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DJO
DJO
Name:(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
Formula:C17 H17 N O3
SMILES:OC[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3
InChi:InChI=1S/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2/t15-/m0/s1
Synonyms:Benzyl 2-(Hydroxymethyl)-1-Indolinecarboxylate
Definition date:2019-08-02
Last modified:2021-03-01
Release date:2020-03-25
Identifier:(phenylmethyl) (2~{S})-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate
DJU
DJU
Name:N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Formula:C18 H20 N2 O
SMILES:CN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChi:InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
Synonyms:5-Benzyloxygramine
Definition date:2019-08-02
Last modified:2021-03-01
Release date:2020-03-25
Identifier:~{N},~{N}-dimethyl-1-(5-phenylmethoxy-1~{H}-indol-3-yl)methanamine
DJX
DJX
Name:N-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
Formula:C19 H23 N7 S
SMILES:CCN1CCN(CC1)c2cc(Nc3sc(cn3)c4ccncc4)nc(C)n2
InChi:InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)
Synonyms:6-(4-ethylpiperazin-1-yl)-2-methyl-N-(5-(pyridin-4-yl)thiazol-2-yl)pyrimidin-4-amine
Definition date:2019-08-02
Last modified:2021-03-01
Release date:2019-11-27
Identifier:~{N}-[6-(4-ethylpiperazin-1-yl)-2-methyl-pyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
NOG
NOG
Name:13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE
Formula:C21 H28 O2
SMILES:O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC)CC4
InChi:InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
Synonyms:NORGESTREL
Definition date:2002-04-29
Last modified:2021-03-01
Identifier:(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)
DKW
DKW
Name:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide
Formula:C13 H14 N6 O4
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC#C
InChi:InChI=1S/C13H14N6O4/c1-2-3-15-12(22)9-7(20)8(21)13(23-9)19-5-18-6-10(14)16-4-17-11(6)19/h1,4-5,7-9,13,20-21H,3H2,(H,15,22)(H2,14,16,17)/t7-,8+,9-,13+/m0/s1
Synonyms:6-CARBOXYMETHYLURACIL
Definition date:2018-01-23
Last modified:2021-03-01
Release date:2019-02-06
Identifier:(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide
DL5
DL5
Name:Spiro(2,4,6-trinitrobenzene[1,2a]-O2',O3'-methylene-adenosine (beta,gamma-methylene)triphosphate
Formula:C17 H19 N8 O18 P3
SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH]4O[C]5(O[CH]34)C(=C[C](C=C5[N+]([O-])=O)=[N+](O)[O-])[N+]([O-])=O
InChi:InChI=1S/C17H19N8O18P3/c18-14-11-15(20-4-19-14)22(5-21-11)16-13-12(8(40-16)3-39-46(37,38)43-45(35,36)6-44(32,33)34)41-17(42-13)9(24(28)29)1-7(23(26)27)2-10(17)25(30)31/h1-2,4-5,8,12-13,16H,3,6H2,(H,26,27)(H,35,36)(H,37,38)(H2,18,19,20)(H2,32,33,34)/t8-,12-,13-,16-/m1/s1
Synonyms:TNP-AMPPCP
Definition date:2015-06-03
Last modified:2021-03-01
Release date:2016-04-13
Identifier:(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-3',5'-dinitro-N-oxidanyl-6-[[oxidanyl-[oxidanyl(phosphonomethyl)phosphoryl]oxy-phosphoryl]oxymethyl]spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,4'-cyclohexa-2,5-diene]-1'-imine oxide
DLM
DLM
Name:3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
Formula:C15 H11 O7
SMILES:Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
InChi:InChI=1S/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
Synonyms:Delphinidin
Definition date:2014-10-15
Last modified:2021-03-01
Release date:2015-01-21
Identifier:3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium
DLP
DLP
Name:1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:C44 H80 N O8 P
SMILES:O=C(OCC(OC(=O)CCCCCCCC=C/CC=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCC=C/CC=C/CCCCC
InChi:InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
Synonyms:DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE
Definition date:2002-05-13
Last modified:2021-03-01
Identifier:(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
NPX
NPX
Name:(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
Formula:C14 H14 O3
SMILES:O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
InChi:InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
Synonyms:(R)-Naproxen
Definition date:2007-10-04
Last modified:2021-03-01
Identifier:(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid
DLU
DLU
Name:(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
Formula:C20 H19 F2 N3 O5
SMILES:Fc1ccc(c(F)c1)CNC(=O)C4=CN3C(C(=O)N2C(CCOC2C3)C)=C(O)C4=O
InChi:InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
Synonyms:Dolutegravir
Definition date:2011-05-23
Last modified:2021-03-01
Identifier:(4R,12aS)-N-(2,4-difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
DM2
DM2
Name:DOXORUBICIN
Formula:C27 H29 N O11
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(N)C4)C
InChi:InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
Synonyms:ADRIAMYCIN
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
DM6
DM6
Name:4'-EPIDOXORUBICIN
Formula:C27 H30 N O11
SMILES:O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)CO)CC5OC4OC(C(O)C(C4)[NH3+])C
InChi:InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22-,27-/m0/s1
Synonyms:4'-EPIADRIAMYCIN
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside
DMC
DMC
Name:3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID
Formula:C14 H19 N O3
SMILES:O=C(O)/C(=C/c1ccc(cc1O)N(CC)CC)C
InChi:InChI=1S/C14H19NO3/c1-4-15(5-2)12-7-6-11(13(16)9-12)8-10(3)14(17)18/h6-9,16H,4-5H2,1-3H3,(H,17,18)/b10-8+
Synonyms:PARA-DIETHYLAMINO-O-HYDROXY-ALPHA-METHYL CINNAMIC ACID
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2E)-3-[4-(diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid
DMQ
DMQ
Name:[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE
Formula:C33 H36 N4 O3
SMILES:O=C1N(C(C(O)C(O)C(N1Cc2cccc(N)c2)Cc3ccccc3)Cc4ccccc4)Cc5cccc(N)c5
InChi:InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1
Synonyms:DMP450(INHIBITOR OF DUPONT MERCK)
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-one
DMU
DMU
Name:DECYL-BETA-D-MALTOPYRANOSIDE
Formula:C22 H42 O11
SMILES:O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:InChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
Synonyms:DECYLMALTOSIDE
Definition date:2003-12-02
Last modified:2021-03-01
Identifier:decyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
DMZ
DMZ
Name:4-METHYL-N-METHYL-N-(2-PHENYL-2H-PYRAZOL-3-YL)BENZENESULFONAMIDE
Formula:C17 H17 N3 O2 S
SMILES:O=S(=O)(c1ccc(cc1)C)N(c3ccnn3c2ccccc2)C
InChi:InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
Synonyms:DIMETHYLSULFAPHENAZOLE
Definition date:2002-11-22
Last modified:2021-03-01
Identifier:N,4-dimethyl-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
DN2
DN2
Name:3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID
Formula:C26 H31 F2 N3 O7 S
SMILES:O=C(O)C(O)C(NC(=O)C(NC(=O)C2(Nc1ccccc1C2)Cc3c(scc3)C(=O)O)CC(C)C)CC(F)F
InChi:InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20+,26-/m0/s1
Synonyms:PEPTIDOMIMETIC INHIBITOR
Definition date:2004-07-14
Last modified:2021-03-01
Identifier:3-{[N-({(2S)-2-[(2-carboxythiophen-3-yl)methyl]-2,3-dihydro-1H-indol-2-yl}carbonyl)-L-leucyl]amino}-3,4,5-trideoxy-5,5-difluoro-L-threo-pentonic acid
DNB
DNB
Name:(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
Formula:C11 H17 N3 O3
SMILES:OC2C(c1ccc(N)c(N)c1)NC(CO)C2O
InChi:InChI=1S/C11H17N3O3/c12-6-2-1-5(3-7(6)13)9-11(17)10(16)8(4-15)14-9/h1-3,8-11,14-17H,4,12-13H2/t8-,9+,10-,11+/m1/s1
Synonyms:Diaminophenyl iminoribitol
Definition date:2009-02-12
Last modified:2021-03-01
Identifier:(2S,3S,4R,5R)-2-(3,4-diaminophenyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
1IQ
1IQ
Name:2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-3-CARBOXYLIC ACID
Formula:C17 H17 N3 O3
SMILES:O=C(O)c2c(nc1ccccc1c2)C3=NC(C(=O)N3)(C(C)C)C
InChi:InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1
Synonyms:IMAZAQUIN
Definition date:2005-04-04
Last modified:2021-03-01
Identifier:2-[(4R)-4-methyl-4-(1-methylethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid
NRN
NRN
Name:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
Formula:C10 H13 N5 O3
SMILES:Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](O)[CH]3O
InChi:InChI=1S/C10H13N5O3/c11-9-6-10(13-2-12-9)15(3-14-6)4-1-5(16)8(18)7(4)17/h2-5,7-8,16-18H,1H2,(H2,11,12,13)/t4-,5+,7+,8-/m1/s1
Synonyms:noraristeromycin
Definition date:2015-07-31
Last modified:2021-03-01
Release date:2016-07-27
Identifier:(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol
DNQ
DNQ
Name:6,7-DINITROQUINOXALINE-2,3-DIONE
Formula:C8 H2 N4 O6
SMILES:[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
InChi:InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
Synonyms:DNQX
Definition date:2000-09-27
Last modified:2021-03-01
Identifier:6,7-dinitroquinoxaline-2,3-dione
NSK
NSK
Name:N-SUCCINYL LYSINE
Formula:C10 H18 N2 O5
SMILES:O=C(NC(C(=O)O)CCCCN)CCC(=O)O
InChi:InChI=1S/C10H18N2O5/c11-6-2-1-3-7(10(16)17)12-8(13)4-5-9(14)15/h7H,1-6,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1
Synonyms:N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE
Definition date:2007-04-05
Last modified:2021-03-01
Identifier:N~2~-(3-carboxypropanoyl)-L-lysine
NSL
NSL
Name:4-Hydroxyazobenzene
Formula:C12 H10 N2 O
SMILES:c1ccc(cc1)N=Nc2ccc(O)cc2
InChi:InChI=1S/C12H10N2O/c15-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9,15H/b14-13+
Synonyms:4-[(E)-phenyldiazenyl]phenol
Definition date:2019-04-15
Last modified:2021-03-01
Release date:2019-07-24
Identifier:4-[(E)-phenyldiazenyl]phenol
DOI
DOI
Name:9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-6-(PHOSPHONOOXY)-9H-PURINE
Formula:C10 H14 N4 O10 P2
SMILES:O=P(O)(O)Oc3ncnc1c3ncn1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C10H14N4O10P2/c15-5-1-7(23-6(5)2-22-25(16,17)18)14-4-13-8-9(14)11-3-12-10(8)24-26(19,20)21/h3-7,15H,1-2H2,(H2,16,17,18)(H2,19,20,21)/t5-,6+,7+/m0/s1
Synonyms:2'-DEOXY-IMP
Definition date:2006-03-16
Last modified:2021-03-01
Identifier:9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(phosphonooxy)-9H-purine
DOL
DOL
Name:5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE
Formula:C34 H50 N4 O9 S
SMILES:O=S(=O)(CCN(CC)CC)C3CCN2C(=O)c1nc(oc1)CC(=O)CC(O)C=C(C=CCNC(=O)C=CC(C)C(OC(=O)C23)C(C)C)C
InChi:InChI=1S/C34H50N4O9S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41)/b10-9+,12-11+,23-18+/t24-,25-,28-,31-,32-/m1/s1
Synonyms:DALFOPRISTIN
Definition date:2002-09-26
Last modified:2021-03-01
Identifier:(3R,4R,5E,10E,12E,14S,26R,26aS)-26-{[2-(diethylamino)ethyl]sulfonyl}-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone

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