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A1LZY
A1LZY
Name:1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C30 H29 F N4 O4
SMILES:CCC(CC)c1nn(c2ccc(F)cc2)c3nc(OCCc4nc(oc4C)c5ccccc5)cc(C(O)=O)c13
InChi:InChI=1S/C30H29FN4O4/c1-4-19(5-2)27-26-23(30(36)37)17-25(33-28(26)35(34-27)22-13-11-21(31)12-14-22)38-16-15-24-18(3)39-29(32-24)20-9-7-6-8-10-20/h6-14,17,19H,4-5,15-16H2,1-3H3,(H,36,37)
Definition date:2024-03-31
Last modified:2025-03-28
Release date:2025-04-02
Identifier:1-(4-fluorophenyl)-6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
A1AEA
A1AEA
Name:palazestrant
Formula:C28 H36 F N3 O
SMILES:CCCN1CC(C1)Oc1ccc(cc1)C1c2[NH]c3ccccc3c2CC(C)N1CC(C)(C)F
InChi:InChI=1S/C28H36FN3O/c1-5-14-31-16-22(17-31)33-21-12-10-20(11-13-21)27-26-24(23-8-6-7-9-25(23)30-26)15-19(2)32(27)18-28(3,4)29/h6-13,19,22,27,30H,5,14-18H2,1-4H3/t19-,27-/m1/s1
Synonyms:(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Definition date:2024-02-06
Last modified:2025-03-14
Release date:2025-03-19
Identifier:(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
UI8
UI8
Name:7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine
Formula:C14 H12 B N2 O
SMILES:O[B]12N=Cc3ccccc3N1Cc4ccccc24
InChi:InChI=1S/C14H12BN2O/c18-15-13-7-3-1-6-12(13)10-17(15)14-8-4-2-5-11(14)9-16-15/h1-9,18H,10H2
Definition date:2023-06-02
Last modified:2025-03-06
Release date:2025-03-05
Identifier:7-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine
X92
X92
Name:Ramiprilat
Formula:C21 H28 N2 O5
SMILES:C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O
InChi:InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
Definition date:2010-03-14
Last modified:2025-03-05
Identifier:(2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid
A1H6R
A1H6R
Name:(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
Formula:C17 H28 N2 O S
SMILES:O[CH](C1CCCCC1)C2=C(S[CH]3CNCN23)C4CCCC4
InChi:InChI=1S/C17H28N2OS/c20-16(12-6-2-1-3-7-12)15-17(13-8-4-5-9-13)21-14-10-18-11-19(14)15/h12-14,16,18,20H,1-11H2/t14-,16+/m1/s1
Definition date:2024-03-26
Last modified:2025-02-28
Release date:2025-03-05
Identifier:(~{S})-[(7~{a}~{R})-2-cyclopentyl-5,6,7,7~{a}-tetrahydroimidazo[5,1-b][1,3]thiazol-3-yl]-cyclohexyl-methanol
A1H6V
A1H6V
Name:(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol
Formula:C19 H16 N6 O S
SMILES:O[CH](c1cn(nn1)c2ccc3[nH]ccc3c2)c4n5cncc5sc4C6CC6
InChi:InChI=1S/C19H16N6OS/c26-18(17-19(11-1-2-11)27-16-8-20-10-24(16)17)15-9-25(23-22-15)13-3-4-14-12(7-13)5-6-21-14/h3-11,18,21,26H,1-2H2/t18-/m1/s1
Definition date:2024-03-26
Last modified:2025-02-28
Release date:2025-03-05
Identifier:(~{R})-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(1~{H}-indol-5-yl)-1,2,3-triazol-4-yl]methanol
A1A5V
A1A5V
Name:(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
Formula:C19 H27 N7 O
SMILES:COC1CCN(CC1)c1nccc(Nc2cc3n(c(C)cn3n2)C(C)C)n1
InChi:InChI=1S/C19H27N7O/c1-13(2)26-14(3)12-25-18(26)11-17(23-25)21-16-5-8-20-19(22-16)24-9-6-15(27-4)7-10-24/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,20,21,22,23)
Synonyms:AUR-3418
Definition date:2024-09-10
Last modified:2025-02-28
Release date:2025-03-05
Identifier:(4S)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methyl-1-(propan-2-yl)-1H-imidazo[1,2-b]pyrazol-6-amine
WLC
WLC
Name:(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol
Formula:C21 H26 O8
SMILES:OCCC(O)c1cc2c(OC(C2CO)c2cc(OC)c(O)c(OC)c2)c(c1)OC
InChi:InChI=1S/C21H26O8/c1-26-16-8-12(9-17(27-2)19(16)25)20-14(10-23)13-6-11(15(24)4-5-22)7-18(28-3)21(13)29-20/h6-9,14-15,20,22-25H,4-5,10H2,1-3H3/t14-,15+,20+/m1/s1
Definition date:2023-10-06
Last modified:2025-02-24
Release date:2025-02-24
Identifier:(1S)-1-[(2R,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propane-1,3-diol
WLI
WLI
Name:4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)
Formula:C22 H26 O8
SMILES:COc1cc(cc(OC)c1O)C1OCC2C1COC2c1cc(OC)c(O)c(OC)c1
InChi:InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14+,21-,22-/m1/s1
Definition date:2023-10-06
Last modified:2025-02-24
Release date:2025-02-24
Identifier:4,4'-[(1S,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxyphenol)
A1BQU
A1BQU
Name:1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
Formula:C13 H13 N5 O2
SMILES:Cn1nc(C(=O)NCCc2cocn2)c2cccnc21
InChi:InChI=1S/C13H13N5O2/c1-18-12-10(3-2-5-14-12)11(17-18)13(19)15-6-4-9-7-20-8-16-9/h2-3,5,7-8H,4,6H2,1H3,(H,15,19)
Definition date:2025-01-13
Last modified:2025-02-21
Release date:2025-02-26
Identifier:1-methyl-N-[2-(1,3-oxazol-4-yl)ethyl]-1H-pyrazolo[3,4-b]pyridine-3-carboxamide
A1BIX
A1BIX
Name:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C20 H19 N7 O2
SMILES:CCOc1cccc(c1)C1CC(=O)Nc2c1c(C)nn2c1ccc2nncn2n1
InChi:InChI=1S/C20H19N7O2/c1-3-29-14-6-4-5-13(9-14)15-10-18(28)22-20-19(15)12(2)24-27(20)17-8-7-16-23-21-11-26(16)25-17/h4-9,11,15H,3,10H2,1-2H3,(H,22,28)/t15-/m0/s1
Definition date:2024-12-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
ZVA
ZVA
Name:(6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide
Formula:C21 H24 F N7 O2
SMILES:CC(C)(O)C(F)CNC(=O)c1cnc(cc1NC(C)C)n1ncc2cc(cnc21)C#N
InChi:InChI=1S/C21H24FN7O2/c1-12(2)28-16-6-18(29-19-14(9-27-29)5-13(7-23)8-25-19)24-10-15(16)20(30)26-11-17(22)21(3,4)31/h5-6,8-10,12,17,31H,11H2,1-4H3,(H,24,28)(H,26,30)/t17-/m1/s1
Definition date:2023-04-06
Last modified:2025-02-07
Release date:2025-02-12
Identifier:(6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide
A1LXF
A1LXF
Name:2-[[(9R)-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid
Formula:C11 H11 B F O5
SMILES:OC(=O)C(=C)C[CH]1O[B-](O)(O)c2cccc(F)c12
InChi:InChI=1S/C11H11BFO5/c1-6(11(14)15)5-9-10-7(12(16,17)18-9)3-2-4-8(10)13/h2-4,9,16-17H,1,5H2,(H,14,15)/q-1/t9-/m1/s1
Definition date:2024-02-01
Last modified:2025-01-31
Release date:2025-02-05
Identifier:2-[[(9~{R})-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid
A1H1U
A1H1U
Name:2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
Formula:C9 H9 B O4
SMILES:OB1O[CH](CC(O)=O)c2ccccc12
InChi:InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1
Synonyms:4'-methylflavone
Definition date:2024-01-05
Last modified:2025-01-24
Release date:2025-01-29
Identifier:2-[(3~{R})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]ethanoic acid
O31
O31
Name:Glecaprevir
Formula:C38 H46 F4 N6 O9 S
SMILES:C7(C(C(NS(C1(C)CC1)(=O)=O)=O)(NC(C3CC4Oc6c(C(C=CCOC2C(CCC2)OC(=O)NC(C(N3C4)=O)C(C)(C)C)(F)F)nc5ccccc5n6)=O)C7)C(F)F
InChi:InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1
Synonyms:(3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide
Definition date:2019-06-05
Last modified:2025-01-22
Release date:2020-06-10
Identifier:(3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17,3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide
A1IKG
A1IKG
Name:2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridin-4-one
Formula:C22 H18 F3 N O4
SMILES:CC1=NC2=C(COCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:InChI=1S/C22H18F3NO4/c1-13-20(21(27)18-12-28-11-10-19(18)26-13)14-2-4-15(5-3-14)29-16-6-8-17(9-7-16)30-22(23,24)25/h2-9,20H,10-12H2,1H3/t20-/m0/s1
Synonyms:2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one
Definition date:2024-08-08
Last modified:2025-01-17
Release date:2025-01-22
Identifier:2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one
A1BJB
A1BJB
Name:(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Formula:C25 H25 B N4 O10
SMILES:O=C(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O
InChi:InChI=1S/C25H25BN4O10/c1-2-29-10-11-30(22(33)21(29)32)25(38)28-18(13-6-8-14(9-7-13)23(34)35)20(31)27-17-12-15-4-3-5-16(24(36)37)19(15)40-26(17)39/h3-9,17-18,39H,2,10-12H2,1H3,(H,27,31)(H,28,38)(H,34,35)(H,36,37)/t17-,18+/m0/s1
Definition date:2024-12-06
Last modified:2025-01-17
Release date:2025-01-22
Identifier:(3R)-3-({(2R)-2-(4-carboxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl}amino)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
A1BJC
A1BJC
Name:(3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
Formula:C24 H26 B N4 O11 P
SMILES:O=P(O)(O)c1ccc(cc1)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(=O)NC1Cc2cccc(c2OB1O)C(=O)O
InChi:InChI=1S/C24H26BN4O11P/c1-2-28-10-11-29(22(32)21(28)31)24(35)27-18(13-6-8-15(9-7-13)41(37,38)39)20(30)26-17-12-14-4-3-5-16(23(33)34)19(14)40-25(17)36/h3-9,17-18,36H,2,10-12H2,1H3,(H,26,30)(H,27,35)(H,33,34)(H2,37,38,39)/t17-,18+/m0/s1
Definition date:2024-12-06
Last modified:2025-01-17
Release date:2025-01-22
Identifier:(3R)-3-{[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-phosphonophenyl)acetyl]amino}-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid
A1L3A
A1L3A
Name:bozitinib
Formula:C20 H15 F3 N8
SMILES:Cn1cc2cc(c(F)cc2n1)C(F)(F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6
InChi:InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
Synonyms:9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene
Definition date:2024-07-24
Last modified:2025-01-17
Release date:2025-01-22
Identifier:3-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
HEC
HEC
Name:HEME C
Formula:C34 H34 Fe N4 O4
SMILES:O=C(O)CCC1=C(C2=CC6=C(C(=C/C)C5=CC4=C(C(C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
InChi:InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25
Definition date:1999-07-08
Last modified:2025-01-13
Identifier:{3,3'-[(7E,12E)-7,12-diethylidene-3,8,13,17-tetramethyl-7,12,22,24-tetrahydroporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~]dipropanoato(4-)}iron
A1L3Y
A1L3Y
Name:~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide
Formula:C22 H32 N6 O7
SMILES:NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O
InChi:InChI=1S/C22H32N6O7/c23-4-7-31-10-12-33-13-11-32-9-6-25-19(29)15-28-14-18-21(27-22(28)30)26-20-16(34-8-5-24)2-1-3-17(20)35-18/h1-3,14H,4-13,15,23-24H2,(H,25,29)(H,26,27,30)
Definition date:2024-08-22
Last modified:2025-01-10
Release date:2025-01-15
Identifier:~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide
XW7
XW7
Name:valbenazine
Formula:C24 H38 N2 O4
SMILES:COc1cc2CCN3C[CH](CC(C)C)[CH](C[CH]3c2cc1OC)OC(=O)[CH](N)C(C)C
InChi:InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1
Synonyms:[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate
Definition date:2023-11-14
Last modified:2025-01-10
Release date:2025-01-15
Identifier:[(2~{R},3~{R},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl] (2~{S})-2-azanyl-3-methyl-butanoate
A1IU7
A1IU7
Name:~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
Formula:C16 H15 N3 O
SMILES:CCC(=O)Nc1ccccc1c2cnc3[nH]ccc3c2
InChi:InChI=1S/C16H15N3O/c1-2-15(20)19-14-6-4-3-5-13(14)12-9-11-7-8-17-16(11)18-10-12/h3-10H,2H2,1H3,(H,17,18)(H,19,20)
Definition date:2024-11-25
Last modified:2025-01-03
Release date:2025-01-08
Identifier:~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
A1BJA
A1BJA
Name:[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone
Formula:C19 H18 Cl2 N4 O3
SMILES:OCCOc1cnc(nc1)C(=O)N1CCc2[NH]c3c(Cl)c(Cl)ccc3c2C1C
InChi:InChI=1S/C19H18Cl2N4O3/c1-10-15-12-2-3-13(20)16(21)17(12)24-14(15)4-5-25(10)19(27)18-22-8-11(9-23-18)28-7-6-26/h2-3,8-10,24,26H,4-7H2,1H3/t10-/m0/s1
Definition date:2024-12-06
Last modified:2024-12-27
Release date:2025-01-01
Identifier:[(1S)-6,7-dichloro-1-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl][5-(2-hydroxyethoxy)pyrimidin-2-yl]methanone
A1IPL
A1IPL
Name:para-boronophenylalanine
Formula:C9 H13 B N O5
SMILES:N[CH](Cc1ccc(cc1)[B](O)(O)O)C(O)=O
InChi:InChI=1S/C9H13BNO5/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14,15)16/h1-4,8,14-16H,5,11H2,(H,12,13)/t8-/m0/s1
Synonyms:[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
Definition date:2024-09-24
Last modified:2024-12-20
Release date:2024-12-25
Identifier:[4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-tris(oxidanyl)boron

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数据于2025-07-09公开中

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