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PDB Info pages Status search Chemie search: 35611 results BIRD

I0T

I0T
Name:	N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
Formula:	C32 H42 Cl2 N6 O3
SMILES:	COCC[NH+]1CCN(CC1)c2ccc(Oc3cc(C[NH+]4CCC(CC4)CNC(C)=O)cc(n3)c5cc(Cl)cc(Cl)c5)cn2
InChi:	InChI=1S/C32H40Cl2N6O3/c1-23(41)35-20-24-5-7-39(8-6-24)22-25-15-30(26-17-27(33)19-28(34)18-26)37-32(16-25)43-29-3-4-31(36-21-29)40-11-9-38(10-12-40)13-14-42-2/h3-4,15-19,21,24H,5-14,20,22H2,1-2H3,(H,35,41)/p+2
Definition date:	2022-02-08
Last modified:	2022-08-22
Release date:	2022-04-20
Identifier:	~{N}-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide

I0W

I0W
Name:	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate
Formula:	C32 H39 Cl2 N6 O4
SMILES:	CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3ccc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5
InChi:	InChI=1S/C32H38Cl2N6O4/c1-22(41)35-19-23-4-7-39(8-5-23)21-24-14-29(25-16-26(33)18-27(34)17-25)37-31(15-24)44-28-2-3-30(36-20-28)40-12-10-38(11-13-40)9-6-32(42)43/h2-3,14-18,20,23H,4-13,19,21H2,1H3,(H,35,41)(H,42,43)/p+1
Definition date:	2022-02-08
Last modified:	2022-08-22
Release date:	2022-04-20
Identifier:	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate

I1G

I1G
Name:	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate
Formula:	C31 H38 Cl2 N7 O4
SMILES:	CC(=O)NCC1CC[NH+](CC1)Cc2cc(Oc3cnc(nc3)N4CC[NH+](CC4)CCC([O-])=O)nc(c2)c5cc(Cl)cc(Cl)c5
InChi:	InChI=1S/C31H37Cl2N7O4/c1-21(41)34-17-22-2-5-39(6-3-22)20-23-12-28(24-14-25(32)16-26(33)15-24)37-29(13-23)44-27-18-35-31(36-19-27)40-10-8-38(9-11-40)7-4-30(42)43/h12-16,18-19,22H,2-11,17,20H2,1H3,(H,34,41)(H,42,43)/p+1
Definition date:	2022-02-08
Last modified:	2022-08-22
Release date:	2022-04-20
Identifier:	3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate

I1X

I1X
Name:	4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide
Formula:	C19 H23 N4 O4
SMILES:	Cc1ccc(cc1[N+]([O-])=O)C(=O)NCCCCC[n+]2ccccc2C=NO
InChi:	InChI=1S/C19H22N4O4/c1-15-8-9-16(13-18(15)23(26)27)19(24)20-10-4-2-5-11-22-12-6-3-7-17(22)14-21-25/h3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,20,24)/p+1
Definition date:	2022-02-08
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	~{N}-[5-[2-[(~{E})-hydroxyiminomethyl]pyridin-1-ium-1-yl]pentyl]-4-methyl-3-nitro-benzamide

I2Q

I2Q
Name:	3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
Formula:	C24 H18 F3 N O2
SMILES:	CC1=C(Nc2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C24H18F3NO2/c1-15-22(28-21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13H,14H2,1H3,(H,28,29)
Synonyms:	3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
Definition date:	2022-02-09
Last modified:	2022-08-22
Release date:	2022-08-10
Identifier:	3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one

I2T

I2T
Name:	(2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid
Formula:	C14 H22 N3 O11 P
SMILES:	CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N(CC[CH](N)C(O)=O)C1=O
InChi:	InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8+,9+,10+,11-/m0/s1
Definition date:	2022-02-09
Last modified:	2022-08-22
Release date:	2022-06-15
Identifier:	(2~{S})-2-azanyl-4-[5-[(2~{S},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]-3-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid

I2W

I2W
Name:	2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one
Formula:	C14 H16 Cl N5 O S
SMILES:	Clc1cccc(c1)N2CCN(CC2)C(=O)CSc3n[nH]cn3
InChi:	InChI=1S/C14H16ClN5OS/c15-11-2-1-3-12(8-11)19-4-6-20(7-5-19)13(21)9-22-14-16-10-17-18-14/h1-3,8,10H,4-7,9H2,(H,16,17,18)
Definition date:	2022-02-09
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1~{H}-1,2,4-triazol-3-ylsulfanyl)ethanone

I2Z

I2Z
Name:	6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4(1H,3H)-dione
Formula:	C12 H16 N4 O2
SMILES:	CN[CH]1[CH](N)N(Cc2ccccc2)C(=O)NC1=O
InChi:	InChI=1S/C12H16N4O2/c1-14-9-10(13)16(12(18)15-11(9)17)7-8-5-3-2-4-6-8/h2-6,9-10,14H,7,13H2,1H3,(H,15,17,18)/t9-,10+/m1/s1
Definition date:	2022-02-09
Last modified:	2022-08-22
Release date:	2022-05-04
Identifier:	(5~{R})-6-azanyl-5-(methylamino)-1-(phenylmethyl)-1,3-diazinane-2,4-dione

I3V

I3V
Name:	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione
Formula:	C5 H7 N3 O2
SMILES:	CC1=C(N)C(=O)NC(=O)N1
InChi:	InChI=1S/C5H7N3O2/c1-2-3(6)4(9)8-5(10)7-2/h6H2,1H3,(H2,7,8,9,10)
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione

I4H

I4H
Name:	~{N}-ethyl-4-methyl-3-nitro-benzamide
Formula:	C10 H12 N2 O3
SMILES:	CCNC(=O)c1ccc(C)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	~{N}-ethyl-4-methyl-3-nitro-benzamide

I4L

I4L
Name:	(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid
Formula:	C24 H22 N2 O12 S
SMILES:	OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O
InChi:	InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1
Definition date:	2022-02-10
Last modified:	2022-08-22
Release date:	2022-04-06
Identifier:	(2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid

I4S

I4S
Name:	3,6-dimethyl-2~{H}-1,2,4-triazin-5-one
Formula:	C5 H7 N3 O
SMILES:	CC1=NC(=O)C(=NN1)C
InChi:	InChI=1S/C5H7N3O/c1-3-5(9)6-4(2)8-7-3/h1-2H3,(H,6,8,9)
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	3,6-dimethyl-2~{H}-1,2,4-triazin-5-one

I5B

I5B
Name:	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
Formula:	C19 H21 N5 O2
SMILES:	COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4
InChi:	InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

I5N

I5N
Name:	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine
Formula:	C22 H26 F N5
SMILES:	Cc1cc(cc(C)n1)c2cc3[nH]nc(N[CH]4CCNC[CH]4F)c3cc2C5CC5
InChi:	InChI=1S/C22H26FN5/c1-12-7-15(8-13(2)25-12)17-10-21-18(9-16(17)14-3-4-14)22(28-27-21)26-20-5-6-24-11-19(20)23/h7-10,14,19-20,24H,3-6,11H2,1-2H3,(H2,26,27,28)/t19-,20-/m1/s1
Definition date:	2022-02-11
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	5-cyclopropyl-6-(2,6-dimethylpyridin-4-yl)-~{N}-[(3~{R},4~{R})-3-fluoranylpiperidin-4-yl]-1~{H}-indazol-3-amine

I5Z

I5Z
Name:	6-cyclopropyl-1H-pyrimidine-2,4-dione
Formula:	C7 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)C2CC2
InChi:	InChI=1S/C7H8N2O2/c10-6-3-5(4-1-2-4)8-7(11)9-6/h3-4H,1-2H2,(H2,8,9,10,11)
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-03-16
Identifier:	6-cyclopropyl-1~{H}-pyrimidine-2,4-dione

I62

I62
Name:	~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide
Formula:	C15 H22 N3 O3
SMILES:	CCN(CC)C=CCNC(=O)c1ccc(C)c(c1)[N+](O)=O
InChi:	InChI=1S/C15H21N3O3/c1-4-17(5-2)10-6-9-16-15(19)13-8-7-12(3)14(11-13)18(20)21/h6-8,10-11H,4-5,9H2,1-3H3,(H-,16,19,20,21)/p+1/b10-6+
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	[5-[[(~{E})-3-(diethylamino)prop-2-enyl]carbamoyl]-2-methyl-phenyl]-oxidanyl-oxidanylidene-azanium

I6A

I6A
Name:	5-methoxy-6-pyridin-4-yl-1~{H}-indole
Formula:	C14 H12 N2 O
SMILES:	COc1cc2cc[nH]c2cc1c3ccncc3
InChi:	InChI=1S/C14H12N2O/c1-17-14-8-11-4-7-16-13(11)9-12(14)10-2-5-15-6-3-10/h2-9,16H,1H3
Definition date:	2022-02-12
Last modified:	2022-08-22
Release date:	2022-03-23
Identifier:	5-methoxy-6-pyridin-4-yl-1~{H}-indole

I6R

I6R
Name:	6-ethyl-1H-pyrimidine-2,4-dione
Formula:	C6 H8 N2 O2
SMILES:	CCC1=CC(=O)NC(=O)N1
InChi:	InChI=1S/C6H8N2O2/c1-2-4-3-5(9)8-6(10)7-4/h3H,2H2,1H3,(H2,7,8,9,10)
Definition date:	2022-02-15
Last modified:	2022-08-22
Release date:	2022-02-23
Identifier:	6-ethyl-1~{H}-pyrimidine-2,4-dione

I78

I78
Name:	(2~{R})-2-(carboxycarbonylamino)propanoic acid
Formula:	C5 H7 N O5
SMILES:	C[CH](NC(=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C5H7NO5/c1-2(4(8)9)6-3(7)5(10)11/h2H,1H3,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
Synonyms:	N-oxalyl-D-alanine
Definition date:	2022-02-16
Last modified:	2022-08-22
Release date:	2022-04-27
Identifier:	(2~{R})-2-(carboxycarbonylamino)propanoic acid

I7L

I7L
Name:	2-naphthalen-2-ylethanoic acid
Formula:	C12 H10 O2
SMILES:	OC(=O)Cc1ccc2ccccc2c1
InChi:	InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-naphthalen-2-ylethanoic acid

I7O

I7O
Name:	2-indol-1-ylethanoic acid
Formula:	C10 H9 N O2
SMILES:	OC(=O)Cn1ccc2ccccc12
InChi:	InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-indol-1-ylethanoic acid

I7S

I7S
Name:	6-methylpyridine-2,3-dicarboxylic acid
Formula:	C8 H7 N O4
SMILES:	Cc1ccc(C(O)=O)c(n1)C(O)=O
InChi:	InChI=1S/C8H7NO4/c1-4-2-3-5(7(10)11)6(9-4)8(12)13/h2-3H,1H3,(H,10,11)(H,12,13)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	6-methylpyridine-2,3-dicarboxylic acid

I7W

I7W
Name:	6-fluoranylnaphthalene-2-carboxylic acid
Formula:	C11 H7 F O2
SMILES:	OC(=O)c1ccc2cc(F)ccc2c1
InChi:	InChI=1S/C11H7FO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	6-fluoranylnaphthalene-2-carboxylic acid

I7Z

I7Z
Name:	2-azanyl-4-chloranyl-benzenecarbonitrile
Formula:	C7 H5 Cl N2
SMILES:	Nc1cc(Cl)ccc1C#N
InChi:	InChI=1S/C7H5ClN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-06-29
Identifier:	2-azanyl-4-chloranyl-benzenecarbonitrile

I82

I82
Name:	~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C12 H11 N5
SMILES:	CNc1ncnc2c([nH]nc12)c3ccccc3
InChi:	InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15)
Definition date:	2022-02-17
Last modified:	2022-08-22
Release date:	2022-03-02
Identifier:	~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

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