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NIL
NIL
Name:Nilotinib
Formula:C28 H22 F3 N7 O
SMILES:FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)NC(=O)c5ccc(c(Nc4nc(c3cccnc3)ccn4)c5)C
InChi:InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
Synonyms:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
Definition date:2008-04-11
Last modified:2021-03-01
Identifier:4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
P6G
P6G
Name:HEXAETHYLENE GLYCOL
Formula:C12 H26 O7
SMILES:O(CCO)CCOCCOCCOCCOCCO
InChi:InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
Synonyms:POLYETHYLENE GLYCOL PEG400
Definition date:2000-11-29
Last modified:2021-03-01
Identifier:3,6,9,12,15-pentaoxaheptadecane-1,17-diol
OCH
OCH
Name:QUINOLIN-2(1H)-ONE
Formula:C9 H7 N O
SMILES:O=C2C=Cc1c(cccc1)N2
InChi:InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
Synonyms:2-OXOQUINOLINE
Definition date:2005-03-17
Last modified:2021-03-01
Identifier:quinolin-2(1H)-one
U16
U16
Name:METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY-3-(4-ISOPROPYLPHENYL)PROPANOYL]-D-ALANYL-D-LEUCINATE
Formula:C22 H35 N3 O5
SMILES:O=C(OC)C(NC(=O)C(NC(=O)C(O)C(N)c1ccc(cc1)C(C)C)C)CC(C)C
InChi:InChI=1S/C22H35N3O5/c1-12(2)11-17(22(29)30-6)25-20(27)14(5)24-21(28)19(26)18(23)16-9-7-15(8-10-16)13(3)4/h7-10,12-14,17-19,26H,11,23H2,1-6H3,(H,24,28)(H,25,27)/t14-,17+,18+,19-/m0/s1
Synonyms:2-{2-[3-AMINO-2-HYDROXY-3-(4-ISOPROPYL-PHENYL)-PROPIONYLAMINO]-PROPIONYLAMINO}-4-METHYL-PENTANOIC ACID METHYL ESTER
Definition date:2006-04-03
Last modified:2021-03-01
Identifier:methyl N-{(2S,3R)-3-amino-2-hydroxy-3-[4-(1-methylethyl)phenyl]propanoyl}-L-alanyl-D-leucinate
MPH
MPH
Name:(1-AMINO-3-METHYLSULFANYL-PROPYL)-PHOSPHONIC ACID
Formula:C4 H12 N O3 P S
SMILES:O=P(O)(O)C(N)CCSC
InChi:InChI=1S/C4H12NO3PS/c1-10-3-2-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
Synonyms:METHIONINE PHOSPHONATE
Definition date:1999-07-28
Last modified:2021-03-01
Identifier:[(1R)-1-amino-3-(methylsulfanyl)propyl]phosphonic acid
XPE
XPE
Name:3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL
Formula:C20 H42 O11
SMILES:O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
Synonyms:DECAETHYLENE GLYCOL
Definition date:2004-06-23
Last modified:2021-03-01
Identifier:3,6,9,12,15,18,21,24,27-nonaoxanonacosane-1,29-diol
PL9
PL9
Name:2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE
Formula:C53 H80 O2
SMILES:O=C1C(=CC(=O)C(=C1C)C)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3
Synonyms:PLASTOQUINONE 9
Definition date:2001-06-25
Last modified:2021-03-01
Identifier:2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione
32H
32H
Name:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C14 H6 Br2 N2 O2 S
SMILES:Brc3ccc(c1c2C(O)=C(C#N)C(=O)Nc2sc1Br)cc3
InChi:InChI=1S/C14H6Br2N2O2S/c15-7-3-1-6(2-4-7)9-10-11(19)8(5-17)13(20)18-14(10)21-12(9)16/h1-4H,(H2,18,19,20)
Synonyms:Br2-A769662core
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
XPG
XPG
Name:7-[(1R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]heptanoic acid
Formula:C20 H34 O5
SMILES:O=C(O)CCCCCCC1C(=O)CC(O)C1/C=C/C(O)CCCCC
InChi:InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
Synonyms:Prostaglandin E1
Definition date:2013-09-17
Last modified:2021-03-01
Release date:2014-09-10
Identifier:(11alpha,12alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid
PLB
PLB
Name:2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID
Formula:C18 H11 Cl2 N3 O4
SMILES:Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3
InChi:InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
Synonyms:5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID
Definition date:2004-08-24
Last modified:2021-03-01
Identifier:2-{[(2,4-dichlorophenyl)carbonyl]amino}-5-(pyrimidin-2-yloxy)benzoic acid
32J
32J
Name:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
Formula:C20 H11 Cl N2 O3 S
SMILES:N#CC4=C(O)c1c(sc(Cl)c1c3ccc(c2ccccc2O)cc3)NC4=O
InChi:InChI=1S/C20H11ClN2O3S/c21-18-15(16-17(25)13(9-22)19(26)23-20(16)27-18)11-7-5-10(6-8-11)12-3-1-2-4-14(12)24/h1-8,24H,(H2,23,25,26)
Synonyms:Cl-A769662
Definition date:2014-05-23
Last modified:2021-03-01
Release date:2014-08-06
Identifier:2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile
NIZ
NIZ
Name:pyridine-4-carbohydrazide
Formula:C6 H7 N3 O
SMILES:O=C(NN)c1ccncc1
InChi:InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
Synonyms:isonicotinic acid hydrazid
Definition date:2010-05-21
Last modified:2021-03-01
Identifier:pyridine-4-carbohydrazide
UGA
UGA
Name:URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
Formula:C15 H22 N2 O18 P2
SMILES:O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O
InChi:InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1
Synonyms:UDP-GLUCURONIC ACID
Definition date:1999-12-13
Last modified:2021-03-01
Identifier:(2S,3S,4S,5R,6R)-6-{[(S)-{[(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}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
RZX
RZX
Name:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
Formula:C18 H21 N3 O3 S
SMILES:O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC)c3C
InChi:InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/t25-/m1/s1
Synonyms:Rabeprazole
Definition date:2010-11-09
Last modified:2021-03-01
Identifier:2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole
NXK
NXK
Name:2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid
Formula:C16 H15 B F N O6
SMILES:OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1
InChi:InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21)
Synonyms:2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
Definition date:2020-01-06
Last modified:2021-03-01
Release date:2021-01-27
Identifier:2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid
UGC
UGC
Name:(2S)-(carbamoylamino)(hydroxy)ethanoic acid
Formula:C3 H6 N2 O4
SMILES:O=C(O)C(O)NC(=O)N
InChi:InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
Synonyms:(S)-Ureidoglycolate
Definition date:2014-04-09
Last modified:2021-03-01
Release date:2014-07-23
Identifier:(2S)-(carbamoylamino)(hydroxy)ethanoic acid
U1K
U1K
Name:(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPRIONIC ACID
Formula:C10 H16 N2 O3 S
SMILES:[O-]c1nsc(c1CC(C(=O)O)[NH3+])C(C)(C)C
InChi:InChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
Synonyms:THIO-ATPA
Definition date:2003-08-05
Last modified:2021-03-01
Identifier:4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate
PLO
PLO
Name:(3BETA)-3-HYDROXYPREGN-5-EN-20-ONE
Formula:C21 H32 O2
SMILES:O=C(C)C2C1(CCC3C(C1CC2)CC=C4C3(CCC(O)C4)C)C
InChi:InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
Synonyms:PREGNENOLONE
Definition date:2003-07-31
Last modified:2021-03-01
Identifier:(3alpha,8alpha)-3-hydroxypregn-5-en-20-one
S02
S02
Name:PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER
Formula:C18 H31 O7 P
SMILES:O=P(O)(O)OCCOC2CC/C(=C/C=C1CCC(OCCO)CC1)CC2
InChi:InChI=1S/C18H31O7P/c19-11-12-23-17-7-3-15(4-8-17)1-2-16-5-9-18(10-6-16)24-13-14-25-26(20,21)22/h1-2,17-19H,3-14H2,(H2,20,21,22)/b15-1-,16-2-/t17-,18-/m1/s1
Synonyms:STILBENEDIETHER NUCLEOTIDE LINKER
Definition date:1999-08-18
Last modified:2021-03-01
Identifier:2-{[(1R,4Z)-4-{(2Z)-2-[(4R)-4-(2-hydroxyethoxy)cyclohexylidene]ethylidene}cyclohexyl]oxy}ethyl dihydrogen phosphate
ZXY
ZXY
Name:N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
Formula:C32 H30 N2 O11
SMILES:N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O)O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5ccc(c(c5)O)O
InChi:InChI=1S/C32H30N2O11/c35-19-15-25(40)28-26(16-19)45-30(18-6-8-22(37)24(39)14-18)31(29(28)42)44-12-2-10-33-32(43)20-3-1-11-34(20)27(41)9-5-17-4-7-21(36)23(38)13-17/h4-9,13-16,20,35-40H,1-3,10-12H2,(H,33,43)/b9-5+/t20-/m0/s1
Synonyms:Montbretin A analogue M06-MbA
Definition date:2019-03-25
Last modified:2021-03-01
Release date:2020-02-12
Identifier:N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide
PLV
PLV
Name:N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE
Formula:C12 H19 N2 O8 P
SMILES:O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)COC
InChi:InChI=1S/C12H19N2O8P/c1-7-11(15)9(4-14-10(6-21-2)12(16)17)8(3-13-7)5-22-23(18,19)20/h3,10,14-15H,4-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
Synonyms:PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE
Definition date:2003-07-15
Last modified:2021-03-01
Identifier:N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-O-methyl-L-serine
336
336
Name:4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE
Formula:C27 H31 Br2 Cl N4 O2
SMILES:O=C(N4CCC(C3c1c(Br)cc(Cl)cc1CCc2cc(Br)cnc23)CC4)CC5CCN(C(=O)N)CC5
InChi:InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1
Synonyms:SCH66336
Definition date:2003-10-06
Last modified:2021-03-01
Identifier:4-(2-{4-[(11R)-3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]piperidin-1-yl}-2-oxoethyl)piperidine-1-carboxamide
MQA
MQA
Name:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
Formula:C16 H19 N3 O6
SMILES:O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N
InChi:InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
Synonyms:Mitomycin A
Definition date:2009-04-06
Last modified:2021-03-01
Identifier:[(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate
ZYC
ZYC
Name:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:C12 H14 O4
SMILES:O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:ethyl ferulate
Definition date:2010-10-29
Last modified:2021-03-01
Identifier:ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
RMA
RMA
Name:N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE
Formula:C13 H15 N
SMILES:C#CCN(C)C2c1ccccc1CC2
InChi:InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
Synonyms:N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
Definition date:2004-01-15
Last modified:2021-03-01
Identifier:(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine

244693

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