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PDB Info pages Status search Chemie search: 43993 results BIRD

VLE

VLE
Name:	1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one
Formula:	C25 H25 Cl N6 O2
SMILES:	CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1
InChi:	InChI=1S/C25H25ClN6O2/c1-3-20(33)31-7-8-32-15(12-31)6-9-34-24-22-19(27-13-28-25(22)32)10-16(23(24)26)21-14(2)4-5-18-17(21)11-29-30-18/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,29,30)/t15-/m0/s1
Definition date:	2021-05-27
Last modified:	2022-04-15
Release date:	2022-04-20

V7K

V7K
Name:	(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
Formula:	C16 H18 N6 O9 S
SMILES:	N[CH](CCC(=O)N[CH](CSc1ccc(c2nonc12)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
InChi:	InChI=1S/C16H18N6O9S/c17-7(16(27)28)1-4-11(23)19-8(15(26)18-5-12(24)25)6-32-10-3-2-9(22(29)30)13-14(10)21-31-20-13/h2-3,7-8H,1,4-6,17H2,(H,18,26)(H,19,23)(H,24,25)(H,27,28)/t7-,8-/m0/s1
Definition date:	2021-04-23
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	(2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

YWM

YWM
Name:	diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12
InChi:	InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29-,30-,31+,32-,33+/m0/s1
Definition date:	2021-04-02
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate

YWP

YWP
Name:	diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate
Formula:	C34 H51 N2 O12 P S
SMILES:	CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12
InChi:	InChI=1S/C34H51N2O12PS/c1-6-46-49(40,47-7-2)22-45-27-12-8-25(9-13-27)18-30(35-34(39)48-32-21-44-33-29(32)16-17-43-33)31(38)20-36(19-23(3)4)50(41,42)28-14-10-26(11-15-28)24(5)37/h8-15,23-24,29-33,37-38H,6-7,16-22H2,1-5H3,(H,35,39)/t24-,29+,30+,31-,32+,33-/m1/s1
Definition date:	2021-04-02
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	diethyl [(4-{(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butyl}phenoxy)methyl]phosphonate

YWS

YWS
Name:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate
Formula:	C35 H53 N2 O12 P S
SMILES:	CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccc(OCP(=O)(OCC)OCC)cc1)NC(=O)OC1COC2OCCC12
InChi:	InChI=1S/C35H53N2O12PS/c1-6-24(4)20-37(51(42,43)29-15-11-27(12-16-29)25(5)38)21-32(39)31(36-35(40)49-33-22-45-34-30(33)17-18-44-34)19-26-9-13-28(14-10-26)46-23-50(41,47-7-2)48-8-3/h9-16,24-25,30-34,38-39H,6-8,17-23H2,1-5H3,(H,36,40)/t24-,25-,30-,31-,32+,33-,34+/m0/s1
Definition date:	2021-04-02
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butyl]phenoxy}methyl)phosphonate

V8H

V8H
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C16 H26 N2 O15 P2
SMILES:	NC(=O)C1=CN(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]3O)[CH](O)[CH]2O
InChi:	InChI=1S/C16H26N2O15P2/c17-14(23)7-2-1-3-18(4-7)15-12(21)10(19)8(31-15)5-29-34(25,26)33-35(27,28)30-6-9-11(20)13(22)16(24)32-9/h1,3-4,8-13,15-16,19-22,24H,2,5-6H2,(H2,17,23)(H,25,26)(H,27,28)/t8-,9-,10-,11-,12-,13-,15-,16-/m1/s1
Definition date:	2021-04-28
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

ZM1

ZM1
Name:	2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose
Formula:	C8 H16 N O8 P
SMILES:	O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O
InChi:	InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1
Definition date:	2021-05-06
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose

85R

85R
Name:	[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate
Formula:	C41 H79 O13 P
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36-,37-,38+,39+,40+,41-/m1/s1
Definition date:	2022-03-02
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S},3~{S},5~{R},6~{S})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate

K71

K71
Name:	3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid
Formula:	C9 H16 O8
SMILES:	COC1CC(O)(C(O)=O)OC(C1O)C(CO)O
InChi:	InChI=1S/C9H16O8/c1-16-5-2-9(15,8(13)14)17-7(6(5)12)4(11)3-10/h4-7,10-12,15H,2-3H2,1H3,(H,13,14)/t4-,5-,6-,7-,9-/m1/s1
Definition date:	2018-11-05
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	3-deoxy-4-O-methyl-alpha-D-manno-oct-2-ulopyranosonic acid

MQP

MQP
Name:	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron
Formula:	C44 H28 Fe N4
SMILES:	c1c(cccc1)C3=C2N5C(C=C2)=C(C%11=N7C(=C(c9n6c(C(=C4N(=C3C=C4)[Fe]567)c8ccccc8)cc9)c%10ccccc%10)C=C%11)c%12ccccc%12
InChi:	InChI=1S/C44H28N4.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36
Synonyms:	Fe-5,10,15,20-Tetraphenylporphyrin
Definition date:	2018-03-01
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	[5,10,15,20-tetraphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]iron

RLK

RLK
Name:	2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
Formula:	C19 H27 Br N6 O4 S
SMILES:	CN(C)CCC[S](=O)(=O)N1CCN(CC1)c2ccc(Br)c(NC(=O)c3coc(N)n3)c2
InChi:	InChI=1S/C19H27BrN6O4S/c1-24(2)6-3-11-31(28,29)26-9-7-25(8-10-26)14-4-5-15(20)16(12-14)22-18(27)17-13-30-19(21)23-17/h4-5,12-13H,3,6-11H2,1-2H3,(H2,21,23)(H,22,27)
Definition date:	2020-10-06
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	2-azanyl-~{N}-[2-bromanyl-5-[4-[3-(dimethylamino)propylsulfonyl]piperazin-1-yl]phenyl]-1,3-oxazole-4-carboxamide

RMK

RMK
Name:	~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide
Formula:	C27 H34 N6 O2
SMILES:	CC(C)n1nccc1C(=O)N[CH](C(C2CC2)C3CC3)C(=O)Nc4ccc(cc4)c5c(C)[nH]nc5C
InChi:	InChI=1S/C27H34N6O2/c1-15(2)33-22(13-14-28-33)26(34)30-25(24(19-5-6-19)20-7-8-20)27(35)29-21-11-9-18(10-12-21)23-16(3)31-32-17(23)4/h9-15,19-20,24-25H,5-8H2,1-4H3,(H,29,35)(H,30,34)(H,31,32)/t25-/m0/s1
Definition date:	2020-10-09
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	~{N}-[(2~{S})-1,1-dicyclopropyl-3-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)phenyl]amino]-3-oxidanylidene-propan-2-yl]-2-propan-2-yl-pyrazole-3-carboxamide

RMQ

RMQ
Name:	(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
Formula:	C41 H50 Cl F2 N5 O9
SMILES:	CC(C)[CH](NC(=O)COCCNC(=O)OC(C)(C)C)C(=O)N[CH](CC(O)=O)Cc1ccc(NC(=O)[CH](Cc2ccccc2Cl)NC(=O)C(F)(F)c3ccccc3)cc1
InChi:	InChI=1S/C41H50ClF2N5O9/c1-25(2)35(49-33(50)24-57-20-19-45-39(56)58-40(3,4)5)37(54)47-30(23-34(51)52)21-26-15-17-29(18-16-26)46-36(53)32(22-27-11-9-10-14-31(27)42)48-38(55)41(43,44)28-12-7-6-8-13-28/h6-18,25,30,32,35H,19-24H2,1-5H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,50)(H,51,52)/t30-,32+,35+/m1/s1
Definition date:	2020-10-09
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid

8QY

8QY
Name:	N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea
Formula:	C19 H27 N3 O2 S
SMILES:	Oc1ccc(cc1)CC(CNC(=O)NC(C)Cc1ccsc1)N(C)C
InChi:	InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1
Definition date:	2021-09-27
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea

8RI

8RI
Name:	(2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide
Formula:	C24 H26 N2 O2
SMILES:	Oc1ccc(CC(CNC(=O)/C=C/c2cccc3ccccc32)N(C)C)cc1
InChi:	InChI=1S/C24H26N2O2/c1-26(2)21(16-18-10-13-22(27)14-11-18)17-25-24(28)15-12-20-8-5-7-19-6-3-4-9-23(19)20/h3-15,21,27H,16-17H2,1-2H3,(H,25,28)/b15-12+/t21-/m0/s1
Definition date:	2021-09-29
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	(2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(naphthalen-1-yl)prop-2-enamide

ECI

ECI
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
Formula:	C20 H26 N10 O12 P2 S2
SMILES:	NC1=Nc2c(ncn2C2OC(CO)C(OP(=O)(S)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3OP(=O)(O)S)C2O)C(=O)N1
InChi:	InChI=1S/C20H26N10O12P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)13(41-43(35,36)45)7(40-18)2-38-44(37,46)42-12-6(1-31)39-19(10(12)32)30-5-26-9-16(30)27-20(22)28-17(9)34/h3-7,10-13,18-19,31-33H,1-2H2,(H,37,46)(H2,21,23,24)(H2,35,36,45)(H3,22,27,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-,44+/m1/s1
Definition date:	2021-12-06
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	O-[(2R,3S,4R,5R)-2-({[(S)-{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(sulfanyl)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen (R)-phosphorothioate (non-preferred name)

0BJ

0BJ
Name:	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
Formula:	C16 H14 O6
SMILES:	COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O
InChi:	InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3
Definition date:	2021-06-08
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate

0CC

0CC
Name:	Andiconin D
Formula:	C25 H30 O4
SMILES:	CC1(C)[CH]2CC[C]34C[C]5(C)C=C6C(=O)OC[C]36[C](C)(C[CH]4[C]2(C)C=CC1=O)C5=O
InChi:	InChI=1S/C25H30O4/c1-20(2)15-6-9-24-12-21(3)10-14-18(27)29-13-25(14,24)23(5,19(21)28)11-16(24)22(15,4)8-7-17(20)26/h7-8,10,15-16H,6,9,11-13H2,1-5H3/t15-,16-,21+,22-,23-,24-,25+/m0/s1
Definition date:	2021-06-08
Last modified:	2022-04-15
Release date:	2022-04-20

0ER

0ER
Name:	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate
Formula:	C16 H14 O7
SMILES:	COC(=O)c1c(O)c(C)cc(O)c1C(=O)c2c(O)cccc2O
InChi:	InChI=1S/C16H14O7/c1-7-6-10(19)12(13(14(7)20)16(22)23-2)15(21)11-8(17)4-3-5-9(11)18/h3-6,17-20H,1-2H3
Definition date:	2021-06-09
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3,6-bis(oxidanyl)benzoate

I6W

I6W
Name:	ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate
Formula:	C14 H12 N2 O3
SMILES:	O=C(OCC)c1cnc(cc1)c1ncc(C=O)cc1
InChi:	InChI=1S/C14H12N2O3/c1-2-19-14(18)11-4-6-13(16-8-11)12-5-3-10(9-17)7-15-12/h3-9H,2H2,1H3
Definition date:	2022-01-20
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate

I77

I77
Name:	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
Formula:	C12 H11 N5 O2
SMILES:	NC(=O)c1cnc(cc1)c1ccc(cn1)C(=O)NN
InChi:	InChI=1S/C12H11N5O2/c13-11(18)7-1-3-9(15-5-7)10-4-2-8(6-16-10)12(19)17-14/h1-6H,14H2,(H2,13,18)(H,17,19)
Definition date:	2022-01-20
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide

I7E

I7E
Name:	tert-butylbenzene
Formula:	C10 H14
SMILES:	CC(C)(C)c1ccccc1
InChi:	InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
Definition date:	2022-01-20
Last modified:	2022-04-15
Release date:	2022-04-20
Identifier:	tert-butylbenzene

J59

J59
Name:	Brimonidine
Formula:	C11 H10 Br N5
SMILES:	Brc1c(NC2=NCCN2)ccc3nccnc13
InChi:	InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
Definition date:	2021-04-09
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	5-bromanyl-~{N}-(4,5-dihydro-1~{H}-imidazol-2-yl)quinoxalin-6-amine

J5C

J5C
Name:	Oxymetazoline
Formula:	C16 H24 N2 O
SMILES:	Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C
InChi:	InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Definition date:	2021-04-09
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	6-~{tert}-butyl-3-(4,5-dihydro-1~{H}-imidazol-2-ylmethyl)-2,4-dimethyl-phenol

V08

V08
Name:	(2 {R},3 {S})-3-methanoyl-4-methyl-2-hydroxy-pentanoic acid
Formula:	C7 H12 O4
SMILES:	CC(C)[CH](C=O)[CH](O)C(O)=O
InChi:	InChI=1S/C7H12O4/c1-4(2)5(3-8)6(9)7(10)11/h3-6,9H,1-2H3,(H,10,11)/t5-,6+/m0/s1
Definition date:	2021-03-31
Last modified:	2022-04-08
Release date:	2022-04-13
Identifier:	(2~{R},3~{S})-3-methanoyl-4-methyl-2-oxidanyl-pentanoic acid

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