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2CY
2CY
Name:5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
Formula:C17 H17 F N4 O2
SMILES:Fc3cccc(OCCCOc2c1c(nc(nc1N)N)ccc2)c3
InChi:InChI=1S/C17H17FN4O2/c18-11-4-1-5-12(10-11)23-8-3-9-24-14-7-2-6-13-15(14)16(19)22-17(20)21-13/h1-2,4-7,10H,3,8-9H2,(H4,19,20,21,22)
Definition date:2009-08-25
Last modified:2011-06-04
Identifier:5-[3-(3-fluorophenoxy)propoxy]quinazoline-2,4-diamine
2DC
2DC
Name:(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol
Formula:C27 H46 O3
SMILES:OC(CCC(C)C)C(O)(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C
InChi:InChI=1S/C27H46O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,17,19-24,28-30H,6,8-16H2,1-5H3/t19-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1
Definition date:2010-06-01
Last modified:2011-06-04
Identifier:(3alpha,8alpha,22R)-cholest-5-ene-3,20,22-triol
2DE
2DE
Name:(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Formula:C14 H26 O7 P2
SMILES:O=P(O)(O)OP(=O)(OC/C=C/CCC=C(/C)CCC=C(/C)C)O
InChi:InChI=1S/C14H26O7P2/c1-13(2)9-8-11-14(3)10-6-4-5-7-12-20-23(18,19)21-22(15,16)17/h5,7,9-10H,4,6,8,11-12H2,1-3H3,(H,18,19)(H2,15,16,17)/b7-5+,14-10+
Definition date:2010-10-29
Last modified:2011-06-04
Identifier:(2E,6E)-7,11-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
2DF
2DF
Name:N-(2-DEOXY-BETA-D-ERYTHO-PENTOFURANOSYL-5-PHOSPHATE) FORMAMIDE
Formula:C6 H12 N O7 P
SMILES:O=CNC1OC(C(O)C1)COP(=O)(O)O
InChi:InChI=1S/C6H12NO7P/c8-3-7-6-1-4(9)5(14-6)2-13-15(10,11)12/h3-6,9H,1-2H2,(H,7,8)(H2,10,11,12)/t4-,5+,6+/m0/s1
Definition date:2003-03-24
Last modified:2011-06-04
Identifier:2-deoxy-N-formyl-5-O-phosphono-beta-D-erythro-pentofuranosylamine
2DM
2DM
Name:2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE
Formula:C20 H19 O6 P
SMILES:O=P(O)(O)OCC(O)COCc4ccc2ccc1cccc3c1c2c4cc3
InChi:InChI=1S/C20H19O6P/c21-17(12-26-27(22,23)24)11-25-10-16-7-6-15-5-4-13-2-1-3-14-8-9-18(16)20(15)19(13)14/h1-9,17,21H,10-12H2,(H2,22,23,24)/t17-/m0/s1
Definition date:2004-02-09
Last modified:2011-06-04
Identifier:(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
2DS
2DS
Name:N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine
Formula:C20 H20 N2 O11
SMILES:O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)CO
InChi:InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12+/m1/s1
Definition date:2009-07-23
Last modified:2011-06-04
Identifier:N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine
2EA
2EA
Name:(1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE
Formula:C25 H22 N4 O
SMILES:n2ccc1cc(ccc1c2)c5cc(OCC(N)CC3c4ccccc4N=C3)cnc5
InChi:InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,21-22H,10,16,26H2/t21?,22-/m0/s1
Definition date:2005-12-22
Last modified:2011-06-04
Identifier:(2S)-1-[(3R)-3H-indol-3-yl]-3-[(5-isoquinolin-6-ylpyridin-3-yl)oxy]propan-2-amine
2EG
2EG
Name:2'-DEOXY-N-ETHYLGUANOSINE 5'-PHOSPHATE
Formula:C12 H18 N5 O7 P
SMILES:O=C1c2ncn(c2N=C(NCC)N1)C3OC(C(O)C3)COP(=O)(O)O
InChi:InChI=1S/C12H18N5O7P/c1-2-13-12-15-10-9(11(19)16-12)14-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,2-4H2,1H3,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1
Definition date:2006-07-19
Last modified:2011-06-04
Identifier:2'-deoxy-N-ethylguanosine 5'-(dihydrogen phosphate)
2EQ
2EQ
Name:5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
Formula:C23 H24 Cl N3 O5
SMILES:Clc1cc(c(O)cc1O)c2onc(C(=O)NCC)c2c3ccc(cc3)CN4CCOCC4
InChi:InChI=1S/C23H24ClN3O5/c1-2-25-23(30)21-20(22(32-26-21)16-11-17(24)19(29)12-18(16)28)15-5-3-14(4-6-15)13-27-7-9-31-10-8-27/h3-6,11-12,28-29H,2,7-10,13H2,1H3,(H,25,30)
Definition date:2007-09-24
Last modified:2011-06-04
Identifier:5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]isoxazole-3-carboxamide
2ER
2ER
Name:[(2R,3S,4R,5R)-5-[4-AMINOCARBONYL-5-[[(Z)-[(3R,4R)-3,4-DIHYDROXY-2-OXO-5-PHOSPHONOOXY-PENTYL]IMINOMETHYL]AMINO]IMIDAZOL-1-YL]-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
Formula:C15 H25 N5 O15 P2
SMILES:NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=NCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
InChi:InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8-,10+,11-,12-,15-/m1/s1
Definition date:2011-02-03
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[[(Z)-[(3R,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
2FF
2FF
Name:(5-(aminomethyl)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)(5-(phenylethynyl)furan-2-yl)methanone
Formula:C26 H24 N2 O3
SMILES:O=C(N3CCC1(c2c(OC1)ccc(c2)CN)CC3)c5oc(C#Cc4ccccc4)cc5
InChi:InChI=1S/C26H24N2O3/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19/h1-5,7,9-11,16H,12-15,17-18,27H2
Definition date:2007-10-04
Last modified:2011-06-04
Identifier:1-(1'-{[5-(phenylethynyl)furan-2-yl]carbonyl}spiro[1-benzofuran-3,4'-piperidin]-5-yl)methanamine
2FT
2FT
Name:2,2-difluoropentanedioic acid
Formula:C5 H6 F2 O4
SMILES:OC(=O)CCC(F)(F)C(O)=O
InChi:InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
Definition date:2010-01-25
Last modified:2011-06-04
Identifier:2,2-difluoropentanedioic acid
2FX
2FX
Name:1-benzothiophen-2-ylacetic acid
Formula:C10 H8 O2 S
SMILES:O=C(O)Cc2sc1ccccc1c2
InChi:InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
Definition date:2009-10-30
Last modified:2011-06-04
Identifier:1-benzothiophen-2-ylacetic acid
2G0
2G0
Name:(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide
Formula:C25 H45 N5 O8
SMILES:O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N)CC(C)C)CCC1)CCCCN)CC2OC(C(O)C(O)C2O)C
InChi:InChI=1S/C25H45N5O8/c1-13(2)11-16(23(27)35)29-24(36)17-8-6-10-30(17)25(37)15(7-4-5-9-26)28-19(31)12-18-21(33)22(34)20(32)14(3)38-18/h13-18,20-22,32-34H,4-12,26H2,1-3H3,(H2,27,35)(H,28,31)(H,29,36)/t14-,15-,16-,17-,18-,20+,21+,22+/m0/s1
Definition date:2008-06-30
Last modified:2011-06-04
Identifier:(2S)-1-[(2S)-6-amino-2-({[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoyl]-N-[(1S)-1-carbamoyl-3-methylbutyl]pyrrolidine-2-carboxamide (non-preferred name)
2GP
2GP
Name:GUANOSINE-2'-MONOPHOSPHATE
Formula:C10 H14 N5 O8 P
SMILES:O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OP(=O)(O)O)CO
InChi:InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/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:2'-guanylic acid
2GT
2GT
Name:2'-O-PROPARGYL THYMIDINE-5'-MONOPHOSPHATE
Formula:C13 H17 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCC#C)COP(=O)(O)O
InChi:InChI=1S/C13H17N2O9P/c1-3-4-22-10-9(16)8(6-23-25(19,20)21)24-12(10)15-5-7(2)11(17)14-13(15)18/h1,5,8-10,12,16H,4,6H2,2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-12-17
Last modified:2011-06-04
Identifier:5-methyl-2'-O-prop-2-yn-1-yluridine 5'-(dihydrogen phosphate)
2IM
2IM
Name:PIPERIDIN-2-IMINE
Formula:C5 H10 N2
SMILES:[N@H]=C1NCCCC1
InChi:InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
Definition date:2005-09-12
Last modified:2011-06-04
Identifier:(2E)-piperidin-2-imine
2IN
2IN
Name:N-(BENZYLSULFONYL)SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLYCINAMIDE
Formula:C20 H25 N5 O5 S
SMILES:O=S(=O)(NC(C(=O)NCC(=O)NCc1ccc(C(=[N@H])N)cc1)CO)Cc2ccccc2
InChi:InChI=1S/C20H25N5O5S/c21-19(22)16-8-6-14(7-9-16)10-23-18(27)11-24-20(28)17(12-26)25-31(29,30)13-15-4-2-1-3-5-15/h1-9,17,25-26H,10-13H2,(H3,21,22)(H,23,27)(H,24,28)/t17-/m1/s1
Definition date:2004-02-18
Last modified:2011-06-04
Identifier:N-(benzylsulfonyl)-D-seryl-N-(4-carbamimidoylbenzyl)glycinamide
2IP
2IP
Name:D-MYO-INOSITOL-1,4-BISPHOSPHATE
Formula:C6 H14 O12 P2
SMILES:O=P(OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6+/m1/s1
Definition date:2001-03-27
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R,6S)-2,3,5,6-tetrahydroxycyclohexane-1,4-diyl bis[dihydrogen (phosphate)]
2JZ
2JZ
Name:N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
Formula:C28 H26 F N7 O2
SMILES:Fc1ccccc1CCNc2nc(nc(n2)Nc3ccc(OC)c(OC)c3)Nc5cc4cccnc4cc5
InChi:InChI=1S/C28H26FN7O2/c1-37-24-12-10-21(17-25(24)38-2)33-28-35-26(31-15-13-18-6-3-4-8-22(18)29)34-27(36-28)32-20-9-11-23-19(16-20)7-5-14-30-23/h3-12,14,16-17H,13,15H2,1-2H3,(H3,31,32,33,34,35,36)
Definition date:2009-05-04
Last modified:2011-06-04
Identifier:N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine
855
855
Name:2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
Formula:C19 H15 N5
SMILES:n2c1c(cccc1)c(nc2c3nc(ccc3)C)Nc4ccncc4
InChi:InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24)
Definition date:2009-04-06
Last modified:2011-06-04
Identifier:2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine
857
857
Name:4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
Formula:C26 H26 Cl N5 O4
SMILES:O=C(NC)c5nccc(Oc1cc2nc(oc2cc1)Nc4ccc(Cl)c(OCC3N(C)CCC3)c4)c5
InChi:InChI=1S/C26H26ClN5O4/c1-28-25(33)22-14-19(9-10-29-22)35-18-6-8-23-21(13-18)31-26(36-23)30-16-5-7-20(27)24(12-16)34-15-17-4-3-11-32(17)2/h5-10,12-14,17H,3-4,11,15H2,1-2H3,(H,28,33)(H,30,31)/t17-/m0/s1
Definition date:2007-08-09
Last modified:2011-06-04
Identifier:4-({2-[(4-chloro-3-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}phenyl)amino]-1,3-benzoxazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
859
859
Name:2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)BENZAMIDE
Formula:C17 H15 N5 O2
SMILES:O=C(N)c1ccccc1Nc2nc(ncc2)Nc3cc(O)ccc3
InChi:InChI=1S/C17H15N5O2/c18-16(24)13-6-1-2-7-14(13)21-15-8-9-19-17(22-15)20-11-4-3-5-12(23)10-11/h1-10,23H,(H2,18,24)(H2,19,20,21,22)
Definition date:2006-10-26
Last modified:2011-06-04
Identifier:2-({2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzamide
864
864
Name:(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Formula:C22 H29 N2 O6 P
SMILES:O=C(O)C(c1cccc(c1)CN)CP(=O)(O)C(NC(=O)OCc2ccccc2)C(C)C
InChi:InChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1
Definition date:2007-04-20
Last modified:2011-06-04
Identifier:(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acid
866
866
Name:5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
Formula:C23 H21 Cl2 F4 N5 O3
SMILES:Clc1cccc(Cl)c1C(=O)N(CC)CC(O)(C(F)(F)F)CNC(=O)c3cnn(c2ccc(F)cc2)c3N
InChi:InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m0/s1
Definition date:2008-08-19
Last modified:2011-06-04
Identifier:5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

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