-4-16-33-24/h3-13,16-18H,2,14-15,19H2,1H3,(H2,28,30)(H2,29,31)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
1T7
1T7
Name:3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
Formula:C29 H26 N4 O2
SMILES:O=C(O)c1ccccc1c2cc(cc(N)c2)C5Nc3ccc(C(=[N@H])N)cc3C(c4ccccc4)C5
InChi:InChI=1S/C29H26N4O2/c30-21-13-19(22-8-4-5-9-23(22)29(34)35)12-20(14-21)27-16-24(17-6-2-1-3-7-17)25-15-18(28(31)32)10-11-26(25)33-27/h1-15,24,27,33H,16,30H2,(H3,31,32)(H,34,35)/t24-,27+/m1/s1
Definition date:2013-11-04
Last modified:2014-02-07
Release date:2014-02-12
Identifier:3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid
1XF
1XF
Name:2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
Formula:C10 H10 N2 O4 S
SMILES:O=C(Nc1ccccc1C(=O)O)CSC(=O)N
InChi:InChI=1S/C10H10N2O4S/c11-10(16)17-5-8(13)12-7-4-2-1-3-6(7)9(14)15/h1-4H,5H2,(H2,11,16)(H,12,13)(H,14,15)
Definition date:2013-07-25
Last modified:2014-02-07
Release date:2014-02-12
Identifier:2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid
5H3
5H3
Name:N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
Formula:C20 H20 F N3 S
SMILES:Fc1cccc(c1)CCNCc2cc(ccc2)NC(=[N@H])c3sccc3
InChi:InChI=1S/C20H20FN3S/c21-17-6-1-4-15(12-17)9-10-23-14-16-5-2-7-18(13-16)24-20(22)19-8-3-11-25-19/h1-8,11-13,23H,9-10,14H2,(H2,22,24)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
5H4
5H4
Name:N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
Formula:C22 H24 F N3 S
SMILES:Fc1cccc(c1)CCN(CC)Cc2cc(ccc2)NC(=[N@H])c3sccc3
InChi:InChI=1S/C22H24FN3S/c1-2-26(12-11-17-6-3-8-19(23)14-17)16-18-7-4-9-20(15-18)25-22(24)21-10-5-13-27-21/h3-10,13-15H,2,11-12,16H2,1H3,(H2,24,25)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide
21D
21D
Name:naphthalene-1,5-disulfonic acid
Formula:C10 H8 O6 S2
SMILES:O=S(=O)(O)c1cccc2c1cccc2S(=O)(=O)O
InChi:InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)
Definition date:2013-08-14
Last modified:2014-02-07
Release date:2014-02-12
Identifier:naphthalene-1,5-disulfonic acid
H36
H36
Name:N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
Formula:C24 H22 N4 O2 S2
SMILES:s1cccc1C(=[N@H])Nc4cccc(OCCOc3cc(NC(=[N@H])c2sccc2)ccc3)c4
InChi:InChI=1S/C24H22N4O2S2/c25-23(21-9-3-13-31-21)27-17-5-1-7-19(15-17)29-11-12-30-20-8-2-6-18(16-20)28-24(26)22-10-4-14-32-22/h1-10,13-16H,11-12H2,(H2,25,27)(H2,26,28)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide
H38
H38
Name:N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide
Formula:C22 H18 N4 S2
SMILES:s1cccc1C(=[N@H])Nc2cccc(c2)c3cc(ccc3)NC(=[N@H])c4sccc4
InChi:InChI=1S/C22H18N4S2/c23-21(19-9-3-11-27-19)25-17-7-1-5-15(13-17)16-6-2-8-18(14-16)26-22(24)20-10-4-12-28-20/h1-14H,(H2,23,25)(H2,24,26)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide
H44
H44
Name:N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
Formula:C25 H25 N5 S2
SMILES:s1cccc1C(=[N@H])Nc2ccc(cc2)CCNCc3cc(ccc3)NC(=[N@H])c4sccc4
InChi:InChI=1S/C25H25N5S2/c26-24(22-6-2-14-31-22)29-20-10-8-18(9-11-20)12-13-28-17-19-4-1-5-21(16-19)30-25(27)23-7-3-15-32-23/h1-11,14-16,28H,12-13,17H2,(H2,26,29)(H2,27,30)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
H45
H45
Name:N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
Formula:C25 H25 N5 S2
SMILES:s1cccc1C(=[N@H])Nc2cccc(c2)CCNCc3cc(ccc3)NC(=[N@H])c4sccc4
InChi:InChI=1S/C25H25N5S2/c26-24(22-9-3-13-31-22)29-20-7-1-5-18(15-20)11-12-28-17-19-6-2-8-21(16-19)30-25(27)23-10-4-14-32-23/h1-10,13-16,28H,11-12,17H2,(H2,26,29)(H2,27,30)
Definition date:2013-04-26
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
2ET
2ET
Name:N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine
Formula:C17 H21 N O5
SMILES:O=C(O)C(NCc2c(O)ccc1c2OC(=O)C=C1C)CC(C)C
InChi:InChI=1S/C17H21NO5/c1-9(2)6-13(17(21)22)18-8-12-14(19)5-4-11-10(3)7-15(20)23-16(11)12/h4-5,7,9,13,18-19H,6,8H2,1-3H3,(H,21,22)/t13-/m0/s1
Definition date:2013-10-01
Last modified:2014-02-07
Release date:2014-02-12
Identifier:N-[(7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl]-L-leucine
2KS
2KS
Name:1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine
Formula:C22 H27 N O
SMILES:O(C/C=C/c1ccccc1)C3CCC(c2ccccc2)(CC3)CN
InChi:InChI=1S/C22H27NO/c23-18-22(20-11-5-2-6-12-20)15-13-21(14-16-22)24-17-7-10-19-8-3-1-4-9-19/h1-12,21H,13-18,23H2/b10-7+/t21-,22-
Definition date:2013-11-20
Last modified:2014-02-07
Release date:2014-02-12
Identifier:1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine

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