![19B 19B](https://data.pdbj.org/pdbjplus/data/cc/svg/19B.svg) | 19B | Name: | 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide | Formula: | C30 H32 N4 O3 | SMILES: | O=C(c4ccc(c(c2ccc1c(noc1c2)C3CCNCC3)c4)C)Nc6cc(N5CCOCC5)ccc6 | InChi: | InChI=1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35) | Definition date: | 2008-08-26 | Last modified: | 2011-06-04 | Identifier: | 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide |
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![1A2 1A2](https://data.pdbj.org/pdbjplus/data/cc/svg/1A2.svg) | 1A2 | Name: | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE | Formula: | C21 H22 F2 N6 O | SMILES: | N#CC4=NC=C(C(=O)N3CCC2(N=C(c1c(c(F)ccc1F)N2CC)N)CC3)CC4 | InChi: | InChI=1S/C21H22F2N6O/c1-2-29-18-16(23)6-5-15(22)17(18)19(25)27-21(29)7-9-28(10-8-21)20(30)13-3-4-14(11-24)26-12-13/h5-6,12H,2-4,7-10H2,1H3,(H2,25,27) | Definition date: | 2005-12-06 | Last modified: | 2011-06-04 | Identifier: | 5-[(4'-amino-1'-ethyl-5',8'-difluoro-1H,1'H-spiro[piperidine-4,2'-quinazolin]-1-yl)carbonyl]-3,4-dihydropyridine-2-carbonitrile |
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![LDN LDN](https://data.pdbj.org/pdbjplus/data/cc/svg/LDN.svg) | LDN | Name: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline | Formula: | C25 H22 N6 | SMILES: | n1cc(cn2ncc(c12)c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6 | InChi: | InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2 | Definition date: | 2010-04-02 | Last modified: | 2011-06-04 | Identifier: | 4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline |
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![B92 B92](https://data.pdbj.org/pdbjplus/data/cc/svg/B92.svg) | B92 | Name: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid | Formula: | C29 H35 N5 O9 | SMILES: | CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C2CCCC[CH]2N3N1C(=O)N(C[CH](CCC(O)=O)NC(=O)Cc4ccccc4)C3=O | InChi: | InChI=1S/C29H35N5O9/c1-17(35)21(15-26(39)40)31-27(41)23-14-19-9-5-6-10-22(19)33-28(42)32(29(43)34(23)33)16-20(11-12-25(37)38)30-24(36)13-18-7-3-2-4-8-18/h2-4,7-8,14,20-23H,5-6,9-13,15-16H2,1H3,(H,30,36)(H,31,41)(H,37,38)(H,39,40)/t20-,21-,22-,23-/m0/s1 | Definition date: | 2009-11-05 | Last modified: | 2011-06-04 | Identifier: | (3S)-3-[[(5S,10aS)-2-[(2S)-5-hydroxy-5-oxo-2-(2-phenylethanoylamino)pentyl]-1,3-dioxo-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonylamino]-4-oxo-pentanoic acid |
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![B96 B96](https://data.pdbj.org/pdbjplus/data/cc/svg/B96.svg) | B96 | Name: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA | Formula: | C31 H37 N5 O3 | SMILES: | O=C(Nc2cc(nn2c1ccc(cc1)C)C(C)(C)C)Nc5c3c(cccc3)c(OCCN4CCOCC4)cc5 | InChi: | InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | Definition date: | 2002-02-01 | Last modified: | 2011-06-04 | Identifier: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea |
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![B97 B97](https://data.pdbj.org/pdbjplus/data/cc/svg/B97.svg) | B97 | Name: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | Formula: | C21 H18 N4 O S | SMILES: | O=C3NC(CNc2c4c1ccc(nc1ccc4sc23)c5ccc(nc5)C)C | InChi: | InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1 | Definition date: | 2009-01-28 | Last modified: | 2011-06-04 | Identifier: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one |
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![1AZ 1AZ](https://data.pdbj.org/pdbjplus/data/cc/svg/1AZ.svg) | 1AZ | Name: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione | Formula: | C18 H19 Cl2 N5 O3 | SMILES: | Clc1ccc(cc1Cl)CN4C(=O)c3c(nc(N2CCOCC2)n3C)N(C4=O)C | InChi: | InChI=1S/C18H19Cl2N5O3/c1-22-14-15(21-17(22)24-5-7-28-8-6-24)23(2)18(27)25(16(14)26)10-11-3-4-12(19)13(20)9-11/h3-4,9H,5-8,10H2,1-2H3 | Definition date: | 2009-04-27 | Last modified: | 2011-06-04 | Identifier: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione |
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![1BH 1BH](https://data.pdbj.org/pdbjplus/data/cc/svg/1BH.svg) | 1BH | Name: | N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-4-PHENYL-BUTAN-2-OL | Formula: | C26 H33 N3 O5 | SMILES: | O=C(NC(Cc1ccccc1)C(O)C)C3N(C(=O)C(NC(=O)OCc2ccccc2)C)CCC3 | InChi: | InChI=1S/C26H33N3O5/c1-18(27-26(33)34-17-21-12-7-4-8-13-21)25(32)29-15-9-14-23(29)24(31)28-22(19(2)30)16-20-10-5-3-6-11-20/h3-8,10-13,18-19,22-23,30H,9,14-17H2,1-2H3,(H,27,33)(H,28,31)/t18-,19+,22-,23-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-prolinamide |
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![1C2 1C2](https://data.pdbj.org/pdbjplus/data/cc/svg/1C2.svg) | 1C2 | Name: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER | Formula: | C16 H23 N3 O6 S | SMILES: | O=S(=O)(O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C(C(=O)NC)C2 | InChi: | InChI=1S/C16H23N3O6S/c1-16(2,3)25-15(21)19-9-11-7-12(18-26(22,23)24)6-5-10(11)8-13(19)14(20)17-4/h5-7,13,18H,8-9H2,1-4H3,(H,17,20)(H,22,23,24)/t13-/m0/s1 | Definition date: | 2005-12-02 | Last modified: | 2011-06-04 | Identifier: | [(3S)-2-(tert-butoxycarbonyl)-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid |
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![BBQ BBQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BBQ.svg) | BBQ | Name: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE | Formula: | C32 H44 B N4 O9 | SMILES: | CC(C)(C)[CH](NC(=O)OC1CCCC1)C(=O)N2C[CH](C[CH]2C(=O)N[CH]3CCO[B]34OC[CH](O)CO4)Oc5nccc6ccccc56 | InChi: | InChI=1S/C32H44BN4O9/c1-32(2,3)27(36-31(41)46-22-9-5-6-10-22)30(40)37-17-23(45-29-24-11-7-4-8-20(24)12-14-34-29)16-25(37)28(39)35-26-13-15-42-33(26)43-18-21(38)19-44-33/h4,7-8,11-12,14,21-23,25-27,38H,5-6,9-10,13,15-19H2,1-3H3,(H,35,39)(H,36,41)/t23-,25+,26+,27-/m1/s1 | Definition date: | 2010-04-22 | Last modified: | 2011-06-04 | Identifier: | cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-hydroxy-1,6,10-trioxa-5$l^{4}-boraspiro[4.5]decan-4-yl]carbamoyl]-4-isoquinolin-1-yloxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate |
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![LG8 LG8](https://data.pdbj.org/pdbjplus/data/cc/svg/LG8.svg) | LG8 | Name: | 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE | Formula: | C28 H28 N4 O2 | SMILES: | O=C3C(=C1C=[N+](c2ccccc12)C)C(C(=O)N3)=C5c4ccccc4[N+]6=C5CC(CN(C)C)CC6 | InChi: | InChI=1S/C28H27N4O2/c1-30(2)15-17-12-13-32-22-11-7-5-9-19(22)24(23(32)14-17)26-25(27(33)29-28(26)34)20-16-31(3)21-10-6-4-8-18(20)21/h4-11,16-17H,12-15H2,1-3H3/q+1/p+1/b25-20+,26-24+/t17-/m1/s1 | Definition date: | 2007-01-16 | Last modified: | 2011-06-04 | Identifier: | (8R,10E)-8-[(dimethylamino)methyl]-10-[(4Z)-4-(1-methyl-3H-indolium-3-ylidene)-2,5-dioxopyrrolidin-3-ylidene]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]indolium |
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![BBZ BBZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BBZ.svg) | BBZ | Name: | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | Formula: | C27 H29 N7 | SMILES: | n2c(c1ccc(N(C)C)cc1)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6 | InChi: | InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | N,N-dimethyl-4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]aniline |
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![1DM 1DM](https://data.pdbj.org/pdbjplus/data/cc/svg/1DM.svg) | 1DM | Name: | N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | Formula: | C24 H36 N4 O11 | SMILES: | [O-][N+](=O)c4cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NC(CN2CCOCC2)CN3CCOCC3)c4 | InChi: | InChI=1S/C24H36N4O11/c29-14-19-20(30)21(31)22(32)24(39-19)38-18-10-15(9-17(11-18)28(34)35)23(33)25-16(12-26-1-5-36-6-2-26)13-27-3-7-37-8-4-27/h9-11,16,19-22,24,29-32H,1-8,12-14H2,(H,25,33)/t19-,20+,21+,22-,24+/m1/s1 | Definition date: | 2003-07-17 | Last modified: | 2011-06-04 | Identifier: | 3-(alpha-D-galactopyranosyloxy)-N-[2-morpholin-4-yl-1-(morpholin-4-ylmethyl)ethyl]-5-nitrobenzamide |
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![BCQ BCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/BCQ.svg) | BCQ | Name: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | Formula: | C31 H42 N4 O8 S2 | SMILES: | O=S(=O)(CC1=C(NOC1C)C)CC(C(=O)NC(CCS(=O)(=O)c2ccccc2)CCc3ccccc3)NC(=O)N4CCOCC4 | InChi: | InChI=1S/C31H42N4O8S2/c1-23-28(24(2)43-34-23)21-44(38,39)22-29(33-31(37)35-16-18-42-19-17-35)30(36)32-26(14-13-25-9-5-3-6-10-25)15-20-45(40,41)27-11-7-4-8-12-27/h3-12,24,26,29,34H,13-22H2,1-2H3,(H,32,36)(H,33,37)/t24-,26-,29-/m0/s1 | Definition date: | 2006-02-08 | Last modified: | 2011-06-04 | Identifier: | N-[(1R)-1-[({[(5S)-3,5-dimethyl-2,5-dihydroisoxazol-4-yl]methyl}sulfonyl)methyl]-2-oxo-2-({(1S)-3-phenyl-1-[2-(phenylsulfonyl)ethyl]propyl}amino)ethyl]morpholine-4-carboxamide |
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![LI2 LI2](https://data.pdbj.org/pdbjplus/data/cc/svg/LI2.svg) | LI2 | Name: | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3-(2-PYRIDIN-4-YLETHYL)-1H-INDOL-5-YL]BENZAMIDE | Formula: | C26 H25 F N4 O2 | SMILES: | O=C(Nc2cc1c(cnc1cc2)CCc3ccncc3)c4cc(cc(F)c4)N5CCOCC5 | InChi: | InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32) | Definition date: | 2004-11-05 | Last modified: | 2011-06-04 | Identifier: | 3-fluoro-5-morpholin-4-yl-N-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]benzamide |
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![BDK BDK](https://data.pdbj.org/pdbjplus/data/cc/svg/BDK.svg) | BDK | Name: | 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE | Formula: | C23 H30 F2 N6 O5 S | SMILES: | O=C(NCCN1CCOCC1)C(F)(F)C(=O)C(NC(=O)CN2C(=NC=C(N)C2=O)c3sccc3)C(C)C | InChi: | InChI=1S/C23H30F2N6O5S/c1-14(2)18(19(33)23(24,25)22(35)27-5-6-30-7-9-36-10-8-30)29-17(32)13-31-20(16-4-3-11-37-16)28-12-15(26)21(31)34/h3-4,11-12,14,18H,5-10,13,26H2,1-2H3,(H,27,35)(H,29,32)/t18-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4S)-4-{[(5-amino-6-oxo-2-thiophen-2-ylpyrimidin-1(6H)-yl)acetyl]amino}-2,2-difluoro-5-methyl-N-(2-morpholin-4-ylethyl)-3-oxohexanamide |
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![LI3 LI3](https://data.pdbj.org/pdbjplus/data/cc/svg/LI3.svg) | LI3 | Name: | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-4-YLBENZAMIDE | Formula: | C19 H18 F N3 O2 | SMILES: | O=C(Nc2cc1ccnc1cc2)c3cc(cc(F)c3)N4CCOCC4 | InChi: | InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24) | Definition date: | 2004-11-05 | Last modified: | 2011-06-04 | Identifier: | 3-fluoro-N-1H-indol-5-yl-5-morpholin-4-ylbenzamide |
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![LI6 LI6](https://data.pdbj.org/pdbjplus/data/cc/svg/LI6.svg) | LI6 | Name: | 3,4-DIHYDROXY-1-METHYLQUINOLIN-2(1H)-ONE | Formula: | C10 H9 N O3 | SMILES: | O=C2C(O)=C(O)c1c(cccc1)N2C | InChi: | InChI=1S/C10H9NO3/c1-11-7-5-3-2-4-6(7)8(12)9(13)10(11)14/h2-5,12-13H,1H3 | Definition date: | 2005-03-07 | Last modified: | 2011-06-04 | Identifier: | 3,4-dihydroxy-1-methylquinolin-2(1H)-one |
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![LIO LIO](https://data.pdbj.org/pdbjplus/data/cc/svg/LIO.svg) | LIO | Name: | [1-PENTADECANOYL-2-DECANOYL-GLYCEROL-3-YL]PHOSPHONYL CHOLINE | Formula: | C33 H67 N O8 P | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCCCCCCC)CCCCCCCCC | InChi: | InChI=1S/C33H66NO8P/c1-6-8-10-12-14-15-16-17-18-20-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34(3,4)5)42-33(36)26-24-22-19-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1 | Definition date: | 1999-12-15 | Last modified: | 2011-06-04 | Identifier: | (4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphatetracosan-1-aminium 4-oxide |
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![BE9 BE9](https://data.pdbj.org/pdbjplus/data/cc/svg/BE9.svg) | BE9 | Name: | phenyl N-sulfamoylmorpholine-4-carboximidoate | Formula: | C11 H15 N3 O4 S | SMILES: | O=S(=O)(/N=C(Oc1ccccc1)N2CCOCC2)N | InChi: | InChI=1S/C11H15N3O4S/c12-19(15,16)13-11(14-6-8-17-9-7-14)18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,12,15,16)/b13-11- | Definition date: | 2010-03-09 | Last modified: | 2011-06-04 | Identifier: | phenyl N-sulfamoylmorpholine-4-carboximidoate |
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![LIY LIY](https://data.pdbj.org/pdbjplus/data/cc/svg/LIY.svg) | LIY | Name: | 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE | Formula: | C25 H31 N5 O | SMILES: | n4c(c(c1ccc3c(c1)N(C(c2ccccc2)CC3)CCCOC)c(nc4N)N)CC | InChi: | InChI=1S/C25H31N5O/c1-3-20-23(24(26)29-25(27)28-20)19-11-10-18-12-13-21(17-8-5-4-6-9-17)30(22(18)16-19)14-7-15-31-2/h4-6,8-11,16,21H,3,7,12-15H2,1-2H3,(H4,26,27,28,29)/t21-/m0/s1 | Definition date: | 2006-10-04 | Last modified: | 2011-06-04 | Identifier: | 6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine |
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![BER BER](https://data.pdbj.org/pdbjplus/data/cc/svg/BER.svg) | BER | Name: | BERBERINE | Formula: | C20 H18 N O4 | SMILES: | O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)c3c[n+]4CC5 | InChi: | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | Definition date: | 2001-09-12 | Last modified: | 2011-06-04 | Identifier: | 9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium |
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![BF5 BF5](https://data.pdbj.org/pdbjplus/data/cc/svg/BF5.svg) | BF5 | Name: | (3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE | Formula: | C17 H19 F N4 O4 | SMILES: | [O-]C(=O)C=1C(O)=C4C=2N(C=1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C | InChi: | InChI=1S/C17H21FN4O4/c1-9-8-26-16-13-10(15(23)11(17(24)25)7-22(9)13)6-12(18)14(16)20-2-4-21(19)5-3-20/h7,9,23H,2-6,8,19H2,1H3,(H,24,25)/p-1/t9-/m0/s1 | Definition date: | 2010-06-08 | Last modified: | 2011-06-04 | Identifier: | (3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate |
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![BG3 BG3](https://data.pdbj.org/pdbjplus/data/cc/svg/BG3.svg) | BG3 | Name: | 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID | Formula: | C6 H11 N O5 S | SMILES: | O=S(=O)(O)C1NC(C(=O)O)C(C)C1 | InChi: | InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1 | Definition date: | 2004-07-14 | Last modified: | 2011-06-04 | Identifier: | (3R,5S)-3-methyl-5-sulfo-D-proline |
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![BG4 BG4](https://data.pdbj.org/pdbjplus/data/cc/svg/BG4.svg) | BG4 | Name: | 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID | Formula: | C7 H14 N2 O3 | SMILES: | O=C(O)C1NC(N(O)C)CC1C | InChi: | InChI=1S/C7H14N2O3/c1-4-3-5(9(2)12)8-6(4)7(10)11/h4-6,8,12H,3H2,1-2H3,(H,10,11)/t4-,5-,6-/m1/s1 | Definition date: | 2004-07-14 | Last modified: | 2011-06-04 | Identifier: | (3R,5R)-5-[hydroxy(methyl)amino]-3-methyl-D-proline |
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