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3FZ

3FZ
Name:	3-formylbenzenecarboximidamide
Formula:	C8 H8 N2 O
SMILES:	O=Cc1cccc(C(=[N@H])N)c1
InChi:	InChI=1S/C8H8N2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-5H,(H3,9,10)
Definition date:	2009-10-08
Last modified:	2011-06-04
Identifier:	3-formylbenzenecarboximidamide

3G3

3G3
Name:	2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Formula:	C11 H9 N5 O2
SMILES:	O=C1N(C(=O)c2ccccc12)CCc3nnnn3
InChi:	InChI=1S/C11H9N5O2/c17-10-7-3-1-2-4-8(7)11(18)16(10)6-5-9-12-14-15-13-9/h1-4H,5-6H2,(H,12,13,14,15)
Definition date:	2009-02-03
Last modified:	2011-06-04
Identifier:	2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione

3GH

3GH
Name:	N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide
Formula:	C50 H99 N O7
SMILES:	O=C(NC(COC1OC(C(O)CC1O)CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C50H99NO7/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-49(56)51-44(43-57-50-47(55)41-46(54)48(42-52)58-50)45(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h44-48,50,52-55H,3-43H2,1-2H3,(H,51,56)/t44-,45+,46+,47+,48+,50-/m0/s1
Definition date:	2010-12-03
Last modified:	2011-06-04
Identifier:	N-{(2S,3R)-1-[(3-deoxy-alpha-D-xylo-hexopyranosyl)oxy]-3-hydroxyoctadecan-2-yl}hexacosanamide

3GN

3GN
Name:	2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide
Formula:	C13 H16 N4 O
SMILES:	O=C(N)c3c1c(nc(n1)C2(NCCC2)C)ccc3
InChi:	InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m0/s1
Definition date:	2009-03-17
Last modified:	2011-06-04
Identifier:	2-[(2S)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-7-carboxamide

3GP

3GP
Name:	GUANOSINE-3'-MONOPHOSPHATE
Formula:	C10 H14 N5 O8 P
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)CO
InChi:	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	3'-guanylic acid

3GU

3GU
Name:	N6-cyclopentyladenosine
Formula:	C15 H21 N5 O4
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC4CCCC4
InChi:	InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
Definition date:	2009-04-10
Last modified:	2011-06-04
Identifier:	N-cyclopentyladenosine

3GV

3GV
Name:	(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Formula:	C11 H11 N O4
SMILES:	O=C2N(c1c(O)cccc1)CC(C(=O)O)C2
InChi:	InChI=1S/C11H11NO4/c13-9-4-2-1-3-8(9)12-6-7(11(15)16)5-10(12)14/h1-4,7,13H,5-6H2,(H,15,16)/t7-/m0/s1
Definition date:	2009-04-02
Last modified:	2011-06-04
Identifier:	(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

3HF

3HF
Name:	N~3~-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~,N~1~-dibutyl-1H-indole-1,3-dicarboxamide
Formula:	C36 H46 N4 O4
SMILES:	O=C(c2c1ccccc1n(c2)C(=O)N(CCCC)CCCC)NC(Cc3ccccc3)C(O)CNCc4cccc(OC)c4
InChi:	InChI=1S/C36H46N4O4/c1-4-6-20-39(21-7-5-2)36(43)40-26-31(30-18-11-12-19-33(30)40)35(42)38-32(23-27-14-9-8-10-15-27)34(41)25-37-24-28-16-13-17-29(22-28)44-3/h8-19,22,26,32,34,37,41H,4-7,20-21,23-25H2,1-3H3,(H,38,42)/t32-,34+/m0/s1
Definition date:	2010-08-19
Last modified:	2011-06-04
Identifier:	N~1~,N~1~-dibutyl-N~3~-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-1H-indole-1,3-dicarboxamide

3HH

3HH
Name:	N~1~-butyl-5-cyano-N~3~-{(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-N~1~-methyl-1H-indole-1,3-dicarboxamide
Formula:	C34 H37 F2 N5 O4
SMILES:	Fc1cc(cc(F)c1)CC(NC(=O)c3c2cc(C#N)ccc2n(c3)C(=O)N(CCCC)C)C(O)CNCc4cccc(OC)c4
InChi:	InChI=1S/C34H37F2N5O4/c1-4-5-11-40(2)34(44)41-21-29(28-15-22(18-37)9-10-31(28)41)33(43)39-30(16-24-12-25(35)17-26(36)13-24)32(42)20-38-19-23-7-6-8-27(14-23)45-3/h6-10,12-15,17,21,30,32,38,42H,4-5,11,16,19-20H2,1-3H3,(H,39,43)/t30-,32+/m0/s1
Definition date:	2010-08-19
Last modified:	2011-06-04
Identifier:	N~1~-butyl-5-cyano-N~3~-{(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxybenzyl)amino]butan-2-yl}-N~1~-methyl-1H-indole-1,3-dicarboxamide

3HP

3HP
Name:	3-HYDROXYPHENYLACETATE
Formula:	C8 H8 O3
SMILES:	O=C(O)Cc1cc(O)ccc1
InChi:	InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3-hydroxyphenyl)acetic acid

3HT

3HT
Name:	5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione
Formula:	C16 H12 N4 O2 S
SMILES:	S=C1OC(=NN1)c4cc2c(ncn2c3ccc(OC)cc3)cc4
InChi:	InChI=1S/C16H12N4O2S/c1-21-12-5-3-11(4-6-12)20-9-17-13-7-2-10(8-14(13)20)15-18-19-16(23)22-15/h2-9H,1H3,(H,19,23)
Definition date:	2008-11-19
Last modified:	2011-06-04
Identifier:	5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione

3IB

3IB
Name:	3-INDOLEBUTYRIC ACID
Formula:	C12 H13 N O2
SMILES:	O=C(O)CCCc2c1ccccc1nc2
InChi:	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	4-(1H-indol-3-yl)butanoic acid

3ID

3ID
Name:	3H-INDOLE-5,6-DIOL
Formula:	C8 H7 N O2
SMILES:	Oc1cc2c(cc1O)ncc2
InChi:	InChI=1S/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
Definition date:	2000-07-13
Last modified:	2011-06-04
Identifier:	1H-indole-5,6-diol

3II

3II
Name:	N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
Formula:	C32 H34 Cl2 N4 O5
SMILES:	Clc1ccc(c(Cl)c1)CCNC(=O)CN3C(=O)C5(N(c2ccccc2)C3)CCN(C(=O)c4ccc(OC)cc4OC)CC5
InChi:	InChI=1S/C32H34Cl2N4O5/c1-42-25-10-11-26(28(19-25)43-2)30(40)36-16-13-32(14-17-36)31(41)37(21-38(32)24-6-4-3-5-7-24)20-29(39)35-15-12-22-8-9-23(33)18-27(22)34/h3-11,18-19H,12-17,20-21H2,1-2H3,(H,35,39)
Definition date:	2009-08-04
Last modified:	2011-06-04
Identifier:	N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide

3IO

3IO
Name:	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID
Formula:	C11 H9 N O3
SMILES:	O=C(O)C(=O)Cc2c1ccccc1nc2
InChi:	InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
Definition date:	2006-03-06
Last modified:	2011-06-04
Identifier:	3-(1H-indol-3-yl)-2-oxopropanoic acid

3IP

3IP
Name:	3-(BENZYLOXY)PYRIDIN-2-AMINE
Formula:	C12 H12 N2 O
SMILES:	O(c1cccnc1N)Cc2ccccc2
InChi:	InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
Definition date:	2004-09-02
Last modified:	2011-06-04
Identifier:	3-(benzyloxy)pyridin-2-amine

3JZ

3JZ
Name:	N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
Formula:	C22 H21 F3 N6 O3 S
SMILES:	O=S(=O)(N(c1ccccc1CNc2nc(ncc2C(F)(F)F)Nc3cc4c(cc3)NC(=O)C4)C)C
InChi:	InChI=1S/C22H21F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,12H,10-11H2,1-2H3,(H,29,32)(H2,26,27,28,30)
Definition date:	2009-02-04
Last modified:	2011-06-04
Identifier:	N-methyl-N-{2-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide

3KC

3KC
Name:	3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol
Formula:	C20 H12 Cl N3 O
SMILES:	Clc5cc(O)ccc5C1=Nc4c(c2c3c1cnc3ncc2)cccc4
InChi:	InChI=1S/C20H12ClN3O/c21-16-9-11(25)5-6-14(16)19-15-10-23-20-18(15)13(7-8-22-20)12-3-1-2-4-17(12)24-19/h1-10,25H,(H,22,23)
Definition date:	2009-10-22
Last modified:	2011-06-04
Identifier:	3-chloro-4-(4H-3,4,7-triazadibenzo[cd,f]azulen-6-yl)phenol

403

403
Name:	(2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
Formula:	C20 H24 Cl N3 O4 S
SMILES:	O[CH]([CH](O)C(=O)N1CCN(CC1)c2ccccc2Cl)C(=O)NCCc3sccc3
InChi:	InChI=1S/C20H24ClN3O4S/c21-15-5-1-2-6-16(15)23-9-11-24(12-10-23)20(28)18(26)17(25)19(27)22-8-7-14-4-3-13-29-14/h1-6,13,17-18,25-26H,7-12H2,(H,22,27)/t17-,18-/m1/s1
Definition date:	2009-11-15
Last modified:	2011-06-04
Identifier:	(2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide

410

410
Name:	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
Formula:	C26 H24 Br N O6 S
SMILES:	O=C(c1ccccc1)N(c2cccc(c2)c3sc(c(OCC(=O)O)c3Br)C(=O)O)C4CCCCC4
InChi:	InChI=1S/C26H24BrNO6S/c27-21-22(34-15-20(29)30)24(26(32)33)35-23(21)17-10-7-13-19(14-17)28(18-11-5-2-6-12-18)25(31)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,29,30)(H,32,33)
Definition date:	2008-04-22
Last modified:	2011-06-04
Identifier:	4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid

411

411
Name:	3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
Formula:	C26 H22 Br N5 O2
SMILES:	O=C(NC(=[N@H])N)Cn3c(ccc3c2ccc(NC(=O)c1cccc(Br)c1)cc2)c4ccccc4
InChi:	InChI=1S/C26H22BrN5O2/c27-20-8-4-7-19(15-20)25(34)30-21-11-9-18(10-12-21)23-14-13-22(17-5-2-1-3-6-17)32(23)16-24(33)31-26(28)29/h1-15H,16H2,(H,30,34)(H4,28,29,31,33)
Definition date:	2008-01-24
Last modified:	2011-06-04
Identifier:	3-bromo-N-{4-[1-(2-carbamimidamido-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl]phenyl}benzamide

412

412
Name:	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
Formula:	C12 H18 B N3 O3
SMILES:	OCC1OB(OC1)c2ccc(cc2)CCNC(=[N@H])N
InChi:	InChI=1S/C12H18BN3O3/c14-12(15)16-6-5-9-1-3-10(4-2-9)13-18-8-11(7-17)19-13/h1-4,11,17H,5-8H2,(H4,14,15,16)/t11-/m1/s1
Definition date:	2005-06-02
Last modified:	2011-06-04
Identifier:	1-(2-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]phenyl}ethyl)guanidine

414

414
Name:	(5R,6R,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-5-CYCLOHEXYL-6-HYDROXY-3-OXO-1-PHENYL-2,7-DIOXA-4-AZA-6-PHOSPHANONAN-9-OIC ACID 6-OXIDE
Formula:	C24 H31 N4 O7 P
SMILES:	O=P(OC(c1cccc(NC(=[N@H])N)c1)C(=O)O)(O)C(NC(=O)OCc2ccccc2)C3CCCCC3
InChi:	InChI=1S/C24H31N4O7P/c25-23(26)27-19-13-7-12-18(14-19)20(22(29)30)35-36(32,33)21(17-10-5-2-6-11-17)28-24(31)34-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-14,17,20-21H,2,5-6,10-11,15H2,(H,28,31)(H,29,30)(H,32,33)(H4,25,26,27)/t20-,21+/m0/s1
Definition date:	2007-04-20
Last modified:	2011-06-04
Identifier:	(5R,6R,8S)-8-(3-carbamimidamidophenyl)-5-cyclohexyl-6-hydroxy-3-oxo-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide

416

416
Name:	(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Formula:	C15 H14 Cl F3 O3
SMILES:	O=C(O)C1=Cc2c(OC1C(F)(F)F)cc(c(Cl)c2)C(C)(C)C
InChi:	InChI=1S/C15H14ClF3O3/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19/h4-6,12H,1-3H3,(H,20,21)/t12-/m0/s1
Definition date:	2010-09-13
Last modified:	2011-06-04
Identifier:	(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

417

417
Name:	(1S,2R,5S)-5-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-2-(2,4,5-TRIFLUOROPHENYL)CYCLOHEXANAMINE
Formula:	C18 H19 F6 N5
SMILES:	Fc1cc(c(F)cc1F)C4CCC(N3Cc2nnc(n2CC3)C(F)(F)F)CC4N
InChi:	InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1
Definition date:	2007-04-13
Last modified:	2011-06-04
Identifier:	(1S,2R,5S)-5-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-(2,4,5-trifluorophenyl)cyclohexanamine

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