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PDB Info pages Status search Chemie search: 44195 results BIRD

A1BKQ

A1BKQ
Name:	4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Formula:	C13 H14 Br N5 O
SMILES:	BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C(N)=O
InChi:	InChI=1S/C13H14BrN5O/c14-8-3-1-2-4-9(8)19-13-10-7(11(15)20)5-16-12(10)17-6-18-13/h3,5-6,9H,1-2,4H2,(H2,15,20)(H2,16,17,18,19)/t9-/m0/s1
Definition date:	2024-12-09
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	4-{[(1S)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

A1BVV

A1BVV
Name:	(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid
Formula:	C23 H32 N4 O8 S
SMILES:	CNC(=O)C(C)CC(NC(=O)C(CC1CC1)NC(=O)c1cc2c(cccc2OC)[NH]1)C(O)S(=O)(=O)O
InChi:	InChI=1S/C23H32N4O8S/c1-12(20(28)24-2)9-18(23(31)36(32,33)34)27-21(29)16(10-13-7-8-13)26-22(30)17-11-14-15(25-17)5-4-6-19(14)35-3/h4-6,11-13,16,18,23,25,31H,7-10H2,1-3H3,(H,24,28)(H,26,30)(H,27,29)(H,32,33,34)/t12-,16-,18-,23-/m0/s1
Definition date:	2025-02-03
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(1S,2S,4S)-2-{[3-cyclopropyl-N-(4-methoxy-1H-indole-2-carbonyl)-L-alanyl]amino}-1-hydroxy-4-methyl-5-(methylamino)-5-oxopentane-1-sulfonic acid

A1BYV

A1BYV
Name:	(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine
Formula:	C7 H6 N2 O S
SMILES:	Nc1nc(cs1)c1cocc1
InChi:	InChI=1S/C7H6N2OS/c8-7-9-6(4-11-7)5-1-2-10-3-5/h1-4H,(H2,8,9)
Definition date:	2025-03-03
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(4P)-4-(furan-3-yl)-1,3-thiazol-2-amine

A1CIZ

A1CIZ
Name:	(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
Formula:	C14 H16 N2
SMILES:	Cn1ccc2ccc(cc21)C1=CCCNC1
InChi:	InChI=1S/C14H16N2/c1-16-8-6-11-4-5-12(9-14(11)16)13-3-2-7-15-10-13/h3-6,8-9,15H,2,7,10H2,1H3
Definition date:	2025-07-22
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole

A1ECV

A1ECV
Name:	Chlorophyll C3
Formula:	C36 H28 Mg N4 O7
SMILES:	COC(=O)[CH]1C(=O)C2=C(C)C3=Cc4n5c(C=C6C(=C(C)C7=[N+]6[Mg]58[N]9C(=C7)C(=C(C=CC(O)=O)C9=C1C2=[N+]38)C)C=C)c(C(=O)OC)c4C=C
InChi:	InChI=1S/C36H30N4O7.Mg/c1-8-18-15(3)21-12-22-16(4)20(10-11-27(41)42)32(39-22)30-31(36(45)47-7)34(43)28-17(5)23(40-33(28)30)13-25-19(9-2)29(35(44)46-6)26(38-25)14-24(18)37-21
Synonyms:	magnesium
Definition date:	2024-10-02
Last modified:	2025-08-15
Release date:	2025-08-20

A1EEQ

A1EEQ
Name:	3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid
Formula:	C18 H13 Cl2 N3 O4 S
SMILES:	OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1
InChi:	InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)
Definition date:	2024-10-30
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]benzoic acid

A1EHT

A1EHT
Name:	N4-Acetylcytidine
Formula:	C11 H15 N3 O6
SMILES:	CC(=O)NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH]2O
InChi:	InChI=1S/C11H15N3O6/c1-5(16)12-7-2-3-14(11(19)13-7)10-9(18)8(17)6(4-15)20-10/h2-3,6,8-10,15,17-18H,4H2,1H3,(H,12,13,16,19)/t6-,8-,9+,10-/m1/s1
Definition date:	2024-12-12
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	~{N}-[1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]ethanamide

A1EKQ

A1EKQ
Name:	(S)-N-((2R,3S,3a'R,4R,11'S)-3-((2-amino-6-oxo-1,6-dihydro-7H-purin-7-yl)methyl)-3,7',11'-trihydroxy-5',8'-dioxo-3a',4,5,5',8',9',10',11'-octahydro-3H,3'H-spiro[furan-2,2'-furo[2,3,4-de]naphtho[2,3-h]chromen]-4-yl)-1-methylpiperidine-2-carboxamide
Formula:	C34 H35 N7 O10
SMILES:	CN1CCCC[CH]1C(=O)N[CH]2CO[C]3(C[CH]4OC(=O)c5cc6c(O)c7C(=O)CC[CH](O)c7cc6c(O3)c45)[C]2(O)Cn8cnc9NC(=NC(=O)c89)N
InChi:	InChI=1S/C34H35N7O10/c1-40-7-3-2-4-18(40)29(45)37-22-11-49-34(33(22,48)12-41-13-36-28-25(41)30(46)39-32(35)38-28)10-21-24-17(31(47)50-21)8-14-15(27(24)51-34)9-16-19(42)5-6-20(43)23(16)26(14)44/h8-9,13,18-19,21-22,42,44,48H,2-7,10-12H2,1H3,(H,37,45)(H3,35,38,39,46)/t18-,19-,21+,22+,33-,34+/m0/s1
Definition date:	2025-01-24
Last modified:	2025-08-15
Release date:	2025-08-20

A1H3R

A1H3R
Name:	(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine
Formula:	C21 H24 N4 O S
SMILES:	C[CH]1COCCN1c2nc3CCNCCc3c(n2)c4csc5ccccc45
InChi:	InChI=1S/C21H24N4OS/c1-14-12-26-11-10-25(14)21-23-18-7-9-22-8-6-16(18)20(24-21)17-13-27-19-5-3-2-4-15(17)19/h2-5,13-14,22H,6-12H2,1H3/t14-/m0/s1
Synonyms:	Respiri-1093
Definition date:	2024-02-06
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(3~{S})-4-[4-(1-benzothiophen-3-yl)-6,7,8,9-tetrahydro-5~{H}-pyrimido[4,5-d]azepin-2-yl]-3-methyl-morpholine

A1IGS

A1IGS
Name:	(4R)-4-pyridin-4-ylpyrrolidin-2-one
Formula:	C9 H10 N2 O
SMILES:	O=C1C[CH](CN1)c2ccncc2
InChi:	InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
Definition date:	2024-07-01
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(4~{R})-4-pyridin-4-ylpyrrolidin-2-one

A1IKQ

A1IKQ
Name:	1-[(2R,4S,5R)-4-[[(1R,3R,4R,7S)-7-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
Formula:	C40 H52 N13 O20 P3 S3
SMILES:	CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O[P](S)(=O)OC[CH]4O[CH](C[CH]4O[P](S)(=O)OC[CH]5O[CH](C[CH]5O)N6C=CC(=NC6=O)N)n7cnc8c(N)ncnc78)CO[P](S)(=O)O[CH]9C[CH](O[CH]9CO)N%10C=C(C)C(=O)NC%10=O)C(=O)N=C1N
InChi:	InChI=1S/C40H52N13O20P3S3/c1-17-8-52(38(58)48-32(17)42)36-30-31(40(70-36,13-63-30)14-66-76(62,79)71-20-6-27(67-22(20)10-54)51-9-18(2)35(56)49-39(51)59)73-75(61,78)65-12-24-21(7-28(69-24)53-16-46-29-33(43)44-15-45-34(29)53)72-74(60,77)64-11-23-19(55)5-26(68-23)50-4-3-25(41)47-37(50)57/h3-4,8-9,15-16,19-24,26-28,30-31,36,54-55H,5-7,10-14H2,1-2H3,(H,60,77)(H,61,78)(H,62,79)(H2,41,47,57)(H2,42,48,58)(H2,43,44,45)(H,49,56,59)/t19-,20-,21-,22+,23+,24+,26+,27+,28+,30+,31-,36+,40+,74+,75+,76+/m0/s1
Definition date:	2024-08-12
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-[(2~{R},4~{S},5~{R})-4-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(2~{R},3~{S},5~{R})-5-(6-aminopurin-9-yl)-3-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

A1IKV

A1IKV
Name:	1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione
Formula:	C44 H54 N13 O23 P3 S3
SMILES:	CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O)CO[P](S)(=O)O[CH]4[CH]5OC[C]4(CO[P](S)(=O)O[CH]6[CH]7OC[C]6(CO[P](S)(=O)O[CH]8[CH]9OC[C]8(CO)O[CH]9N%10C=C(C)C(=O)NC%10=O)O[CH]7N%11C=C(C)C(=NC%11=O)N)O[CH]5n%12cnc%13c(N)ncnc%12%13)C(=O)N=C1N
InChi:	InChI=1S/C44H54N13O23P3S3/c1-17-4-54(38(61)51-29(17)45)34-21-25(59)42(75-34,9-67-21)12-71-81(64,84)80-28-24-37(57-16-50-20-31(47)48-15-49-32(20)57)77-44(28,11-70-24)14-73-83(66,86)79-27-23-36(55-5-18(2)30(46)52-39(55)62)76-43(27,10-69-23)13-72-82(65,85)78-26-22-35(74-41(26,7-58)8-68-22)56-6-19(3)33(60)53-40(56)63/h4-6,15-16,21-28,34-37,58-59H,7-14H2,1-3H3,(H,64,84)(H,65,85)(H,66,86)(H2,45,51,61)(H2,46,52,62)(H2,47,48,49)(H,53,60,63)/t21?,22-,23+,24-,25-,26-,27+,28?,34?,35-,36+,37?,41-,42+,43+,44+,81+,82+,83+/m0/s1
Definition date:	2024-08-14
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione

A1IKZ

A1IKZ
Name:	1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione
Formula:	C42 H52 N13 O22 P3 S3
SMILES:	CC1=CN([CH]2O[C]3(CO[CH]2[CH]3O[P](S)(=O)OC[C]45CO[CH]([CH](O4)n6cnc7c(N)ncnc67)[CH]5O[P](S)(=O)OC[CH]8O[CH](C[CH]8O)N9C=CC(=NC9=O)N)CO[P](S)(=O)O[CH]%10[CH]%11OC[C]%10(CO)O[CH]%11N%12C=C(C)C(=O)NC%12=O)C(=O)N=C1N
InChi:	InChI=1S/C42H52N13O22P3S3/c1-17-6-53(38(60)50-30(17)44)35-25-28(41(73-35,11-66-25)13-69-79(63,82)75-27-24-34(72-40(27,9-56)10-65-24)54-7-18(2)33(58)51-39(54)61)77-80(64,83)70-14-42-12-67-26(36(74-42)55-16-48-23-31(45)46-15-47-32(23)55)29(42)76-78(62,81)68-8-20-19(57)5-22(71-20)52-4-3-21(43)49-37(52)59/h3-4,6-7,15-16,19-20,22,24-29,34-36,56-57H,5,8-14H2,1-2H3,(H,62,81)(H,63,82)(H,64,83)(H2,43,49,59)(H2,44,50,60)(H2,45,46,47)(H,51,58,61)/t19-,20+,22-,24-,25+,26-,27-,28+,29?,34-,35+,36-,40-,41+,42+,78+,79+,80+/m0/s1
Definition date:	2024-08-14
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	1-[(1~{S},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-7-[[(1~{R},3~{R},4~{R},7~{S})-3-(6-aminopurin-9-yl)-7-[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-3-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methoxy-sulfanyl-phosphoryl]oxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-pyrimidine-2,4-dione

A1IXG

A1IXG
Name:	phosphated-cyclotrixylohydroquinoylene
Formula:	C27 H27 O12 P3
SMILES:	Cc1c(C)c2O[P](O)(=O)Oc3c(C)c(C)c4O[P](O)(=O)Oc5c(C)c(C)c6O[P](O)(=O)Oc1c7Cc6c5Cc4c3Cc27
InChi:	InChI=1S/C27H27O12P3/c1-10-11(2)23-17-8-19-21-9-20-18-7-16(17)22(10)34-40(28,29)36-24(18)12(3)13(4)26(20)38-42(32,33)39-27(21)15(6)14(5)25(19)37-41(30,31)35-23/h7-9H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)
Definition date:	2024-12-19
Last modified:	2025-08-15
Release date:	2025-08-20

A1JJU

A1JJU
Name:	3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride
Formula:	C21 H20 F N3 O2 S
SMILES:	F[S](=O)(=O)c1cccc(c1)c2cn(C3CCCCC3)c4c5cc[nH]c5ncc24
InChi:	InChI=1S/C21H20FN3O2S/c22-28(26,27)16-8-4-5-14(11-16)19-13-25(15-6-2-1-3-7-15)20-17-9-10-23-21(17)24-12-18(19)20/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)
Definition date:	2025-07-16
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	3-(3-cyclohexyl-3,8,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-pentaen-5-yl)benzenesulfonyl fluoride

A1JLK

A1JLK
Name:	~{N}-[2-chloranyl-4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
Formula:	C26 H25 Cl N6 O3 S
SMILES:	Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)cc2Cl
InChi:	InChI=1S/C26H25ClN6O3S/c1-16-9-17(2)30-26(29-16)37-15-24(34)31-20-6-4-5-18(10-20)14-36-21-7-8-23(22(27)11-21)32-25(35)19-12-28-33(3)13-19/h4-13H,14-15H2,1-3H3,(H,31,34)(H,32,35)
Definition date:	2025-07-28
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	~{N}-[2-chloranyl-4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide

A1JLL

A1JLL
Name:	~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide
Formula:	C26 H25 I N6 O3 S
SMILES:	Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)cc2I
InChi:	InChI=1S/C26H25IN6O3S/c1-16-9-17(2)30-26(29-16)37-15-24(34)31-20-6-4-5-18(10-20)14-36-21-7-8-23(22(27)11-21)32-25(35)19-12-28-33(3)13-19/h4-13H,14-15H2,1-3H3,(H,31,34)(H,32,35)
Definition date:	2025-07-28
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	~{N}-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]-2-iodanyl-phenyl]-1-methyl-pyrazole-4-carboxamide

A1L7N

A1L7N
Name:	N-Methyl-L-norvaline
Formula:	C6 H13 N O2
SMILES:	CCC[CH](NC)C(O)=O
InChi:	InChI=1S/C6H13NO2/c1-3-4-5(7-2)6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
Synonyms:	(2~{S})-2-(methylamino)pentanoic acid
Definition date:	2025-02-07
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(2~{S})-2-(methylamino)pentanoic acid

A1LUD

A1LUD
Name:	S-METHYL-METHIONINE
Formula:	C6 H14 N O2 S
SMILES:	C[S+](C)CC[CH](N)C(O)=O
InChi:	InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1/t5-/m0/s1
Synonyms:	(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium
Definition date:	2024-01-22
Last modified:	2025-08-15
Release date:	2025-08-20
Identifier:	(3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium

A1A2E

A1A2E
Name:	4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile
Formula:	C25 H24 N4 O2
SMILES:	O=C1CCC(N1)c1ccc(cc1)c1cc(CN2CCOCC2)c2ccc(C#N)cc2n1
InChi:	InChI=1S/C25H24N4O2/c26-15-17-1-6-21-20(16-29-9-11-31-12-10-29)14-23(27-24(21)13-17)19-4-2-18(3-5-19)22-7-8-25(30)28-22/h1-6,13-14,22H,7-12,16H2,(H,28,30)/t22-/m1/s1
Definition date:	2024-08-16
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	4-[(morpholin-4-yl)methyl]-2-{4-[(2R)-5-oxopyrrolidin-2-yl]phenyl}quinoline-7-carbonitrile

R1G

R1G
Name:	1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:	C14 H17 F3 N2 O3 S
SMILES:	C(c1ccc(OC(F)(F)F)cc1)N2CCN(CC2)S([C@H]=C)(=O)=O
InChi:	InChI=1S/C14H17F3N2O3S/c1-2-23(20,21)19-9-7-18(8-10-19)11-12-3-5-13(6-4-12)22-14(15,16)17/h2-6H,1,7-11H2
Definition date:	2020-01-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-(ethenylsulfonyl)-4-{[4-(trifluoromethoxy)phenyl]methyl}piperazine

R1J

R1J
Name:	(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine
Formula:	C18 H20 F4 N2 O4 S
SMILES:	c1(F)c(ccc(c1)CN2CCN(CC2COCC#C)S(/C=C)(=O)=O)OC(F)(F)F
InChi:	InChI=1S/C18H20F4N2O4S/c1-3-9-27-13-15-12-24(29(25,26)4-2)8-7-23(15)11-14-5-6-17(16(19)10-14)28-18(20,21)22/h1,4-6,10,15H,2,7-9,11-13H2/t15-/m1/s1
Definition date:	2020-01-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	(2R)-4-(ethenylsulfonyl)-1-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}-2-{[(prop-2-yn-1-yl)oxy]methyl}piperazine

R1M

R1M
Name:	1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine
Formula:	C14 H16 F4 N2 O3 S
SMILES:	C1N(CCN(C1)S(/C=C)(=O)=O)Cc2ccc(c(c2)F)OC(F)(F)F
InChi:	InChI=1S/C14H16F4N2O3S/c1-2-24(21,22)20-7-5-19(6-8-20)10-11-3-4-13(12(15)9-11)23-14(16,17)18/h2-4,9H,1,5-8,10H2
Definition date:	2020-01-23
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	1-(ethenylsulfonyl)-4-{[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}piperazine

A1B77

A1B77
Name:	7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one
Formula:	C21 H22 F N5 O
SMILES:	CN(C)Cc1cc2c(cc1F)c1C=NN(Cc3cccc(C)n3)C(=O)c1n2C
InChi:	InChI=1S/C21H22FN5O/c1-13-6-5-7-15(24-13)12-27-21(28)20-17(10-23-27)16-9-18(22)14(11-25(2)3)8-19(16)26(20)4/h5-10H,11-12H2,1-4H3
Definition date:	2025-04-08
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	7-[(dimethylamino)methyl]-8-fluoro-5-methyl-3-[(6-methylpyridin-2-yl)methyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

A1BI1

A1BI1
Name:	{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone
Formula:	C26 H26 N6 O2
SMILES:	O=C(C1CC1)N1CCCC(C1)n1nc(c2c(N)ncnc21)c1ccc(Oc2ccccc2)cc1
InChi:	InChI=1S/C26H26N6O2/c27-24-22-23(17-10-12-21(13-11-17)34-20-6-2-1-3-7-20)30-32(25(22)29-16-28-24)19-5-4-14-31(15-19)26(33)18-8-9-18/h1-3,6-7,10-13,16,18-19H,4-5,8-9,14-15H2,(H2,27,28,29)/t19-/m1/s1
Definition date:	2024-12-02
Last modified:	2025-08-08
Release date:	2025-08-13
Identifier:	{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}(cyclopropyl)methanone

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