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PDB Info pages Status search Chemie search: 43884 results BIRD

WSV

WSV
Name:	2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide
Formula:	C23 H23 N5 O4
SMILES:	COc1cc(Nc2oc(cn2)c3ccccc3CN(C)C(=O)CN)ccc1c4ocnc4
InChi:	InChI=1S/C23H23N5O4/c1-28(22(29)10-24)13-15-5-3-4-6-17(15)21-12-26-23(32-21)27-16-7-8-18(19(9-16)30-2)20-11-25-14-31-20/h3-9,11-12,14H,10,13,24H2,1-2H3,(H,26,27)
Definition date:	2023-10-11
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	2-azanyl-~{N}-[[2-[2-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]amino]-1,3-oxazol-5-yl]phenyl]methyl]-~{N}-methyl-ethanamide

WT8

WT8
Name:	7-Acetamido-5-acetimidoyl-3,5,7,9-tetradeoxy-L-glycero-L-manno-nonulosonic aci
Formula:	C13 H23 N3 O7
SMILES:	C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=N)C(O)=O
InChi:	InChI=1S/C13H23N3O7/c1-5(17)9(16-7(3)18)11-10(15-6(2)14)8(19)4-13(22,23-11)12(20)21/h5,8-11,17,19,22H,4H2,1-3H3,(H2,14,15)(H,16,18)(H,20,21)/t5-,8-,9-,10-,11-,13+/m0/s1
Definition date:	2023-10-12
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	6-(1-acetamido-2-oxidanyl-propyl)-5-(ethanimidoylamino)-2,4-bis(oxidanyl)oxane-2-carboxylic acid

WUE

WUE
Name:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid
Formula:	C25 H20 O3
SMILES:	OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
InChi:	InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1
Definition date:	2023-10-13
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid

X1K

X1K
Name:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione
Formula:	C20 H31 N O4
SMILES:	CC1(C)CCC[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12
InChi:	InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1
Definition date:	2023-05-30
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione

X6Z

X6Z
Name:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Formula:	C7 H15 O9 P
SMILES:	CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1
Definition date:	2023-10-24
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

XI5

XI5
Name:	[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C19 H29 N2 O6 P
SMILES:	CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O
InChi:	InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1
Definition date:	2023-11-02
Last modified:	2024-10-11
Release date:	2024-10-16
Identifier:	[(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

33W

33W
Name:	3-(5-bromothiophen-2-yl)-L-alanine
Formula:	C7 H8 Br N O2 S
SMILES:	Brc1sc(cc1)CC(N)C(=O)O
InChi:	InChI=1S/C7H8BrNO2S/c8-6-2-1-4(12-6)3-5(9)7(10)11/h1-2,5H,3,9H2,(H,10,11)/t5-/m0/s1
Definition date:	2014-06-13
Last modified:	2024-10-09
Release date:	2014-11-12
Identifier:	3-(5-bromothiophen-2-yl)-L-alanine

AYE

AYE
Name:	prop-2-en-1-amine
Formula:	C3 H7 N
SMILES:	C=CCN
InChi:	InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2
Synonyms:	ALLYLAMINE
Definition date:	2009-02-02
Last modified:	2024-10-08
Identifier:	prop-2-en-1-amine

7MD

7MD
Name:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine
Formula:	C17 H27 N8 O9 P
SMILES:	O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1
Definition date:	2011-09-11
Last modified:	2024-10-07
Identifier:	5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine

X49

X49
Name:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one
Formula:	C16 H18 F6 N4 O2 S
SMILES:	FC(F)(F)CCCC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F
InChi:	InChI=1S/C16H18F6N4O2S/c1-28-8-11-24-26-10(13(16(20,21)22)23-14(26)29-11)7-25-6-9(5-12(25)27)3-2-4-15(17,18)19/h9H,2-8H2,1H3/t9-/m0/s1
Definition date:	2023-10-20
Last modified:	2024-10-07
Release date:	2024-05-22
Identifier:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(4,4,4-trifluorobutyl)pyrrolidin-2-one

A1D5Y

A1D5Y
Name:	(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
Formula:	C19 H24 N2 O S
SMILES:	C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
InChi:	InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m0/s1
Definition date:	2024-02-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

A1D5Z

A1D5Z
Name:	(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
Formula:	C19 H24 N2 O S
SMILES:	C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1
InChi:	InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1
Definition date:	2024-02-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol

A1IGB

A1IGB
Name:	amide modified swainsonine-configured alkyl indolizidine
Formula:	C14 H27 N2 O4
SMILES:	CCCCCNC(=O)[CH]1[CH](O)[CH](O)[CH]2[CH](O)CCC[NH+]12
InChi:	InChI=1S/C14H26N2O4/c1-2-3-4-7-15-14(20)11-13(19)12(18)10-9(17)6-5-8-16(10)11/h9-13,17-19H,2-8H2,1H3,(H,15,20)/p+1/t9-,10-,11+,12+,13-/m1/s1
Synonyms:	(1S,2R,3S,8R,8aR)-1,2,8-tris(oxidanyl)-N-pentyl-2,3,4,5,6,7,8,8a-octahydro-1H-indolizin-4-ium-3-carboxamide
Definition date:	2024-06-27
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1~{S},2~{R},3~{S},8~{R},8~{a}~{R})-1,2,8-tris(oxidanyl)-~{N}-pentyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-indolizin-4-ium-3-carboxamide

A1IHR

A1IHR
Name:	cryptophycin-uD[Dab]
Formula:	C34 H43 Cl N4 O7
SMILES:	COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CCN)NC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl
InChi:	InChI=1S/C34H43ClN4O7/c1-20(29-30(46-29)22-9-6-5-7-10-22)26-11-8-12-28(40)38-25(18-21-13-14-27(44-4)23(35)17-21)31(41)37-19-34(2,3)33(43)39-24(15-16-36)32(42)45-26/h5-10,12-14,17,20,24-26,29-30H,11,15-16,18-19,36H2,1-4H3,(H,37,41)(H,38,40)(H,39,43)/b12-8+/t20-,24-,25+,26-,29+,30+/m0/s1
Synonyms:	(3S,10R,13E,16S)-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone
Definition date:	2024-07-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(3~{S},10~{R},13~{E},16~{S})-3-(2-azanylethyl)-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1-oxa-4,8,11-triazacyclohexadec-13-ene-2,5,9,12-tetrone

ZUY

ZUY
Name:	9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine
Formula:	C19 H21 N5 S
SMILES:	Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C
InChi:	InChI=1S/C19H21N5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)25-16-13(3)9-12(2)10-14(16)4/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)
Definition date:	2023-04-05
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine

A1AJA

A1AJA
Name:	1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide
Formula:	C43 H42 Br Cl N6 O5 S
SMILES:	CS(=O)(=O)Nc1cc(NC(=O)CC(c2ccccc2Br)n2c3cc(CN4CCCC4C(=O)NC)ccc3nc2c2cccc(Oc3ccc(Cl)cc3)c2)c(C)cc1
InChi:	InChI=1S/C43H42BrClN6O5S/c1-27-13-17-31(49-57(3,54)55)24-37(27)47-41(52)25-39(34-10-4-5-11-35(34)44)51-40-22-28(26-50-21-7-12-38(50)43(53)46-2)14-20-36(40)48-42(51)29-8-6-9-33(23-29)56-32-18-15-30(45)16-19-32/h4-6,8-11,13-20,22-24,38-39,49H,7,12,21,25-26H2,1-3H3,(H,46,53)(H,47,52)
Definition date:	2024-04-02
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide

A1AJB

A1AJB
Name:	(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide
Formula:	C43 H58 F N5 O3
SMILES:	CCN(CC)C(=O)c1cc(ccc1F)c1cc(cc(c1)C(=O)NC(CC1CCCCC1)C(=O)NC)CN1CCN(CCCCc2ccccc2)CC1
InChi:	InChI=1S/C43H58FN5O3/c1-4-49(5-2)43(52)38-30-35(19-20-39(38)44)36-26-34(31-48-24-22-47(23-25-48)21-13-12-16-32-14-8-6-9-15-32)27-37(29-36)41(50)46-40(42(51)45-3)28-33-17-10-7-11-18-33/h6,8-9,14-15,19-20,26-27,29-30,33,40H,4-5,7,10-13,16-18,21-25,28,31H2,1-3H3,(H,45,51)(H,46,50)
Definition date:	2024-04-02
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide

A1APF

A1APF
Name:	(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide
Formula:	C37 H45 N7 O3
SMILES:	Cn1cc(cn1)c1cnc(N)c(c1)C(=O)NC1CCCC1OCc1ccc(cc1)c1ccc(cc1)C(C)(C)N1CCN(CC=O)CC1
InChi:	InChI=1S/C37H45N7O3/c1-37(2,44-17-15-43(16-18-44)19-20-45)31-13-11-28(12-14-31)27-9-7-26(8-10-27)25-47-34-6-4-5-33(34)41-36(46)32-21-29(22-39-35(32)38)30-23-40-42(3)24-30/h7-14,20-24,33-34H,4-6,15-19,25H2,1-3H3,(H2,38,39)(H,41,46)/t33-,34+/m1/s1
Definition date:	2024-04-22
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide

A1IAU

A1IAU
Name:	2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid
Formula:	C13 H11 N O4
SMILES:	Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2
InChi:	InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)
Synonyms:	2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid
Definition date:	2024-05-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid

A1IAV

A1IAV
Name:	2-azanyl-5-(4-fluorophenyl)benzoic acid
Formula:	C13 H10 F N O2
SMILES:	Nc1ccc(cc1C(O)=O)c2ccc(F)cc2
InChi:	InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17)
Synonyms:	2-amino-5-(4-fluorophenyl)benzoic acid
Definition date:	2024-05-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	2-azanyl-5-(4-fluorophenyl)benzoic acid

A1IAY

A1IAY
Name:	2-azanyl-5-(3-hydroxyphenyl)benzoic acid
Formula:	C13 H11 N O3
SMILES:	Nc1ccc(cc1C(O)=O)c2cccc(O)c2
InChi:	InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)
Synonyms:	2-amino-5-(3-hydroxyphenyl)benzoic acid
Definition date:	2024-05-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	2-azanyl-5-(3-hydroxyphenyl)benzoic acid

A1IF6

A1IF6
Name:	(2~{R},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C22 H34 N5 O15 P
SMILES:	C[CH](O)[CH](NC(C)=O)[CH]1O[C](C[CH](O)[CH]1NC(C)=O)(O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O
InChi:	InChI=1S/C22H34N5O15P/c1-8(28)14(24-9(2)29)18-15(25-10(3)30)11(31)6-22(41-18,20(34)35)42-43(37,38)39-7-12-16(32)17(33)19(40-12)27-5-4-13(23)26-21(27)36/h4-5,8,11-12,14-19,28,31-33H,6-7H2,1-3H3,(H,24,29)(H,25,30)(H,34,35)(H,37,38)(H2,23,26,36)/t8-,11-,12+,14-,15-,16+,17+,18-,19+,22+/m0/s1
Definition date:	2024-06-27
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(2~{R},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2-[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-oxane-2-carboxylic acid

A1L2V

A1L2V
Name:	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one
Formula:	C15 H11 Cl O4
SMILES:	Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2
InChi:	InChI=1S/C15H11ClO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+
Definition date:	2024-07-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one

A1L2W

A1L2W
Name:	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one
Formula:	C15 H11 Br O4
SMILES:	Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2
InChi:	InChI=1S/C15H11BrO4/c16-12-7-9(2-6-14(12)19)1-5-13(18)11-4-3-10(17)8-15(11)20/h1-8,17,19-20H/b5-1+
Definition date:	2024-07-09
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one

A1A4O

A1A4O
Name:	(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one
Formula:	C24 H27 F N4 O3
SMILES:	CC(C)N1CC(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O
InChi:	InChI=1S/C24H27FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-11,14,18,30H,5,12-13H2,1-4H3/t18-/m1/s1
Definition date:	2024-09-04
Last modified:	2024-10-04
Release date:	2024-10-09
Identifier:	(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one

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