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PDB Info pages Status search Chemie search: 44195 results BIRD

A1A5P

A1A5P
Name:	6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one
Formula:	C19 H18 F3 N3 O
SMILES:	FC(F)(F)c1ccc(cc1)Cc1c2C(C)=CN(C(=O)c2nn1C)C1CC1
InChi:	InChI=1S/C19H18F3N3O/c1-11-10-25(14-7-8-14)18(26)17-16(11)15(24(2)23-17)9-12-3-5-13(6-4-12)19(20,21)22/h3-6,10,14H,7-9H2,1-2H3
Definition date:	2024-09-10
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	6-cyclopropyl-2,4-dimethyl-3-{[4-(trifluoromethyl)phenyl]methyl}-2,6-dihydro-7H-pyrazolo[3,4-c]pyridin-7-one

A1A8U

A1A8U
Name:	(2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione
Formula:	C22 H23 F2 N3 O3
SMILES:	FC(F)CC12CCc3ccccc3C2N2N3C=CC(=O)C(O)=C3C(=O)N(C)C2CC1
InChi:	InChI=1S/C22H23F2N3O3/c1-25-17-7-10-22(12-16(23)24)9-6-13-4-2-3-5-14(13)20(22)27(17)26-11-8-15(28)19(29)18(26)21(25)30/h2-5,8,11,16-17,20,29H,6-7,9-10,12H2,1H3/t17-,20+,22+/m0/s1
Definition date:	2024-09-20
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione

OJN

OJN
Name:	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C29 H33 N5 O2 S
SMILES:	COc1ccc(CN2CCc3n(CCN)nc(C(=O)NCc4ccc(SC)cc4)c3C2)c5ccccc15
InChi:	InChI=1S/C29H33N5O2S/c1-36-27-12-9-21(23-5-3-4-6-24(23)27)18-33-15-13-26-25(19-33)28(32-34(26)16-14-30)29(35)31-17-20-7-10-22(37-2)11-8-20/h3-12H,13-19,30H2,1-2H3,(H,31,35)
Synonyms:	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-N-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
Definition date:	2022-09-12
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

VEI

VEI
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Formula:	C42 H72 O13
SMILES:	CC(C)=CCC[C](C)(O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH]2CC[C]3(C)[CH]2[CH](O)C[CH]4[C]5(C)CC[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(C)(C)[CH]5CC[C]34C
InChi:	InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,55-37-35(51)33(49)31(47)25(20-44)53-37)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-,37-,39-,40+,41+,42-/m0/s1
Synonyms:	ginsenoside F2
Definition date:	2023-07-15
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},5~{R},8~{R},9~{R},10~{R},12~{R},13~{R},14~{R},17~{S})-17-[(2~{S})-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-12-oxidanyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

A1BHF

A1BHF
Name:	2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
Formula:	C27 H23 F6 N9 O
SMILES:	FC(F)(F)c1nc(n(C)c1)c1ccc(cc1)CN1c2nc(ncc2N(CC(F)(F)F)C1=N)c1c(ncnc1OC)C1CC1
InChi:	InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3
Definition date:	2024-11-14
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-({4-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl}methyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine

A1EIY

A1EIY
Name:	(1R)-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol
Formula:	C8 H5 Cl2 F3 O
SMILES:	O[CH](c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChi:	InChI=1S/C8H5Cl2F3O/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13/h1-3,7,14H/t7-/m1/s1
Synonyms:	(R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol
Definition date:	2025-01-02
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(1~{R})-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol

A1EIZ

A1EIZ
Name:	(1R)-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol
Formula:	C8 H6 Cl F3 O
SMILES:	O[CH](c1ccccc1Cl)C(F)(F)F
InChi:	InChI=1S/C8H6ClF3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H/t7-/m1/s1
Synonyms:	(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethan-1-ol
Definition date:	2025-01-02
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(1~{R})-1-(2-chlorophenyl)-2,2,2-tris(fluoranyl)ethanol

A1H16

A1H16
Name:	[6-methyl-5-oxidanylidene-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazol-5-yl)methyl]-4~{H}-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C11 H11 N2 O6 P S2
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=C2SC(=S)NC2=O)c1O
InChi:	InChI=1S/C11H11N2O6PS2/c1-5-9(14)7(2-8-10(15)13-11(21)22-8)6(3-12-5)4-19-20(16,17)18/h2-3,14H,4H2,1H3,(H,13,15,21)(H2,16,17,18)/b8-2-
Definition date:	2024-01-12
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	[6-methyl-5-oxidanyl-4-[(~{Z})-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]pyridin-3-yl]methyl dihydrogen phosphate

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

A1H1Y

A1H1Y
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide
Formula:	C27 H27 Cl2 F3 N4 O6
SMILES:	CO[CH]1[CH](O[CH](CO)[CH](O)[CH]1n2cc(nn2)c3cc(F)c(F)c(F)c3)C(=O)N([CH]4CCC[CH]4O)c5cc(Cl)cc(Cl)c5
InChi:	InChI=1S/C27H27Cl2F3N4O6/c1-41-25-23(35-10-18(33-34-35)12-5-16(30)22(32)17(31)6-12)24(39)21(11-37)42-26(25)27(40)36(19-3-2-4-20(19)38)15-8-13(28)7-14(29)9-15/h5-10,19-21,23-26,37-39H,2-4,11H2,1H3/t19-,20-,21+,23-,24-,25+,26+/m0/s1
Definition date:	2024-01-09
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide

A1H2Q

A1H2Q
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
Formula:	C23 H26 Cl F3 N6 O5
SMILES:	CO[CH]1[CH](Cc2cn(nn2)[CH]3CCOC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F
InChi:	InChI=1S/C23H26ClF3N6O5/c1-36-23-17(6-11-7-32(30-28-11)16-4-5-37-10-14(16)25)38-18(9-34)22(35)21(23)33-8-15(29-31-33)12-2-3-13(24)20(27)19(12)26/h2-3,7-8,14,16-18,21-23,34-35H,4-6,9-10H2,1H3/t14-,16-,17+,18+,21-,22-,23-/m0/s1
Definition date:	2024-01-22
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{R},4~{S})-3-fluoranyloxan-4-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol

A1H2R

A1H2R
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol
Formula:	C22 H24 Cl F3 N6 O5
SMILES:	CO[CH]1[CH](Cc2cn(nn2)[CH]3COC[CH]3F)O[CH](CO)[CH](O)[CH]1n4cc(nn4)c5ccc(Cl)c(F)c5F
InChi:	InChI=1S/C22H24ClF3N6O5/c1-35-22-16(4-10-5-31(29-27-10)15-9-36-8-13(15)24)37-17(7-33)21(34)20(22)32-6-14(28-30-32)11-2-3-12(23)19(26)18(11)25/h2-3,5-6,13,15-17,20-22,33-34H,4,7-9H2,1H3/t13-,15+,16-,17-,20+,21+,22+/m1/s1
Definition date:	2024-01-22
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-4-[4-[4-chloranyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-[[1-[(3~{S},4~{S})-4-fluoranyloxolan-3-yl]-1,2,3-triazol-4-yl]methyl]-2-(hydroxymethyl)-5-methoxy-oxan-3-ol

A1H9E

A1H9E
Name:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C24 H34 F N5 O7
SMILES:	CC(C)(C)OC(=O)NC1=CC(=CN([CH](CC2CC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)C(N)=O)C1=O)F
InChi:	InChI=1S/C24H34FN5O7/c1-24(2,3)37-23(36)29-16-10-14(25)11-30(22(16)35)17(8-12-4-5-12)21(34)28-15(18(31)19(26)32)9-13-6-7-27-20(13)33/h10-13,15,17-18,31H,4-9H2,1-3H3,(H2,26,32)(H,27,33)(H,28,34)(H,29,36)/t13-,15+,17-,18-/m0/s1
Definition date:	2024-04-24
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{R},3~{S})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate

A1H9Y

A1H9Y
Name:	(2R,3R)-3-[[(2S)-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
Formula:	C24 H35 N5 O6
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)C(C)C)C3=O
InChi:	InChI=1S/C24H35N5O6/c1-13(2)20(31)27-16-5-4-10-29(24(16)35)18(11-14-6-7-14)22(33)28-17(19(30)23(34)25-3)12-15-8-9-26-21(15)32/h4-5,10,13-15,17-19,30H,6-9,11-12H2,1-3H3,(H,25,34)(H,26,32)(H,27,31)(H,28,33)/t15-,17+,18-,19+/m0/s1
Definition date:	2024-04-29
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(2~{R},3~{R})-3-[[(2~{S})-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide

A1H9Z

A1H9Z
Name:	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate
Formula:	C25 H36 F N5 O7
SMILES:	CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=C(F)C=C(NC(=O)OC(C)(C)C)C3=O
InChi:	InChI=1S/C25H36FN5O7/c1-25(2,3)38-24(37)30-17-11-15(26)12-31(23(17)36)18(9-13-5-6-13)21(34)29-16(19(32)22(35)27-4)10-14-7-8-28-20(14)33/h11-14,16,18-19,32H,5-10H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,30,37)/t14-,16-,18-,19+/m0/s1
Definition date:	2024-04-29
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-[[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-5-fluoranyl-2-oxidanylidene-pyridin-3-yl]carbamate

A1IEZ

A1IEZ
Name:	(7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Formula:	C22 H22 Cl F N4 O3
SMILES:	COCC[CH]1CNC(=O)c2c1[nH]c(c2Nc3cccc(Cl)c3OC)c4ccncc4F
InChi:	InChI=1S/C22H22ClFN4O3/c1-30-9-7-12-10-26-22(29)17-18(12)28-19(13-6-8-25-11-15(13)24)20(17)27-16-5-3-4-14(23)21(16)31-2/h3-6,8,11-12,27-28H,7,9-10H2,1-2H3,(H,26,29)/t12-/m0/s1
Definition date:	2024-06-18
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	(7~{S})-3-[(3-chloranyl-2-methoxy-phenyl)amino]-2-(3-fluoranylpyridin-4-yl)-7-(2-methoxyethyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

A1IMF

A1IMF
Name:	hexavanadate (V6-OH) polyoxometalate
Formula:	C10 H18 O21 V6
SMILES:	OCC12C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O[V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C[O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10C2
InChi:	InChI=1S/2C5H9O4.13O.6V/c2*6-1-5(2-7,3-8)4-9
Definition date:	2024-08-21
Last modified:	2025-01-24
Release date:	2025-01-29

A1IY0

A1IY0
Name:	[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C20 H33 N7 O13 P2 S
SMILES:	CCCN[C]1(NC)O[CH]2[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O[CH]2S1
InChi:	InChI=1S/C20H33N7O13P2S/c1-3-4-26-20(22-2)39-15-13(29)10(38-19(15)43-20)6-36-42(33,34)40-41(31,32)35-5-9-12(28)14(30)18(37-9)27-8-25-11-16(21)23-7-24-17(11)27/h7-10,12-15,18-19,22,26,28-30H,3-6H2,1-2H3,(H,31,32)(H,33,34)(H2,21,23,24)/t9-,10-,12-,13-,14-,15-,18-,19-,20-/m1/s1
Definition date:	2025-01-17
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

A1LXQ

A1LXQ
Name:	dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate
Formula:	C17 H13 N O6
SMILES:	COC(=O)c1cc(cc(c1)c2oc3C=CNC(=O)c3c2)C(=O)OC
InChi:	InChI=1S/C17H13NO6/c1-22-16(20)10-5-9(6-11(7-10)17(21)23-2)14-8-12-13(24-14)3-4-18-15(12)19/h3-8H,1-2H3,(H,18,19)
Definition date:	2024-02-04
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	dimethyl 5-(4-oxidanylidene-5~{H}-furo[3,2-c]pyridin-2-yl)benzene-1,3-dicarboxylate

A1LXV

A1LXV
Name:	A-1210477
Formula:	C46 H55 N7 O7 S
SMILES:	CN(C)[S](=O)(=O)N1CCN(CC1)c2ccc(OCc3n(C)nc(C)c3c4cccc5c(CCCOc6cccc7ccccc67)c(n(CCN8CCOCC8)c45)C(O)=O)cc2
InChi:	InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
Synonyms:	1668553-26-1
Definition date:	2024-02-06
Last modified:	2025-01-24
Release date:	2025-01-29
Identifier:	7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethyl-pyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic 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

ADP

ADP
Name:	ADENOSINE-5'-DIPHOSPHATE
Formula:	C10 H15 N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-01-22
Identifier:	adenosine 5'-(trihydrogen diphosphate)

TDA

TDA
Name:	N-TRIDECANOIC ACID
Formula:	C13 H26 O2
SMILES:	O=C(O)CCCCCCCCCCCC
InChi:	InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
Definition date:	1999-09-01
Last modified:	2025-01-20
Identifier:	tridecanoic acid

UYI

UYI
Name:	2-azanyl-N-[(2R)-1-[(3R)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Formula:	C31 H42 N6 O3
SMILES:	CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4
InChi:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
Definition date:	2023-06-27
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[(3~{R})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1AAA

A1AAA
Name:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine
Formula:	C17 H18 N8
SMILES:	Cn1cc(C)c(Nc2ncc3c(c2)cc(nc3N)c2cncn2C)n1
InChi:	InChI=1S/C17H18N8/c1-10-8-25(3)23-17(10)22-15-5-11-4-13(14-7-19-9-24(14)2)21-16(18)12(11)6-20-15/h4-9H,1-3H3,(H2,18,21)(H,20,22,23)
Definition date:	2023-12-12
Last modified:	2025-01-17
Release date:	2025-01-22
Identifier:	(3M)-N~6~-(1,4-dimethyl-1H-pyrazol-3-yl)-3-(1-methyl-1H-imidazol-5-yl)-2,7-naphthyridine-1,6-diamine

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