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PDB Info pages Status search Chemie search: 39727 results BIRD

ZKV

ZKV
Name:	(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
Formula:	C20 H22 Cl F2 N3 O
SMILES:	Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl)c3)nc1
InChi:	InChI=1S/C20H22ClF2N3O/c1-14-2-4-16(25-11-14)12-24-13-20(23)6-8-26(9-7-20)19(27)15-3-5-18(22)17(21)10-15/h2-5,10-11,24H,6-9,12-13H2,1H3
Definition date:	2023-06-28
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone

ZQN

ZQN
Name:	N-(TERT-BUTYLOXYCARBONYL)-VALINE
Formula:	C10 H19 N O4
SMILES:	CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O
InChi:	InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
Synonyms:	N-BOC-VALINE
Definition date:	2024-01-22
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

FJW

FJW
Name:	5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine
Formula:	C20 H17 F N6
SMILES:	Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35
InChi:	InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
Synonyms:	BAY 41-2272
Definition date:	2023-07-25
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

I6O

I6O
Name:	1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
Formula:	C20 H27 N3
SMILES:	C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1
InChi:	InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1
Definition date:	2023-07-28
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

KBU

KBU
Name:	4-chloro-1H-benzimidazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1cccc2[NH]cnc21
InChi:	InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
Definition date:	2023-08-10
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	4-chloro-1H-benzimidazole

L1U

L1U
Name:	[(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
Formula:	C12 H15 As N6 O S2
SMILES:	Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1
InChi:	InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m1/s1
Definition date:	2023-08-21
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol

L5R

L5R
Name:	[(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C25 H23 N2 O8 P
SMILES:	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#Cc4ccccc4)C(=O)NC2=O)c5ccccc5
InChi:	InChI=1S/C25H23N2O8P/c28-19-13-21(35-20(19)15-34-36(31,32)33)27-22-18(17-9-5-2-6-10-17)14-25(22,23(29)26-24(27)30)12-11-16-7-3-1-4-8-16/h1-10,14,19-22,28H,13,15H2,(H,26,29,30)(H2,31,32,33)/t19-,20+,21+,22+,25-/m0/s1
Definition date:	2023-08-16
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[(2~{R},3~{S},5~{R})-5-[(1~{R},6~{R})-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

M0O

M0O
Name:	(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17R)-3-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
Formula:	C54 H92 O24
SMILES:	C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C
InChi:	InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23+,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,52-,53+,54-/m0/s1
Definition date:	2022-12-20
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{S},3~{S},4~{S},5~{R},6~{S})-5-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{R})-3-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

M1K

M1K
Name:	(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
Formula:	C60 H102 O29
SMILES:	C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C
InChi:	InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,58-,59+,60-/m0/s1
Definition date:	2022-12-22
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},8~{S},9~{R},10~{R},11~{R},13~{R},14~{S},17~{R})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

M2Q

M2Q
Name:	(2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17S)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol
Formula:	C48 H82 O19
SMILES:	C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C
InChi:	InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)67-43-40(60)37(57)34(54)27(65-43)20-62-41-38(58)35(55)32(52)25(18-49)63-41)22-15-16-46(6)28-12-10-23-24(48(28,8)29(51)17-47(22,46)7)11-14-30(44(23,2)3)66-42-39(59)36(56)33(53)26(19-50)64-42/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24+,25-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,46-,47+,48-/m0/s1
Definition date:	2022-12-22
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol

M7F

M7F
Name:	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8S,9R,10S,11S,13R,14S,17S)-17-[(2S,5R)-5-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
Formula:	C48 H82 O19
SMILES:	C[CH](CC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C
InChi:	InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-/m0/s1
Definition date:	2022-12-23
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},8~{S},9~{R},10~{S},11~{S},13~{R},14~{S},17~{S})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

8JA

8JA
Name:	N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
Formula:	C12 H18 N4 O5
SMILES:	ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O
InChi:	InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20)
Definition date:	2021-12-17
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide

A1LX3

A1LX3
Name:	~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine
Formula:	C20 H23 N
SMILES:	CNCCC[C]12CC[CH](c3ccccc13)c4ccccc24
InChi:	InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+
Synonyms:	Maprotiline
Definition date:	2024-02-08
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	~{N}-methyl-3-(1-tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2(7),3,5,9,11,13-hexaenyl)propan-1-amine

A1LX6

A1LX6
Name:	(1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
Formula:	C17 H19 N O
SMILES:	CN1CCO[CH](c2ccccc2)c3ccccc3C1
InChi:	InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1
Synonyms:	Nefopam
Definition date:	2024-02-09
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine

A1LX7

A1LX7
Name:	[(2R)-2-octanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Formula:	C25 H47 O13 P
SMILES:	CCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCC
InChi:	InChI=1S/C25H47O13P/c1-3-5-7-9-11-13-18(26)35-15-17(37-19(27)14-12-10-8-6-4-2)16-36-39(33,34)38-25-23(31)21(29)20(28)22(30)24(25)32/h17,20-25,28-32H,3-16H2,1-2H3,(H,33,34)/t17-,20-,21-,22+,23-,24-,25-/m1/s1
Definition date:	2024-02-12
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[(2~{R})-2-octanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate

A1LYV

A1LYV
Name:	(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid
Formula:	C17 H13 F3 N2 O6
SMILES:	OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O
InChi:	InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1
Definition date:	2024-03-07
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid

A1AE3

A1AE3
Name:	[3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
Formula:	C27 H27 N5 O5
SMILES:	O=C(N1CC2(C1)COC2)c1cc2ncn(Cc3ccc(OCc4ccc(OC)nc4)c(OC)c3)c2nc1
InChi:	InChI=1S/C27H27N5O5/c1-34-23-7-18(3-5-22(23)37-12-19-4-6-24(35-2)28-9-19)11-31-17-30-21-8-20(10-29-25(21)31)26(33)32-13-27(14-32)15-36-16-27/h3-10,17H,11-16H2,1-2H3
Definition date:	2024-02-19
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[3-({3-methoxy-4-[(6-methoxypyridin-3-yl)methoxy]phenyl}methyl)-3H-imidazo[4,5-b]pyridin-6-yl](2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone

A1AP6

A1AP6
Name:	N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
Formula:	C9 H13 N3 O2 S
SMILES:	O=C(NCC(=O)N(C)C)c1scnc1C
InChi:	InChI=1S/C9H13N3O2S/c1-6-8(15-5-11-6)9(14)10-4-7(13)12(2)3/h5H,4H2,1-3H3,(H,10,14)
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

A1AP8

A1AP8
Name:	(2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
Formula:	C7 H12 N2 O
SMILES:	Cc1nccn1CC(O)C
InChi:	InChI=1S/C7H12N2O/c1-6(10)5-9-4-3-8-7(9)2/h3-4,6,10H,5H2,1-2H3/t6-/m0/s1
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2S)-1-(2-methyl-1H-imidazol-1-yl)propan-2-ol

A1AP9

A1AP9
Name:	(5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione
Formula:	C7 H11 N3 O2
SMILES:	O=C1NC(=O)NC21CCCNC2
InChi:	InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione

A1AQA

A1AQA
Name:	[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
Formula:	C11 H15 N3 O
SMILES:	CC1CCCCN1C(=O)c1cnccn1
InChi:	InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone

A1AQB

A1AQB
Name:	(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Formula:	C10 H11 N3 O
SMILES:	Nc1cccc(c1)N1N=C(C)CC1=O
InChi:	InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

A1AQE

A1AQE
Name:	methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate
Formula:	C13 H16 F N O2
SMILES:	O=C(OC)C1(Cc2ccc(F)cc2)CCNC1
InChi:	InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate

A1AQF

A1AQF
Name:	(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile
Formula:	C5 H7 N O2 S
SMILES:	N#CC1CCS(=O)(=O)C1
InChi:	InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile

A1AQI

A1AQI
Name:	1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine
Formula:	C10 H13 N3
SMILES:	CC(C)n1c2ccccc2nc1N
InChi:	InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12)
Definition date:	2024-04-29
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine

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