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5AA
5AA
Name:N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE
Formula:C12 H19 N6 O6 P
SMILES:O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N
InChi:InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1
Synonyms:PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE
Definition date:2004-12-29
Last modified:2021-03-01
Identifier:3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate)
B89
B89
Name:(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one
Formula:C17 H24 Cl N O4
SMILES:Cl[C@H]=CCON=C(C=2C(=O)CC(C1CCOCC1)CC=2O)CC
InChi:InChI=1S/C17H24ClNO4/c1-2-14(19-23-7-3-6-18)17-15(20)10-13(11-16(17)21)12-4-8-22-9-5-12/h3,6,12-13,20H,2,4-5,7-11H2,1H3/b6-3+,19-14+/t13-/m0/s1
Synonyms:tepraloxydim
Definition date:2009-10-19
Last modified:2021-03-01
Identifier:(5S)-2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-3-hydroxy-5-(tetrahydro-2H-pyran-4-yl)cyclohex-2-en-1-one
5AE
5AE
Name:4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
Formula:C8 H12 N4 O5
SMILES:O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N
InChi:InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Synonyms:5-azacytidine
Definition date:2014-05-19
Last modified:2021-03-01
Release date:2014-06-25
Identifier:4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one
B8L
B8L
Name:3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
Formula:C32 H36 N2 O7
SMILES:O=C(c1cc(OC)ccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)c(c3)C(C)CC
InChi:InChI=1S/C32H36N2O7/c1-4-19(2)24-16-22(11-13-27(24)35)31(38)34-26-18-33-15-5-6-29(26)41-32(39)21-9-7-20(8-10-21)30(37)25-17-23(40-3)12-14-28(25)36/h7-14,16-17,19,26,29,33,35-36H,4-6,15,18H2,1-3H3,(H,34,38)/t19-,26+,29+/m0/s1
Synonyms:BALANOL ANALOG 8
Definition date:2003-12-03
Last modified:2021-03-01
Identifier:(3R,4R)-3-[({4-hydroxy-3-[(1S)-1-methylpropyl]phenyl}carbonyl)amino]azepan-4-yl 4-[(2-hydroxy-5-methoxyphenyl)carbonyl]benzoate
5AL
5AL
Name:5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
Formula:C13 H19 N6 O8 P
SMILES:O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1
Synonyms:Alanyl Adenylate
Definition date:2009-06-25
Last modified:2021-03-01
Identifier:5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine
5AZ
5AZ
Name:6-amino-1,3,5-triazin-2(1H)-one
Formula:C3 H4 N4 O
SMILES:NC1=NC=NC(=O)N1
InChi:InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
Synonyms:5-Azacytosine
Definition date:2010-01-08
Last modified:2021-03-01
Identifier:6-azanyl-1H-1,3,5-triazin-2-one
5BQ
5BQ
Name:2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
Formula:C14 H13 Cl O5 S
SMILES:O=C1C(C(CCC1)=O)C(=O)c2ccc(cc2Cl)S(=O)(C)=O
InChi:InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Synonyms:Sulcotrione
Definition date:2015-09-03
Last modified:2021-03-01
Release date:2016-09-07
Identifier:2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
BA5
BA5
Name:methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
Formula:C10 H9 N3 O4
SMILES:COC(=O)C1=C(N)c2cccnc2N(O)C1=O
InChi:InChI=1S/C10H9N3O4/c1-17-10(15)6-7(11)5-3-2-4-12-8(5)13(16)9(6)14/h2-4,16H,11H2,1H3
Synonyms:XZ462
Definition date:2017-09-29
Last modified:2021-03-01
Release date:2018-04-11
Identifier:methyl 4-azanyl-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxylate
BAG
BAG
Name:N-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-2-HYDROXYVINYL]BENZAMIDE
Formula:C13 H19 N5 O2
SMILES:O=C(N/C(=C(/O)N)CCCNC(=[N@H])N)c1ccccc1
InChi:InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,19H,4,7-8,14H2,(H,18,20)(H4,15,16,17)
Synonyms:BENZOYL-L-ARGININE AMIDE
Definition date:2004-05-13
Last modified:2021-03-01
Identifier:N-{(1E)-1-[amino(hydroxy)methylidene]-4-carbamimidamidobutyl}benzamide
BB1
BB1
Name:2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE
Formula:C16 H31 N3 O4
SMILES:O=C(N(C)C)C(NC(=O)C(CCCC)CN(O)C=O)C(C)(C)C
InChi:InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
Synonyms:BB-3497
Definition date:2000-10-22
Last modified:2021-03-01
Identifier:(2R)-N-[(1S)-1-(dimethylcarbamoyl)-2,2-dimethylpropyl]-2-{[formyl(hydroxy)amino]methyl}hexanamide
BB2
BB2
Name:ACTINONIN
Formula:C19 H35 N3 O5
SMILES:O=C(N1C(CO)CCC1)C(NC(=O)C(CC(=O)NO)CCCCC)C(C)C
InChi:InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1
Synonyms:2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEPTANOIC ACID [1-(2-HYDROXYMETHYL-PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL]-AMIDE
Definition date:2000-10-23
Last modified:2021-03-01
Identifier:(2R)-N~4~-hydroxy-N~1~-[(1S)-1-{[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-2-methylpropyl]-2-pentylbutanediamide
BBA
BBA
Name:2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE
Formula:C23 H28 N4 O
SMILES:O=C1C(CCCCC1Cc2ccc(C(=[N@H])N)cc2)Cc3ccc(C(=[N@H])N)cc3
InChi:InChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1
Synonyms:BIS-BENZAMIDINE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamide
5DK
5DK
Name:(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine
Formula:C14 H22 N5 O7 P
SMILES:c1(C)ncc(c(c1O)/C=N/C(CCCN/C(N)=N)C(O)=O)COP(O)(O)=O
InChi:InChI=1S/C14H22N5O7P/c1-8-12(20)10(9(5-18-8)7-26-27(23,24)25)6-19-11(13(21)22)3-2-4-17-14(15)16/h5-6,11,20H,2-4,7H2,1H3,(H,21,22)(H4,15,16,17)(H2,23,24,25)/b19-6+/t11-/m1/s1
Synonyms:PLP-DArg
Definition date:2015-09-09
Last modified:2021-03-01
Release date:2015-11-25
Identifier:(E)-N~2~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-D-arginine
5DL
5DL
Name:[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
Formula:C5 H10 N3 O4 P
SMILES:n1cncn1CC(CP(O)(O)=O)O
InChi:InChI=1S/C5H10N3O4P/c9-5(2-13(10,11)12)1-8-4-6-3-7-8/h3-5,9H,1-2H2,(H2,10,11,12)/t5-/m0/s1
Synonyms:(S)-C348
Definition date:2015-09-10
Last modified:2021-03-01
Release date:2016-09-28
Identifier:[(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
BCH
BCH
Name:2-(BUTYRYLSULFANYL)-N,N,N-TRIMETHYLETHANAMINIUM
Formula:C9 H20 N O S
SMILES:O=C(SCC[N+](C)(C)C)CCC
InChi:InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1
Synonyms:BUTYRYLTHIOCHOLINE
Definition date:2003-04-17
Last modified:2021-03-01
Identifier:2-(butanoylsulfanyl)-N,N,N-trimethylethanaminium
BD2
BD2
Name:3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
Formula:C27 H26 N2 O6
SMILES:O=C(c1ccccc1O)c2ccc(cc2)C(=O)OC4CCCNCC4NC(=O)c3ccc(O)cc3
InChi:InChI=1S/C27H26N2O6/c30-20-13-11-18(12-14-20)26(33)29-22-16-28-15-3-6-24(22)35-27(34)19-9-7-17(8-10-19)25(32)21-4-1-2-5-23(21)31/h1-2,4-5,7-14,22,24,28,30-31H,3,6,15-16H2,(H,29,33)/t22-,24-/m1/s1
Synonyms:BALANOL ANALOG 2
Definition date:2003-12-01
Last modified:2021-03-01
Identifier:(3R,4R)-3-{[(4-hydroxyphenyl)carbonyl]amino}azepan-4-yl 4-[(2-hydroxyphenyl)carbonyl]benzoate
BDA
BDA
Name:4-METHYLBENZYL-N-BIS[DAUNOMYCIN]
Formula:C62 H66 N2 O20
SMILES:O=C2c1c(O)c%11c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)CC%11OC4OC(C)C(O)C(C4)[NH2+]Cc5ccc(cc5)C[NH2+]C%10C(O)C(OC(OC9c8c(O)c7C(=O)c6c(OC)cccc6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)C%10)C
InChi:InChI=1S/C62H64N2O20/c1-25-51(67)35(17-41(81-25)83-39-21-61(77,27(3)65)19-33-45(39)59(75)49-47(55(33)71)53(69)31-9-7-11-37(79-5)43(31)57(49)73)63-23-29-13-15-30(16-14-29)24-64-36-18-42(82-26(2)52(36)68)84-40-22-62(78,28(4)66)20-34-46(40)60(76)50-48(56(34)72)54(70)32-10-8-12-38(80-6)44(32)58(50)74/h7-16,25-26,35-36,39-42,51-52,63-64,67-68,71-72,75-78H,17-24H2,1-6H3/p+2/t25-,26-,35-,36-,39-,40-,41-,42-,51+,52+,61-,62-/m0/s1
Synonyms:WP631
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:(2S,3S,4S,6R,2'S,3'S,4'S,6'R)-N,N'-(benzene-1,4-diyldimethanediyl)bis(6-{[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyltetrahydro-2H-pyran-4-aminium) (non-preferred name)
BDC
BDC
Name:BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE
Formula:C44 H54 N8 O2
SMILES:O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6
InChi:InChI=1S/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54)
Synonyms:BIS-DACA
Definition date:2001-10-12
Last modified:2021-03-01
Identifier:9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}
BE6
BE6
Name:(2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXANEDIAMIDE
Formula:C38 H36 F4 N2 O8
SMILES:Fc1cc(c(F)cc1)COC(C(=O)NC3c2ccccc2CC3O)C(O)C(O)C(OCc4cc(F)ccc4F)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H36F4N2O8/c39-23-9-11-27(41)21(13-23)17-51-35(37(49)43-31-25-7-3-1-5-19(25)15-29(31)45)33(47)34(48)36(52-18-22-14-24(40)10-12-28(22)42)38(50)44-32-26-8-4-2-6-20(26)16-30(32)46/h1-14,29-36,45-48H,15-18H2,(H,43,49)(H,44,50)/t29-,30-,31+,32+,33-,34-,35-,36-/m1/s1
Synonyms:HIV-1 INHIBITOR
Definition date:2004-08-10
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis[(2,5-difluorobenzyl)oxy]-3,4-dihydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BEA
BEA
Name:5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE
Formula:C9 H8 N3 S
SMILES:n2[nH+]c3sc1c(c(ccc1)C)n3c2
InChi:InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3/p+1
Synonyms:TRICYCLAZOLE
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium
BEE
BEE
Name:N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
Formula:C40 H50 N4 O8 S2
SMILES:O=C(NC)C(NC(=O)C(OCc2ccc(c1ccsc1)cc2)C(O)C(O)C(OCc4ccc(c3ccsc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C
InChi:InChI=1S/C40H50N4O8S2/c1-23(2)31(37(47)41-5)43-39(49)35(51-19-25-7-11-27(12-8-25)29-15-17-53-21-29)33(45)34(46)36(40(50)44-32(24(3)4)38(48)42-6)52-20-26-9-13-28(14-10-26)30-16-18-54-22-30/h7-18,21-24,31-36,45-46H,19-20H2,1-6H3,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-,33+,34+,35+,36+/m0/s1
Synonyms:INHIBITOR BEA409
Definition date:2000-01-31
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis[(4-thiophen-3-ylbenzyl)oxy]hexanediamide (non-preferred name)
BEG
BEG
Name:2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE]
Formula:C38 H40 N2 O7
SMILES:O=C(NC2c1ccccc1CC2O)C(OCc3ccccc3)CC(O)C(OCc4ccccc4)C(=O)NC6c5ccccc5CC6O
InChi:InChI=1S/C38H40N2O7/c41-30-19-26-15-7-9-17-28(26)34(30)39-37(44)33(46-22-24-11-3-1-4-12-24)21-32(43)36(47-23-25-13-5-2-6-14-25)38(45)40-35-29-18-10-8-16-27(29)20-31(35)42/h1-18,30-36,41-43H,19-23H2,(H,39,44)(H,40,45)/t30-,31-,32-,33-,34+,35+,36-/m1/s1
Synonyms:INHIBITOR BEA425
Definition date:1999-10-05
Last modified:2021-03-01
Identifier:(2R,3R,5R)-2,5-bis(benzyloxy)-3-hydroxy-N,N'-bis[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]hexanediamide (non-preferred name)
BEI
BEI
Name:N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE]
Formula:C34 H50 N4 O8
SMILES:O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2ccccc2)C(=O)NC(C(=O)NC)C(C)CC)C(C)CC
InChi:InChI=1S/C34H50N4O8/c1-7-21(3)25(31(41)35-5)37-33(43)29(45-19-23-15-11-9-12-16-23)27(39)28(40)30(46-20-24-17-13-10-14-18-24)34(44)38-26(22(4)8-2)32(42)36-6/h9-18,21-22,25-30,39-40H,7-8,19-20H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t21-,22-,25-,26-,27+,28+,29+,30+/m0/s1
Synonyms:INHIBITOR BEA322
Definition date:2000-01-31
Last modified:2021-03-01
Identifier:(2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N'-bis[(1S,2S)-2-methyl-1-(methylcarbamoyl)butyl]hexanediamide (non-preferred name)
BEU
BEU
Name:N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE
Formula:C9 H16 N2 O4
SMILES:O=C(NC1C(C=C(C(O)C1O)CO)N)C
InChi:InChI=1S/C9H16N2O4/c1-4(13)11-7-6(10)2-5(3-12)8(14)9(7)15/h2,6-9,12,14-15H,3,10H2,1H3,(H,11,13)/t6-,7+,8-,9-/m1/s1
Synonyms:2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
Definition date:2007-07-03
Last modified:2021-03-01
Identifier:N-[(1S,2R,5R,6R)-2-amino-5,6-dihydroxy-4-(hydroxymethyl)cyclohex-3-en-1-yl]acetamide
5H1
5H1
Name:1H-indol-5-ol
Formula:C8 H7 N O
SMILES:Oc1cc2c(cc1)ncc2
InChi:InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
Synonyms:5-hydroxyindole
Definition date:2009-01-20
Last modified:2021-03-01
Identifier:1H-indol-5-ol

245011

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