 | | TLZ | | Name: | D-altritol | | Formula: | C6 H14 O6 | | SMILES: | OC(C(O)CO)C(O)C(O)CO | | InChi: | InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6+/m1/s1 | | Synonyms: | D-talitol | | Definition date: | 2014-12-15 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | D-altritol |
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 | | LUI | | Name: | 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide | | Formula: | C22 H25 N3 O3 | | SMILES: | O=C(N)COc3ccc1c(C(=C(N(C1=O)CC(C)C)CN)c2ccccc2)c3 | | InChi: | InChI=1S/C22H25N3O3/c1-14(2)12-25-19(11-23)21(15-6-4-3-5-7-15)18-10-16(28-13-20(24)26)8-9-17(18)22(25)27/h3-10,14H,11-13,23H2,1-2H3,(H2,24,26) | | Synonyms: | TAK-285 | | Definition date: | 2010-09-02 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide |
|
 | | PYF | | Name: | 3-PYRIDINYLCARBINOL | | Formula: | C6 H7 N O | | SMILES: | OCc1cccnc1 | | InChi: | InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2 | | Synonyms: | PYRIDIN-3-YLMETHANOL | | Definition date: | 2003-09-29 | | Last modified: | 2020-06-17 | | Identifier: | pyridin-3-ylmethanol |
|
 | | LUJ | | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc
yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside | | Formula: | C26 H51 N5 O13 | | SMILES: | CCCC1C(CO)OC(C(C1O)N)OC2C(N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O)C4N)O)N | | InChi: | InChI=1S/C26H51N5O13/c1-2-3-8-12(6-32)40-24(14(30)16(8)34)42-21-10(29)4-9(28)17(35)23(21)44-26-20(38)22(13(7-33)41-26)43-25-15(31)19(37)18(36)11(5-27)39-25/h8-26,32-38H,2-7,27-31H2,1H3/t8-,9-,10+,11+,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26+/m1/s1 | | Synonyms: | propylamycin | | Definition date: | 2019-03-14 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-17 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside |
|
 | | LGZ | | Name: | CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN-
3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER | | Formula: | C36 H39 N3 O7 | | SMILES: | O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4CC5OC(=O)N)Cc6ccccc6 | | InChi: | InChI=1S/C36H39N3O7/c37-34(42)46-31-18-25-13-7-8-14-27(25)32(31)28-21-38-36(33(28)41,19-24-11-5-2-6-12-24)20-30(40)29(17-23-9-3-1-4-10-23)39-35(43)45-26-15-16-44-22-26/h1-14,21,26,29-32,38,40H,15-20,22H2,(H2,37,42)(H,39,43)/t26-,29+,30+,31-,32-,36+/m1/s1 | | Synonyms: | LGZ479 INHIBITOR | | Definition date: | 2003-01-21 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-tetrahydrofuran-3-yl [(1S,2S)-1-benzyl-3-{(2S)-2-benzyl-4-[(1R,2R)-2-(carbamoyloxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}-2-hydroxypropyl]carbamate |
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 | | LUQ | | Name: | N-(2-acetamido)-2-aminoethanesulfonic acid | | Formula: | C4 H10 N2 O4 S | | SMILES: | NC(=O)CNCC[S](O)(=O)=O | | InChi: | InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10) | | Synonyms: | N-(Carbamoylmethyl)taurine | | Definition date: | 2019-09-09 | | Last modified: | 2020-06-17 | | Release date: | 2019-12-18 | | Identifier: | 2-[(2-azanyl-2-oxidanylidene-ethyl)amino]ethanesulfonic acid |
|
 | | R7G | | Name: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6
-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid | | Formula: | C27 H28 N8 O12 S | | SMILES: | O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N | | InChi: | InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1 | | Synonyms: | YU253434 | | Definition date: | 2020-02-05 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
|
 | | TMH | | Name: | (+)-alpha-Pinene | | Formula: | C10 H16 | | SMILES: | C1(=CCC2CC1C2(C)C)C | | InChi: | InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1 | | Synonyms: | (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE | | Definition date: | 2002-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene |
|
 | | TMI | | Name: | 1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLE | | Formula: | C22 H18 N2 | | SMILES: | n1ccn(c1)C(c3ccc(c2ccccc2)cc3)c4ccccc4 | | InChi: | InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H/t22-/m0/s1 | | Synonyms: | BIFONAZOLE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(S)-biphenyl-4-yl(phenyl)methyl]-1H-imidazole |
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 | | ORE | | Name: | 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID | | Formula: | C21 H10 F2 O7 | | SMILES: | O=C(O)c4ccc(C=1c3c(OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=O)O)c4 | | InChi: | InChI=1S/C21H10F2O7/c22-13-4-11-17(6-15(13)24)30-18-7-16(25)14(23)5-12(18)19(11)9-2-1-8(20(26)27)3-10(9)21(28)29/h1-7,24H,(H,26,27)(H,28,29) | | Synonyms: | OREGON GREEN 488 CARBOXYLATE | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,7-difluoro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzene-1,3-dicarboxylic acid |
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 | | QED | | Name: | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2
-carboxamide) | | Formula: | C25 H28 N6 O9 | | SMILES: | O=C3C=CC=C(C(=O)NCCN(CCNC(=O)c1cccc(O)c1O)CCNC(=O)C2=CC=CC(=O)N2O)N3O | | InChi: | InChI=1S/C25H28N6O9/c32-19-7-1-4-16(22(19)35)23(36)26-10-13-29(14-11-27-24(37)17-5-2-8-20(33)30(17)39)15-12-28-25(38)18-6-3-9-21(34)31(18)40/h1-9,32,35,39-40H,10-15H2,(H,26,36)(H,27,37)(H,28,38) | | Synonyms: | tren mono-2,3-catecholamido bis-N-hydroxypyridin-2-one-6-amide | | Definition date: | 2009-06-19 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide) |
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 | | PYV | | Name: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide | | Formula: | C16 H13 Br N2 O2 S | | SMILES: | Brc2c1c(cccc1)c(cc2)S(=O)(=O)NCc3ncccc3 | | InChi: | InChI=1S/C16H13BrN2O2S/c17-15-8-9-16(14-7-2-1-6-13(14)15)22(20,21)19-11-12-5-3-4-10-18-12/h1-10,19H,11H2 | | Synonyms: | Pyrabactin | | Definition date: | 2010-06-09 | | Last modified: | 2020-06-17 | | Identifier: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide |
|
 | | LHA | | Name: | DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162 | | Formula: | C37 H65 N7 O16 | | SMILES: | O=C(NC5C(O)C(OC3OC(C(OC1OC(CN)C(O)C(O)C1N)C3OCCNCCc2ccccc2)CO)C(OC4OC(CO)C(O)C(O)C4N)C(N)C5)C(O)CCN | | InChi: | InChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1 | | Synonyms: | (2S)-4-AMINO-N-[(1R,2S,3R,4R,5S)-5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-3-{[3-O-(2,6-DIAMINO-2,6-DIDEO
XY-BETA-L-IDOPYRANOSYL)-2-O-{2-[(2-PHENYLETHYL)AMINO]ETHYL}-BETA-D-RIBOFURANOSYL]OXY}-2-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTA
NAMIDE | | Definition date: | 2007-06-05 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamide |
|
 | | MP2 | | Name: | N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE | | Formula: | C13 H16 N2 O5 S | | SMILES: | O=C(O)CNC(=O)C(NC(=O)OCc1ccccc1)CS | | InChi: | InChI=1S/C13H16N2O5S/c16-11(17)6-14-12(18)10(8-21)15-13(19)20-7-9-4-2-1-3-5-9/h1-5,10,21H,6-8H2,(H,14,18)(H,15,19)(H,16,17)/t10-/m0/s1 | | Synonyms: | N-CARBOBENZOXY-CYSTEINYL-GLYCINE | | Definition date: | 2006-02-02 | | Last modified: | 2020-06-17 | | Identifier: | N-[(benzyloxy)carbonyl]-L-cysteinylglycine |
|
 | | VA1 | | Name: | {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID | | Formula: | C11 H10 B N O4 S | | SMILES: | O=CN(C=O)Cc2cc1c(sc(c1)B(O)O)cc2 | | InChi: | InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2 | | Synonyms: | 5-DIFORMYLAMINOMETHYL-BENZO[B]THIOPHEN-2-BORONIC ACID | | Definition date: | 2006-09-01 | | Last modified: | 2020-06-17 | | Identifier: | {5-[(diformylamino)methyl]-1-benzothiophen-2-yl}boronic acid |
|
 | | MP9 | | Name: | 2-AMINO-3-[3-HYDROXY-5-(2-BENZYL-2H-5-TETRAZOLYL)-4-ISOXAZOLYL]-PROPIONIC ACID | | Formula: | C14 H14 N6 O4 | | SMILES: | O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)Cc3ccccc3 | | InChi: | InChI=1S/C14H14N6O4/c15-10(14(22)23)6-9-11(24-18-13(9)21)12-16-19-20(17-12)7-8-4-2-1-3-5-8/h1-5,10H,6-7,15H2,(H,18,21)(H,22,23)/t10-/m0/s1 | | Synonyms: | 3-[5-(2-BENZYL-2H-TETRAZOL-5-YL)-3-HYDROXYISOXAZOL-4-YL]-L-ALANINE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3-[5-(2-benzyl-2H-tetrazol-5-yl)-3-hydroxyisoxazol-4-yl]-L-alanine |
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 | | SF1 | | Name: | 1-BENZYL-5-CHLORO-3-(PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID | | Formula: | C22 H16 Cl N O2 S | | SMILES: | Clc1cc3c(cc1)n(c(c3Sc2ccccc2)C(=O)O)Cc4ccccc4 | | InChi: | InChI=1S/C22H16ClNO2S/c23-16-11-12-19-18(13-16)21(27-17-9-5-2-6-10-17)20(22(25)26)24(19)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,25,26) | | Synonyms: | SR145 | | Definition date: | 2007-06-25 | | Last modified: | 2020-06-17 | | Identifier: | 1-benzyl-5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylic acid |
|
 | | P6W | | Name: | pentanediamide | | Formula: | C5 H10 N2 O2 | | SMILES: | NC(=O)CCCC(N)=O | | InChi: | InChI=1S/C5H10N2O2/c6-4(8)2-1-3-5(7)9/h1-3H2,(H2,6,8)(H2,7,9) | | Synonyms: | Glutaramide | | Definition date: | 2020-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | pentanediamide |
|
 | | KPS | | Name: | pseudouridine 5'-phosphate, linear | | Formula: | C9 H15 N2 O9 P | | SMILES: | O=C1C(=CNC(=O)N1)CC(O)C(O)C(O)COP(=O)(O)O | | InChi: | InChI=1S/C9H15N2O9P/c12-5(1-4-2-10-9(16)11-8(4)15)7(14)6(13)3-20-21(17,18)19/h2,5-7,12-14H,1,3H2,(H2,17,18,19)(H2,10,11,15,16)/t5-,6+,7-/m0/s1 | | Synonyms: | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol | | Definition date: | 2012-08-16 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol |
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 | | PZH | | Name: | 1-(4-BROMOPHENYL)METHANAMINE | | Formula: | C7 H8 Br N | | SMILES: | Brc1ccc(cc1)CN | | InChi: | InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2 | | Synonyms: | 4-BROMOBENZYLAMINE | | Definition date: | 2006-07-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-19 | | Identifier: | 1-(4-bromophenyl)methanamine |
|
 | | PLQ | | Name: | 1,4-benzoquinone | | Formula: | C6 H4 O2 | | SMILES: | O=C1C=CC(=O)C=C1 | | InChi: | InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H | | Synonyms: | cyclohexa-2,5-diene-1,4-dione | | Definition date: | 2007-11-13 | | Last modified: | 2020-06-17 | | Identifier: | cyclohexa-2,5-diene-1,4-dione |
|
 | | KPV | | Name: | 5-PHENYL-2-KETO-VALERIC ACID | | Formula: | C11 H12 O3 | | SMILES: | O=C(O)C(=O)CCCc1ccccc1 | | InChi: | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) | | Synonyms: | 2-OXO-5-PHENYLPENTANOIC ACID | | Definition date: | 2007-06-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-oxo-5-phenylpentanoic acid |
|
 | | TNA | | Name: | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid | | Formula: | C13 H23 N3 O8 | | SMILES: | O=C(O)C(NCCC(NCCC(N)C(=O)O)C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C13H23N3O8/c14-7(11(19)20)3-5-15-9(13(23)24)4-6-16-8(12(21)22)1-2-10(17)18/h7-9,15-16H,1-6,14H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/t7-,8-,9-/m0/s1 | | Synonyms: | thermonicotianamine | | Definition date: | 2009-01-07 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]-L-glutamic acid |
|
 | | HBC | | Name: | (2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-2-YL)-PHENYL-METHANONE | | Formula: | C20 H21 N O | | SMILES: | O=C(c1ccccc1)C4(N)C2CCC(C2)C4c3ccccc3 | | InChi: | InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1 | | Synonyms: | BICYCLO[2.2.1]HEPTANE | | Definition date: | 2001-08-06 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2R,3S,4S)-2-amino-3-phenylbicyclo[2.2.1]hept-2-yl](phenyl)methanone |
|
 | | TAN | | Name: | 2,2-dimethylpropanenitrile | | Formula: | C5 H9 N | | SMILES: | CC(C)(C)C#N | | InChi: | InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 | | Synonyms: | Trimethylacetonitrile | | Definition date: | 2009-10-06 | | Last modified: | 2020-06-17 | | Identifier: | 2,2-dimethylpropanenitrile |
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