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PDB Info pages Status search Chemie search: 36426 results BIRD

X1G

X1G
Name:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide
Formula:	C13 H17 N O3
SMILES:	c1cc(CNC(CC(C)C)=O)cc2c1OCO2
InChi:	InChI=1S/C13H17NO3/c1-9(2)5-13(15)14-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,15)
Definition date:	2020-11-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylbutanamide

T3K

T3K
Name:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one
Formula:	C21 H30 N2 O5
SMILES:	COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3
InChi:	InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+
Definition date:	2020-12-14
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one

J3L

J3L
Name:	(2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid
Formula:	C19 H27 N O6
SMILES:	CCCC=CC=CC(=O)[CH]1C(=O)[CH](C[C](O)(C(C)C)C(O)=O)N(C)C1=O
InChi:	InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,15,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+/t13-,15+,19-/m0/s1
Definition date:	2021-03-31
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{S})-3-methyl-2-[[(2~{S},4~{R})-1-methyl-4-[(2~{E},4~{E})-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid

J86

J86
Name:	[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
Formula:	C11 H13 Br N3 O5 P
SMILES:	C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O
InChi:	InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid

AF6

AF6
Name:	N-benzyl-9H-beta-carbolin-3-amine
Formula:	C18 H15 N3
SMILES:	c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:	InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:	2018-11-01
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-benzyl-9H-beta-carbolin-3-amine

97Q

97Q
Name:	2,8-bis(trifluoromethyl)quinolin-4-ol
Formula:	C11 H5 F6 N O
SMILES:	Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
Definition date:	2017-04-27
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2,8-bis(trifluoromethyl)quinolin-4-ol

97W

97W
Name:	7-(trifluoromethyl)quinolin-4-ol
Formula:	C10 H6 F3 N O
SMILES:	Oc1ccnc2cc(ccc12)C(F)(F)F
InChi:	InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-(trifluoromethyl)quinolin-4-ol

98Q

98Q
Name:	5-methoxy-6-(trifluoromethyl)-1~{H}-indole
Formula:	C10 H8 F3 N O
SMILES:	COc1cc2cc[nH]c2cc1C(F)(F)F
InChi:	InChI=1S/C10H8F3NO/c1-15-9-4-6-2-3-14-8(6)5-7(9)10(11,12)13/h2-5,14H,1H3
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-methoxy-6-(trifluoromethyl)-1~{H}-indole

98W

98W
Name:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
Formula:	C10 H10 O5
SMILES:	COC(=O)c1cc(O)cc(c1)C(=O)OC
InChi:	InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate

CLA

CLA
Name:	CHLOROPHYLL A
Formula:	C55 H72 Mg N4 O5
SMILES:	O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OCC=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
InChi:	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42
Definition date:	1999-07-08
Last modified:	2021-06-25
Identifier:	[methyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11,15-tetramethylhexadec-2-en-1-yl)oxy]propyl}phorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium

HVO

HVO
Name:	1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone
Formula:	C18 H20 O3
SMILES:	CC(=O)c1ccc(Oc2ccc(O)c(c2)C(C)(C)C)cc1
InChi:	InChI=1S/C18H20O3/c1-12(19)13-5-7-14(8-6-13)21-15-9-10-17(20)16(11-15)18(2,3)4/h5-11,20H,1-4H3
Synonyms:	1-[4-(3-tert-Butyl-4-hydroxyphenoxy)phenyl]ethan-1-one
Definition date:	2021-02-10
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-[4-(3-~{tert}-butyl-4-oxidanyl-phenoxy)phenyl]ethanone

HZL

HZL
Name:	[(2S)-3-[2-[(E)-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
Formula:	C61 H104 N O8 P
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C61H104NO8P/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43-59(63)67-52-57(70-60(64)44-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2)53-69-71(65,66)68-51-50-62-49-47-55(4)41-38-40-54(3)45-46-58-56(5)42-39-48-61(58,6)7/h22-25,38,40-41,45-47,49,57H,8-21,26-37,39,42-44,48,50-53H2,1-7H3,(H,65,66)/b24-22-,25-23-,41-38+,46-45+,54-40+,55-47+,62-49+/t57-/m0/s1
Definition date:	2021-03-03
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(2~{S})-3-[2-[(~{E})-[(2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate

7RC

7RC
Name:	(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Formula:	C8 H17 N2 O5 P
SMILES:	OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
InChi:	InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

JGW

JGW
Name:	2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one
Formula:	C24 H18 F3 N O2
SMILES:	CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1
Definition date:	2019-02-25
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one

JHB

JHB
Name:	7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one
Formula:	C24 H17 Cl F3 N O2
SMILES:	CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30)
Definition date:	2019-02-25
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one

JHE

JHE
Name:	3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one
Formula:	C24 H18 F3 N O3
SMILES:	CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3
Definition date:	2019-02-25
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one

Q65

Q65
Name:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C26 H37 B F2 N5 O4
SMILES:	C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C
InChi:	InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1
Definition date:	2020-05-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

Q68

Q68
Name:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:	C18 H33 N5 O4
SMILES:	CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:	InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:	2020-05-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide

QKE

QKE
Name:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
Formula:	C19 H22 Cl N3 O3
SMILES:	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3
InChi:	InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
Definition date:	2020-06-22
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

QV2

QV2
Name:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Formula:	C19 H20 N4 O2
SMILES:	O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:	InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
Definition date:	2020-08-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

QXH

QXH
Name:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C37 H47 Br2 N5 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc(Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1
InChi:	InChI=1S/C37H47Br2N5O2/c1-3-37(4-2,28-45)36(46)40-35-22-31(26-43-17-13-41(14-18-43)24-29-5-9-33(38)10-6-29)21-32(23-35)27-44-19-15-42(16-20-44)25-30-7-11-34(39)12-8-30/h5-12,21-23,28H,3-4,13-20,24-27H2,1-2H3,(H,40,46)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide

QXK

QXK
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C29 H35 N3 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
InChi:	InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

QXN

QXN
Name:	2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
Formula:	C19 H29 N3 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChi:	InChI=1S/C19H29N3O2/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide

QXQ

QXQ
Name:	~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C24 H28 N2 O4
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4cc3C2)c1
InChi:	InChI=1S/C24H28N2O4/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide

QXT

QXT
Name:	1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
Formula:	C24 H26 N2 O4
SMILES:	CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2
InChi:	InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione

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222415

數據於2024-07-10公開中

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