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YJC
YJC
Name:(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
Formula:C25 H25 Cl2 N3 O4 S
SMILES:O=S(=O)(c1ccccc1Cl)C5CC(C(=O)NC2(C=[N@H])CC2)N(C(=O)C4(c3ccc(Cl)cc3)CC4)C5
InChi:InChI=1S/C25H25Cl2N3O4S/c26-17-7-5-16(6-8-17)25(11-12-25)23(32)30-14-18(35(33,34)21-4-2-1-3-19(21)27)13-20(30)22(31)29-24(15-28)9-10-24/h1-8,15,18,20,28H,9-14H2,(H,29,31)/b28-15+/t18-,20+/m1/s1
Definition date:2011-05-19
Last modified:2011-11-21
Identifier:(4R)-1-{[1-(4-chlorophenyl)cyclopropyl]carbonyl}-4-[(2-chlorophenyl)sulfonyl]-N-{1-[(E)-iminomethyl]cyclopropyl}-L-prolinamide
HCW
HCW
Name:1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA
Formula:C23 H28 N10 O
SMILES:O=C(Nc2ccc(C(=NNC1=NCCN1)C)cc2)Nc4ccc(/C(=N/NC3=NCCN3)C)cc4
InChi:InChI=1S/C23H28N10O/c1-15(30-32-21-24-11-12-25-21)17-3-7-19(8-4-17)28-23(34)29-20-9-5-18(6-10-20)16(2)31-33-22-26-13-14-27-22/h3-10H,11-14H2,1-2H3,(H2,24,25,32)(H2,26,27,33)(H2,28,29,34)/b30-15+,31-16+
Definition date:2011-03-16
Last modified:2011-11-11
Identifier:1,3-bis{4-[(1E)-N-(4,5-dihydro-1H-imidazol-2-yl)ethanehydrazonoyl]phenyl}urea
S69
S69
Name:N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
Formula:C17 H18 N2 O4
SMILES:O=C(N/N=C/c1c(cc(O)cc1O)C)Cc2cccc(OC)c2
InChi:InChI=1S/C17H18N2O4/c1-11-6-13(20)9-16(21)15(11)10-18-19-17(22)8-12-4-3-5-14(7-12)23-2/h3-7,9-10,20-21H,8H2,1-2H3,(H,19,22)/b18-10+
Definition date:2010-12-03
Last modified:2011-11-11
Identifier:N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
YCF
YCF
Name:(2E)-N-hydroxy-2-[1-(4-{[(4-{(1E)-1-[2-(N'-hydroxycarbamimidoyl)hydrazinylidene]ethyl}phenyl)carbamoyl]amino}phenyl)ethylidene]hydrazinecarboximidamide
Formula:C19 H24 N10 O3
SMILES:O=C(Nc1ccc(cc1)C(=NNC(=NO)N)C)Nc2ccc(C(=NNC(=[N@H])NO)C)cc2
InChi:InChI=1S/C19H24N10O3/c1-11(24-26-17(20)28-31)13-3-7-15(8-4-13)22-19(30)23-16-9-5-14(6-10-16)12(2)25-27-18(21)29-32/h3-10,31-32H,1-2H3,(H3,20,26,28)(H3,21,27,29)(H2,22,23,30)/b24-11+,25-12+
Definition date:2011-03-14
Last modified:2011-11-11
Identifier:(2E)-N-hydroxy-2-(1-{4-[({4-[(1E)-N-(N'-hydroxycarbamimidoyl)ethanehydrazonoyl]phenyl}carbamoyl)amino]phenyl}ethylidene)hydrazinecarboximidamide
UPX
UPX
Name:N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE
Formula:C20 H17 N7 O3
SMILES:[O-][N+](=O)c2cccc1cc(nc12)C(=O)Nc4ccc(/C(=N/Nc3nccn3)C)cc4
InChi:InChI=1S/C20H17N7O3/c1-12(25-26-20-21-9-10-22-20)13-5-7-15(8-6-13)23-19(28)16-11-14-3-2-4-17(27(29)30)18(14)24-16/h2-11,24H,1H3,(H,23,28)(H2,21,22,26)/b25-12+
Definition date:2011-03-16
Last modified:2011-11-11
Identifier:N-{4-[(1E)-N-1H-imidazol-2-ylethanehydrazonoyl]phenyl}-7-nitro-1H-indole-2-carboxamide
13I
13I
Name:(E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE
Formula:C20 H26 Cl N O6
SMILES:CCO[CH](O)[CH]1CCCC=CCCNC(=O)c2c(O)cc(O)c(Cl)c2CC1=O
InChi:InChI=1S/C20H26ClNO6/c1-2-28-20(27)12-8-6-4-3-5-7-9-22-19(26)17-13(10-14(12)23)18(21)16(25)11-15(17)24/h3,5,11-12,20,24-25,27H,2,4,6-10H2,1H3,(H,22,26)/b5-3+/t12-,20+/m0/s1
Definition date:2010-11-08
Last modified:2011-11-11
Identifier:(4R,8E)-18-chloro-4-[(R)-ethoxy-hydroxy-methyl]-15,17-dihydroxy-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraene-3,13-dione
NXP
NXP
Name:N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE
Formula:C18 H18 N6 O
SMILES:O=C(c2c1ccccc1nc2)Nc3ccc(C(=NNC(=[N@H])N)C)cc3
InChi:InChI=1S/C18H18N6O/c1-11(23-24-18(19)20)12-6-8-13(9-7-12)22-17(25)15-10-21-16-5-3-2-4-14(15)16/h2-10,21H,1H3,(H,22,25)(H4,19,20,24)/b23-11+
Definition date:2011-03-16
Last modified:2011-11-11
Identifier:N-{4-[(1E)-N-carbamimidoylethanehydrazonoyl]phenyl}-1H-indole-3-carboxamide
BXL
BXL
Name:(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide
Formula:C20 H23 N3 O2
SMILES:O=C(Nc1ccccc1N)CCC/C=C/CC(=O)Nc2ccccc2
InChi:InChI=1S/C20H23N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h1,3-6,8-13H,2,7,14-15,21H2,(H,22,24)(H,23,25)/b6-1+
Definition date:2010-05-07
Last modified:2011-10-28
Identifier:(3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide
546
546
Name:2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
Formula:C18 H17 N5 O
SMILES:n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C
InChi:InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3
Definition date:2011-07-11
Last modified:2011-10-21
Identifier:2-methoxy-6,7-dimethyl-9-(4-methylpyridin-3-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazine
AZB
AZB
Name:4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
Formula:C15 H16 N2 O
SMILES:N(=N/c1ccc(O)cc1)c2ccc(cc2)C(C)C
InChi:InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
Definition date:2011-03-14
Last modified:2011-10-14
Identifier:4-{(E)-[4-(propan-2-yl)phenyl]diazenyl}phenol
ERA
ERA
Name:(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide
Formula:C41 H75 N O3
SMILES:O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCC=C/CCCCCCC=CC=CCCCCC
InChi:InChI=1S/C41H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-41(45)42-39(38-43)40(44)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,15,17,25,27,34,36,39-40,43-44H,3-10,12,14,16,18-24,26,28-33,35,37-38H2,1-2H3,(H,42,45)/b13-11+,17-15+,27-25-,36-34+/t39-,40-/m0/s1
Definition date:2011-04-04
Last modified:2011-10-07
Identifier:(7Z,15E,17E)-N-[(2S,3S,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tricosa-7,15,17-trienamide
3GD
3GD
Name:N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
Formula:C52 H99 N O13
SMILES:O=C(NC(COC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
InChi:InChI=1S/C52H99NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(57)53-40(41(56)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)39-63-51-49(62)47(60)50(43(38-55)65-51)66-52-48(61)46(59)45(58)42(37-54)64-52/h33,35,40-43,45-52,54-56,58-62H,3-32,34,36-39H2,1-2H3,(H,53,57)/b35-33+/t40-,41+,42+,43+,45-,46-,47+,48+,49+,50+,51+,52-/m0/s1
Definition date:2011-08-21
Last modified:2011-09-30
Identifier:N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]docosanamide
MFM
MFM
Name:(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID
Formula:C17 H12 Cl N O4 S2
SMILES:S=C1S/C(C(=O)N1CCC(=O)O)=C/c3oc(c2ccc(Cl)cc2)cc3
InChi:InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)13-6-5-12(23-13)9-14-16(22)19(17(24)25-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)/b14-9+
Definition date:2005-06-15
Last modified:2011-09-26
Identifier:3-[(5E)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
3SB
3SB
Name:(2S)-2-amino-N'-[(1E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
Formula:C16 H17 N3 O3
SMILES:O=C(N/N=C/c1c(cc(O)cc1O)C)C(c2ccccc2)N
InChi:InChI=1S/C16H17N3O3/c1-10-7-12(20)8-14(21)13(10)9-18-19-16(22)15(17)11-5-3-2-4-6-11/h2-9,15,20-21H,17H2,1H3,(H,19,22)/b18-9+/t15-/m0/s1
Definition date:2010-09-30
Last modified:2011-09-23
Identifier:(2S)-2-amino-N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-phenylethanehydrazide
4SB
4SB
Name:(2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
Formula:C17 H18 Br N3 O2
SMILES:Brc2cc(/C=N/NC(=O)C(c1ccccc1)CCN)ccc2O
InChi:InChI=1S/C17H18BrN3O2/c18-15-10-12(6-7-16(15)22)11-20-21-17(23)14(8-9-19)13-4-2-1-3-5-13/h1-7,10-11,14,22H,8-9,19H2,(H,21,23)/b20-11+/t14-/m1/s1
Definition date:2010-10-01
Last modified:2011-09-23
Identifier:(2R)-4-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide
1SB
1SB
Name:N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
Formula:C16 H16 N2 O3
SMILES:O=C(N/N=C/c1ccc(O)cc1)Cc2cc(OC)ccc2
InChi:InChI=1S/C16H16N2O3/c1-21-15-4-2-3-13(9-15)10-16(20)18-17-11-12-5-7-14(19)8-6-12/h2-9,11,19H,10H2,1H3,(H,18,20)/b17-11+
Definition date:2010-09-20
Last modified:2011-09-16
Identifier:N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide
2SB
2SB
Name:(2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
Formula:C15 H14 Br N3 O2
SMILES:Brc2cc(/C=N/NC(=O)C(c1ccccc1)N)ccc2O
InChi:InChI=1S/C15H14BrN3O2/c16-12-8-10(6-7-13(12)20)9-18-19-15(21)14(17)11-4-2-1-3-5-11/h1-9,14,20H,17H2,(H,19,21)/b18-9+/t14-/m0/s1
Definition date:2010-09-22
Last modified:2011-09-16
Identifier:(2S)-2-amino-N'-[(E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide
YIQ
YIQ
Name:(E)-5-(1-(2-CARBAMIMIDOYLHYDRAZONO)ETHYL)-N-(1H-INDOL-6-YL)-1H-INDOLE-2-CARBOXAMIDE
Formula:C20 H19 N7 O
SMILES:O=C(c2cc1cc(C(=NNC(=[N@H])N)C)ccc1n2)Nc3ccc4c(c3)ncc4
InChi:InChI=1S/C20H19N7O/c1-11(26-27-20(21)22)13-3-5-16-14(8-13)9-18(25-16)19(28)24-15-4-2-12-6-7-23-17(12)10-15/h2-10,23,25H,1H3,(H,24,28)(H4,21,22,27)/b26-11+
Definition date:2011-05-16
Last modified:2011-09-02
Identifier:5-[(1E)-N-carbamimidoylethanehydrazonoyl]-N-1H-indol-6-yl-1H-indole-2-carboxamide
YIR
YIR
Name:(E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE
Formula:C20 H19 N7 O3
SMILES:[O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc4ccc3C(=NNC(=[N@H])N)CCCc3c4
InChi:InChI=1S/C20H19N7O3/c21-20(22)26-25-15-5-1-3-11-9-13(7-8-14(11)15)23-19(28)16-10-12-4-2-6-17(27(29)30)18(12)24-16/h2,4,6-10,24H,1,3,5H2,(H,23,28)(H4,21,22,26)/b25-15+
Definition date:2011-05-16
Last modified:2011-09-02
Identifier:N-[(5E)-5-(carbamimidoylhydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl]-7-nitro-1H-indole-2-carboxamide
YIT
YIT
Name:N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide
Formula:C21 H24 N6 O2
SMILES:O=C(c2cc1cc(OC)ccc1n2)Nc3ccc(C(=NNC(=[N@H])N)CCC)cc3
InChi:InChI=1S/C21H24N6O2/c1-3-4-18(26-27-21(22)23)13-5-7-15(8-6-13)24-20(28)19-12-14-11-16(29-2)9-10-17(14)25-19/h5-12,25H,3-4H2,1-2H3,(H,24,28)(H4,22,23,27)/b26-18+
Definition date:2011-05-16
Last modified:2011-09-02
Identifier:N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide
S89
S89
Name:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
Formula:C27 H28 N2 O3
SMILES:O=C(C=Cc1ccccc1)NC(C(=O)NC(Cc2ccccc2)CO)Cc3ccccc3
InChi:InChI=1S/C27H28N2O3/c30-20-24(18-22-12-6-2-7-13-22)28-27(32)25(19-23-14-8-3-9-15-23)29-26(31)17-16-21-10-4-1-5-11-21/h1-17,24-25,30H,18-20H2,(H,28,32)(H,29,31)/b17-16+/t24-,25-/m0/s1
Definition date:2011-07-18
Last modified:2011-09-02
Identifier:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
659
659
Name:N-[(E)-3-[(2R,3R,4S,5R)-3-fluoro-4-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Formula:C26 H24 F2 N6 O5
SMILES:Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NC)C(O)C5F
InChi:InChI=1S/C26H24F2N6O5/c1-29-23-20-24(32-11-31-23)34(12-33-20)26-22(37)19(28)18(39-26)3-2-8-30-25(38)16-9-14(10-17(35)21(16)36)13-4-6-15(27)7-5-13/h2-7,9-12,18-19,22,26,35-37H,8H2,1H3,(H,30,38)(H,29,31,32)/b3-2+/t18-,19+,22-,26-/m1/s1
Definition date:2010-07-23
Last modified:2011-07-29
Identifier:N-methyl-9-[(5E)-3,5,6,7-tetradeoxy-3-fluoro-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-beta-D-xylo-hept-5-enofuranosyl]-9H-purin-6-amine
662
662
Name:5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-3-[(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide
Formula:C29 H31 F N6 O5
SMILES:Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/C5OC(n4cnc3c(ncnc34)NCCC)C(O)C5C
InChi:InChI=1S/C29H31FN6O5/c1-3-10-31-26-23-27(34-14-33-26)36(15-35-23)29-24(38)16(2)22(41-29)5-4-11-32-28(40)20-12-18(13-21(37)25(20)39)17-6-8-19(30)9-7-17/h4-9,12-16,22,24,29,37-39H,3,10-11H2,1-2H3,(H,32,40)(H,31,33,34)/b5-4+/t16-,22+,24+,29+/m0/s1
Definition date:2010-07-23
Last modified:2011-07-29
Identifier:N-propyl-9-[(5E)-3,5,6,7-tetradeoxy-7-{[(4'-fluoro-4,5-dihydroxybiphenyl-3-yl)carbonyl]amino}-3-methyl-beta-D-xylo-hept-5-enofuranosyl]-9H-purin-6-amine
3OS
3OS
Name:2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide
Formula:C20 H18 F3 N3 O5
SMILES:O=C(NOCCO)c1c(c(F)c(F)c(C=NOCCO)c1)Nc2ccc(C#C)cc2F
InChi:InChI=1S/C20H18F3N3O5/c1-2-12-3-4-16(15(21)9-12)25-19-14(20(29)26-31-8-6-28)10-13(17(22)18(19)23)11-24-30-7-5-27/h1,3-4,9-11,25,27-28H,5-8H2,(H,26,29)/b24-11+
Definition date:2010-09-14
Last modified:2011-07-22
Identifier:2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{(E)-[(2-hydroxyethoxy)imino]methyl}benzamide
LCS
LCS
Name:[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
Formula:C11 H14 N3 O7 P
SMILES:O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2
InChi:InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+
Definition date:1999-11-17
Last modified:2011-07-21
Identifier:[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate

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