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MHC
MHC
Name:3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-B-CARBOLIN-2-YL)-PROPAN-1-ONE
Formula:C14 H16 N2 O S
SMILES:O=C(N3CCc2c1ccccc1nc2C3)CCS
InChi:InChI=1S/C14H16N2OS/c17-14(6-8-18)16-7-5-11-10-3-1-2-4-12(10)15-13(11)9-16/h1-4,15,18H,5-9H2
Definition date:2002-12-06
Last modified:2011-06-04
Identifier:3-oxo-3-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propane-1-thiol
MHR
MHR
Name:4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
Formula:C14 H15 N5 O
SMILES:n1ccc(OCCC)c2c1ncc2c3nc(ncc3)N
InChi:InChI=1S/C14H15N5O/c1-2-7-20-11-4-6-16-13-12(11)9(8-18-13)10-3-5-17-14(15)19-10/h3-6,8H,2,7H2,1H3,(H,16,18)(H2,15,17,19)
Definition date:2007-12-04
Last modified:2011-06-04
Identifier:4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
MJZ
MJZ
Name:(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid
Formula:C17 H26 N4 O17 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(N)C3NC(=O)C)O)O
InChi:InChI=1S/C17H26N4O17P2/c1-5(22)19-9-8(18)11(25)13(15(27)28)36-16(9)37-40(32,33)38-39(30,31)34-4-6-10(24)12(26)14(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-14,16,24-26H,4,18H2,1H3,(H,19,22)(H,27,28)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
Definition date:2010-04-29
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
MM0
MM0
Name:N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
Formula:C28 H30 N4
SMILES:n3c2c1cc5cc(ccc5nc1ccc2cc4c3ccc(c4)CNCCC)CNCCC
InChi:InChI=1S/C28H30N4/c1-3-11-29-17-19-6-9-26-22(13-19)15-21-7-10-27-24(28(21)32-26)16-23-14-20(18-30-12-4-2)5-8-25(23)31-27/h5-10,13-16,29-30H,3-4,11-12,17-18H2,1-2H3
Definition date:2007-11-27
Last modified:2011-06-04
Identifier:N,N'-(dibenzo[b,j][1,7]phenanthroline-2,10-diyldimethanediyl)dipropan-1-amine
MMG
MMG
Name:4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
Formula:C20 H14 N2 O2
SMILES:O=C(O)c4ccc(c2c1cc(cnc1nc2)c3ccccc3)cc4
InChi:InChI=1S/C20H14N2O2/c23-20(24)15-8-6-14(7-9-15)18-12-22-19-17(18)10-16(11-21-19)13-4-2-1-3-5-13/h1-12H,(H,21,22)(H,23,24)
Definition date:2009-05-14
Last modified:2011-06-04
Identifier:4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
B18
B18
Name:(4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE
Formula:C21 H24 N6 O3 S
SMILES:O=C(Nc1nc(C(=O)NCCN(C)C)cs1)c4ccc3nc2C(=O)NCC(c2c3c4)C
InChi:InChI=1S/C21H24N6O3S/c1-11-9-23-20(30)17-16(11)13-8-12(4-5-14(13)24-17)18(28)26-21-25-15(10-31-21)19(29)22-6-7-27(2)3/h4-5,8,10-11,24H,6-7,9H2,1-3H3,(H,22,29)(H,23,30)(H,25,26,28)/t11-/m0/s1
Definition date:2007-06-19
Last modified:2011-06-04
Identifier:(4R)-N-(4-{[2-(dimethylamino)ethyl]carbamoyl}-1,3-thiazol-2-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydro-1H-beta-carboline-6-carboxamide
B19
B19
Name:N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE
Formula:C12 H22 N2 O7 S
SMILES:O=S(=O)(N)NCC23OCC1OC(OC1C3OC(O2)(C)C)(C)C
InChi:InChI=1S/C12H22N2O7S/c1-10(2)18-7-5-17-12(6-14-22(13,15)16)9(8(7)19-10)20-11(3,4)21-12/h7-9,14H,5-6H2,1-4H3,(H2,13,15,16)/t7-,8-,9+,12+/m1/s1
Definition date:2006-05-19
Last modified:2011-06-04
Identifier:N-{[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide (non-preferred name)
B2D
B2D
Name:7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
Formula:C21 H17 N7 O
SMILES:n1nc4ccc(nn4c1CNc2c3ncc(OC)cc3ncc2)c5ccccc5
InChi:InChI=1S/C21H17N7O/c1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,22,23)
Definition date:2009-07-09
Last modified:2011-06-04
Identifier:7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
B5P
B5P
Name:N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
Formula:C19 H22 N6 O6 S2
SMILES:O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)N=C(N2)C4=C(O)n3ccnc3N(C4=O)CCC(C)C)C
InChi:InChI=1S/C19H22N6O6S2/c1-11(2)6-8-24-17(26)15(18(27)25-9-7-20-19(24)25)16-21-13-5-4-12(22-32(3,28)29)10-14(13)33(30,31)23-16/h4-5,7,9-11,22,27H,6,8H2,1-3H3,(H,21,23)
Definition date:2009-05-06
Last modified:2011-06-04
Identifier:N-{3-[5-hydroxy-8-(3-methylbutyl)-7-oxo-7,8-dihydroimidazo[1,2-a]pyrimidin-6-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide
501
501
Name:N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE
Formula:C17 H21 Cl N6
SMILES:Clc1cc(c(cc1)C)Nc2nc3nc(cc(n3n2)NCCCC)C
InChi:InChI=1S/C17H21ClN6/c1-4-5-8-19-15-9-12(3)20-17-22-16(23-24(15)17)21-14-10-13(18)7-6-11(14)2/h6-7,9-10,19H,4-5,8H2,1-3H3,(H,21,23)
Definition date:2005-05-03
Last modified:2011-06-04
Identifier:N~7~-butyl-N~2~-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
507
507
Name:1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
Formula:C19 H20 N4 O2
SMILES:O=C(c1cccc(c1)c2cnc3ccc(nn23)NC4CCOCC4)C
InChi:InChI=1S/C19H20N4O2/c1-13(24)14-3-2-4-15(11-14)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-25-10-8-16/h2-6,11-12,16H,7-10H2,1H3,(H,21,22)
Definition date:2010-09-10
Last modified:2011-06-04
Identifier:1-{3-[6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl}ethanone
B84
B84
Name:(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
Formula:C26 H33 N5 O4 S2
SMILES:O=S(=O)(N1CCN(C)CC1)c2ccc(cc2)C(C(=O)Nc3nc4ccc(nc4s3)OC)CC5CCCC5
InChi:InChI=1S/C26H33N5O4S2/c1-30-13-15-31(16-14-30)37(33,34)20-9-7-19(8-10-20)21(17-18-5-3-4-6-18)24(32)29-26-27-22-11-12-23(35-2)28-25(22)36-26/h7-12,18,21H,3-6,13-17H2,1-2H3,(H,27,29,32)/t21-/m1/s1
Definition date:2009-08-14
Last modified:2011-06-04
Identifier:(2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide
52P
52P
Name:5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
Formula:C19 H9 Cl2 F2 N3 O S
SMILES:Fc4ccc(SC1=NN2C(C=C1)=C(C(=O)N=C2)c3c(Cl)cccc3Cl)c(F)c4
InChi:InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
Definition date:2008-11-26
Last modified:2011-06-04
Identifier:5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-b]pyridazin-6-one
EWA
EWA
Name:[(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID
Formula:C11 H16 B N O5
SMILES:O=C(c1c(OC)cccc1OC)NC(B(O)O)C
InChi:InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1
Definition date:2010-07-21
Last modified:2011-06-04
Identifier:[(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid
EWB
EWB
Name:[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
Formula:C16 H19 B N O4
SMILES:O=C(c1ccccc1Cc2ccccc2)NC([B-](O)(O)O)C
InChi:InChI=1S/C16H19BNO4/c1-12(17(20,21)22)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-22H,11H2,1H3,(H,18,19)/q-1/t12-/m1/s1
Definition date:2010-07-07
Last modified:2011-06-04
Identifier:[(1S)-1-{[(2-benzylphenyl)carbonyl]amino}ethyl](trihydroxy)borate(1-)
580
580
Name:3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOLE
Formula:C18 H16 F N3
SMILES:Fc4ccc(c1c(nn2c1CCC2)c3nc(ccc3)C)cc4
InChi:InChI=1S/C18H16FN3/c1-12-4-2-5-15(20-12)18-17(13-7-9-14(19)10-8-13)16-6-3-11-22(16)21-18/h2,4-5,7-10H,3,6,11H2,1H3
Definition date:2004-01-20
Last modified:2011-06-04
Identifier:3-(4-fluorophenyl)-2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
585
585
Name:6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Formula:C22 H23 F N6 O5
SMILES:Fc1cnc(nc1Nc2nc3NC(=O)C(Oc3cc2)(C)C)Nc4cc(OC)c(OC)c(OC)c4
InChi:InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
Definition date:2009-01-09
Last modified:2011-06-04
Identifier:6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
598
598
Name:6-{[1-(BENZYLSULFONYL)PIPERIDIN-4-YL]AMINO}-3-(CARBOXYMETHOXY)THIENO[3,2-B][1]BENZOTHIOPHENE-2-CARBOXYLIC ACID
Formula:C25 H24 N2 O7 S3
SMILES:O=S(=O)(N4CCC(Nc1cc2sc3c(OCC(=O)O)c(sc3c2cc1)C(=O)O)CC4)Cc5ccccc5
InChi:InChI=1S/C25H24N2O7S3/c28-20(29)13-34-21-23-22(36-24(21)25(30)31)18-7-6-17(12-19(18)35-23)26-16-8-10-27(11-9-16)37(32,33)14-15-4-2-1-3-5-15/h1-7,12,16,26H,8-11,13-14H2,(H,28,29)(H,30,31)
Definition date:2005-09-30
Last modified:2011-06-04
Identifier:6-{[1-(benzylsulfonyl)piperidin-4-yl]amino}-3-(carboxymethoxy)thieno[3,2-b][1]benzothiophene-2-carboxylic acid
GVH
GVH
Name:1H-PYRROLO[2,3-B]PYRIDINE
Formula:C7 H6 N2
SMILES:n1cccc2c1ncc2
InChi:InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
Definition date:2007-03-15
Last modified:2011-06-04
Identifier:1H-pyrrolo[2,3-b]pyridine
GYN
GYN
Name:GYMNODIMINE A
Formula:C32 H47 N O4
SMILES:O=C5OC(C3=C(C2C=C(C(O)CCC4OC(C(=CCCC1=NCCCC12CC3)C)C(C)C4)C)C)CC5C
InChi:InChI=1S/C32H47NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17,21-22,24,26-28,30,34H,6-7,9-16,18H2,1-5H3/b19-8+,20-17+/t21-,22+,24+,26+,27+,28+,30+,32+/m1/s1
Definition date:2009-12-04
Last modified:2011-06-04
Identifier:(3S,5S)-5-[(4aR,8aS,9E,11S,14S,16R,17R,18E)-11-hydroxy-8,10,16,18-tetramethyl-3,4,5,6,8a,11,12,13,14,15,16,17,20,21-tetradecahydro-2H-14,17-epoxybenzo[2,3]cyclohexadeca[1,2-b]pyridin-7-yl]-3-methyldihydrofuran-2(3H)-one
5SC
5SC
Name:3-((3-bromo-5-o-tolylpyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
Formula:C19 H16 Br N5 O
SMILES:[O-][n+]1cccc(c1)CNc2cc(nc3c(Br)cnn23)c4ccccc4C
InChi:InChI=1S/C19H16BrN5O/c1-13-5-2-3-7-15(13)17-9-18(25-19(23-17)16(20)11-22-25)21-10-14-6-4-8-24(26)12-14/h2-9,11-12,21H,10H2,1H3
Definition date:2007-09-20
Last modified:2011-06-04
Identifier:3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
H59
H59
Name:N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
Formula:C26 H30 F N3 O6 S2
SMILES:Fc1ccc(cc1C)CN4C(=O)C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)=C(O)C4C(C)(C)CC
InChi:InChI=1S/C26H30FN3O6S2/c1-6-26(3,4)24-23(31)22(25(32)30(24)13-16-7-9-18(27)15(2)11-16)20-14-38(35,36)21-12-17(29-37(5,33)34)8-10-19(21)28-20/h7-12,14,24,28-29,31H,6,13H2,1-5H3/t24-/m1/s1
Definition date:2009-04-29
Last modified:2011-06-04
Identifier:N-{3-[(5S)-5-(1,1-dimethylpropyl)-1-(4-fluoro-3-methylbenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide
HP7
HP7
Name:(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
Formula:C17 H25 N3 O18 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O
InChi:InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
HTJ
HTJ
Name:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C19 H14 N4 O2
SMILES:O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4
InChi:InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)
Definition date:2010-08-03
Last modified:2011-06-04
Identifier:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
HUB
HUB
Name:HUPERZINE B
Formula:C16 H20 N2 O
SMILES:O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C
InChi:InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Definition date:2001-11-07
Last modified:2011-06-04
Identifier:(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one

222415

數據於2024-07-10公開中

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