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IV8
IV8
Name:(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline
Formula:C19 H21 N7
SMILES:Cn1nc(nc1CCc1nc2ccc3ccccc3n2n1)N1CCCC1
InChi:InChI=1S/C19H21N7/c1-24-17(21-19(23-24)25-12-4-5-13-25)11-9-16-20-18-10-8-14-6-2-3-7-15(14)26(18)22-16/h2-3,6-8,10H,4-5,9,11-13H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline
IVE
IVE
Name:(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide
Formula:C23 H30 Br N3 O5
SMILES:COc1cc(cc(OC)c1Br)CNNC(=O)C(OCC)c1ccc(cc1)N1CCOCC1
InChi:InChI=1S/C23H30BrN3O5/c1-4-32-22(17-5-7-18(8-6-17)27-9-11-31-12-10-27)23(28)26-25-15-16-13-19(29-2)21(24)20(14-16)30-3/h5-8,13-14,22,25H,4,9-12,15H2,1-3H3,(H,26,28)/t22-/m0/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide
IVJ
IVJ
Name:N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide
Formula:C19 H15 Cl N6 O2
SMILES:O=C(N)c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1cccc(Cl)c1
InChi:InChI=1S/C19H15ClN6O2/c1-26-16(13(9-22-26)17(21)27)19(28)23-12-5-6-14-15(8-12)25-18(24-14)10-3-2-4-11(20)7-10/h2-9H,1H3,(H2,21,27)(H,23,28)(H,24,25)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~5~-[2-(3-chlorophenyl)-1H-benzimidazol-5-yl]-1-methyl-1H-pyrazole-4,5-dicarboxamide
IVP
IVP
Name:N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea
Formula:C25 H24 N4 O3
SMILES:Cc1ccc(cc1)NC(=O)N(Cc1ccc(OC)cc1)CC1=Nc2ccccc2C(=O)N1
InChi:InChI=1S/C25H24N4O3/c1-17-7-11-19(12-8-17)26-25(31)29(15-18-9-13-20(32-2)14-10-18)16-23-27-22-6-4-3-5-21(22)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea
IVT
IVT
Name:(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
Formula:C16 H22 N8
SMILES:Cn1nc(nc1CCc1nc2c(C)ncc(C)n2n1)N1CCCC1
InChi:InChI=1S/C16H22N8/c1-11-10-17-12(2)15-18-13(20-24(11)15)6-7-14-19-16(21-22(14)3)23-8-4-5-9-23/h10H,4-9H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-5,8-dimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
IVY
IVY
Name:3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
Formula:C20 H12 F4 N4 O
SMILES:FC(F)(F)c1cc(ccc1)N1C=CC(=O)C(=N1)c1ccnn1c1ccccc1F
InChi:InChI=1S/C20H12F4N4O/c21-15-6-1-2-7-16(15)28-17(8-10-25-28)19-18(29)9-11-27(26-19)14-5-3-4-13(12-14)20(22,23)24/h1-12H
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(2-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
IW9
IW9
Name:5-butoxy-4-ethoxypyrimidin-2-amine
Formula:C10 H17 N3 O2
SMILES:Nc1nc(OCC)c(cn1)OCCCC
InChi:InChI=1S/C10H17N3O2/c1-3-5-6-15-8-7-12-10(11)13-9(8)14-4-2/h7H,3-6H2,1-2H3,(H2,11,12,13)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-butoxy-4-ethoxypyrimidin-2-amine
IWC
IWC
Name:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
Formula:C20 H20 N4
SMILES:Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1
InChi:InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
IWG
IWG
Name:5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole
Formula:C12 H7 Cl N2 O S
SMILES:Clc1ccc(Oc2cnns2)c2ccccc21
InChi:InChI=1S/C12H7ClN2OS/c13-10-5-6-11(16-12-7-14-15-17-12)9-4-2-1-3-8(9)10/h1-7H
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(4-chloronaphthalen-1-yl)oxy]-1,2,3-thiadiazole
IWK
IWK
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C18 H21 N9 O3
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)N1CCOCC1
InChi:InChI=1S/C18H21N9O3/c1-24-15(12(10-20-24)17(29)25-3-2-4-25)16(28)21-13-9-14-22-18(23-27(14)11-19-13)26-5-7-30-8-6-26/h9-11H,2-8H2,1H3,(H,21,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
IWN
IWN
Name:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C19 H18 N6 O2
SMILES:COCc1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C19H18N6O2/c1-24-17(14(11-20-24)12-27-2)19(26)21-15-8-9-25-16(10-15)22-18(23-25)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,21,26)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(methoxymethyl)-1-methyl-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IWS
IWS
Name:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
Formula:C10 H7 N3 O
SMILES:O=C1Nc2ccccc2c2nccn21
InChi:InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
IWY
IWY
Name:ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate
Formula:C11 H17 N3 O3
SMILES:Cn1ncc(C(=O)OCC)c1C(=O)NCCC
InChi:InChI=1S/C11H17N3O3/c1-4-6-12-10(15)9-8(7-13-14(9)3)11(16)17-5-2/h7H,4-6H2,1-3H3,(H,12,15)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:ethyl 1-methyl-5-(propylcarbamoyl)-1H-pyrazole-4-carboxylate
IX2
IX2
Name:2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole
Formula:C17 H16 Cl N3 O S
SMILES:Cc1c(Cl)c(C)cnc1CSc1nc2cc3OCCc3cc2[NH]1
InChi:InChI=1S/C17H16ClN3OS/c1-9-7-19-14(10(2)16(9)18)8-23-17-20-12-5-11-3-4-22-15(11)6-13(12)21-17/h5-7H,3-4,8H2,1-2H3,(H,20,21)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{[(4-chloro-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-6,7-dihydro-1H-furo[2,3-f]benzimidazole
IX5
IX5
Name:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
Formula:C21 H23 N7 O2
SMILES:Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1
InChi:InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
IXI
IXI
Name:5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide
Formula:C23 H21 N5 O2
SMILES:Cc1ccc(C)nc1C(=O)Nc1cc2nc([NH]c2cc1C(=O)NC)c1ccccc1
InChi:InChI=1S/C23H21N5O2/c1-13-9-10-14(2)25-20(13)23(30)28-17-12-19-18(11-16(17)22(29)24-3)26-21(27-19)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,29)(H,26,27)(H,28,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-[(3,6-dimethylpyridine-2-carbonyl)amino]-N-methyl-2-phenyl-1H-benzimidazole-6-carboxamide
IXL
IXL
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C23 H26 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1C)N1CCC1
InChi:InChI=1S/C23H26N6O2/c1-15-6-3-4-7-17(15)19-14-29-11-8-16(12-20(29)26-19)25-22(30)21-18(13-24-27(21)2)23(31)28-9-5-10-28/h3-4,6-7,13-14,16H,5,8-12H2,1-2H3,(H,25,30)/t16-/m1/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IXT
IXT
Name:(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide
Formula:C22 H23 Br N4 O4
SMILES:COc1cc(cc(OC)c1Br)/C=N/NC(=O)C(OCC)c1ccc(cc1)n1cccn1
InChi:InChI=1S/C22H23BrN4O4/c1-4-31-21(16-6-8-17(9-7-16)27-11-5-10-25-27)22(28)26-24-14-15-12-18(29-2)20(23)19(13-15)30-3/h5-14,21H,4H2,1-3H3,(H,26,28)/b24-14+/t21-/m0/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2S)-N'-[(E)-(4-bromo-3,5-dimethoxyphenyl)methylidene]-2-ethoxy-2-[4-(1H-pyrazol-1-yl)phenyl]acetohydrazide
IY2
IY2
Name:N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide
Formula:C21 H19 F N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccc(F)cc1)N(C)C
InChi:InChI=1S/C21H19FN6O2/c1-26(2)21(30)16-11-23-27(3)19(16)20(29)24-15-8-9-28-12-17(25-18(28)10-15)13-4-6-14(22)7-5-13/h4-12H,1-3H3,(H,24,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~5~-[(4R)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]-N~4~,N~4~,1-trimethyl-1H-pyrazole-4,5-dicarboxamide
IY6
IY6
Name:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
Formula:C18 H22 F3 N7
SMILES:Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1
InChi:InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
86W
86W
Name:1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione
Formula:C19 H16 F3 N3 O3
SMILES:CN1C(=O)NC(=O)C(=C1c2ccc(Oc3ncccc3C(F)(F)F)cc2C)C
InChi:InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
Synonyms:Tavapadon
Definition date:2022-03-03
Last modified:2022-10-06
Release date:2022-06-15
Identifier:1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione
Z80
Z80
Name:3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Formula:C17 H19 Cl N2 S
SMILES:CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
InChi:InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
Synonyms:Chlorpromazine
Definition date:2010-02-24
Last modified:2022-10-05
Identifier:3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
IG7
IG7
Name:[(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
Formula:C54 H104 N2 O6 S
SMILES:CCCCCCCCCCCCCCCC(=O)N[CH](CSC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)C(N)=O
InChi:InChI=1S/C54H104N2O6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-51(57)56-50(54(55)60)48-63-47-49(62-53(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)46-61-52(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-50H,4-48H2,1-3H3,(H2,55,60)(H,56,57)/t49-,50+/m0/s1
Definition date:2022-03-18
Last modified:2022-10-05
Release date:2022-09-07
Identifier:[(2~{S})-3-[(2~{S})-3-azanyl-2-(hexadecanoylamino)-3-oxidanylidene-propyl]sulfanyl-2-hexadecanoyloxy-propyl] hexadecanoate
F86
F86
Name:[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:C12 H14 N5 O7 P
SMILES:OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)ncnn21
InChi:InChI=1S/C12H14N5O7P/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(24-12)3-23-25(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
Synonyms:Remdesivir, bound form
Definition date:2020-04-14
Last modified:2022-10-05
Release date:2020-04-22
Identifier:{(2R,3S,4R,5R)-5-[(8R)-4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl]-5-cyano-3,4-dihydroxyoxolan-2-yl}methyl dihydrogen phosphate (non-preferred name)
IRM
IRM
Name:1,2-Dihydro-psi,psi-caroten-1-ol
Formula:C40 H58 O
SMILES:CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O
InChi:InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-17,19-21,23-30,41H,13,18,22,31-32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
Synonyms:Rhodopin
Definition date:2022-04-07
Last modified:2022-10-05
Release date:2022-10-05
Identifier:(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol

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