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PDB Info pages Status search Chemie search: 44216 results BIRD

EIL

EIL
Name:	[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C13 H15 N2 O7 P
SMILES:	CC1=CC(=NCc2c(O)c(C)ncc2CO[P](O)(O)=O)C(=O)O1
InChi:	InChI=1S/C13H15N2O7P/c1-7-3-11(13(17)22-7)15-5-10-9(6-21-23(18,19)20)4-14-8(2)12(10)16/h3-4,16H,5-6H2,1-2H3,(H2,18,19,20)/b15-11+
Definition date:	2022-04-19
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	[6-methyl-4-[[(5-methyl-2-oxidanylidene-furan-3-ylidene)amino]methyl]-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

IVG

IVG
Name:	D-Xylose, 4-O-beta-D-xylopyranosyl-
Formula:	C10 H18 O9
SMILES:	OC[CH](O[CH]1OC[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)C=O
InChi:	InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
Synonyms:	Xylobiose
Definition date:	2022-04-14
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	(2~{R},3~{R},4~{R})-2,3,5-tris(oxidanyl)-4-[(2~{S},3~{R},4~{S},5~{R})-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-pentanal

JFC

JFC
Name:	ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate
Formula:	C22 H25 N3 O3
SMILES:	CCOC(=O)c1cc2cc(ccc2n1CCN3CCOCC3)c4ccncc4
InChi:	InChI=1S/C22H25N3O3/c1-2-28-22(26)21-16-19-15-18(17-5-7-23-8-6-17)3-4-20(19)25(21)10-9-24-11-13-27-14-12-24/h3-8,15-16H,2,9-14H2,1H3
Definition date:	2022-04-26
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	ethyl 1-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate

JUR

JUR
Name:	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide
Formula:	C20 H23 N5 O
SMILES:	NC(=O)c1cc2cc(ccc2n1CCN3CCNCC3)c4ccncc4
InChi:	InChI=1S/C20H23N5O/c21-20(26)19-14-17-13-16(15-3-5-22-6-4-15)1-2-18(17)25(19)12-11-24-9-7-23-8-10-24/h1-6,13-14,23H,7-12H2,(H2,21,26)
Definition date:	2022-05-09
Last modified:	2023-03-31
Release date:	2023-04-05
Identifier:	1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole-2-carboxamide

LWF

LWF
Name:	(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid
Formula:	C7 H10 F2 O2
SMILES:	OC(=O)[CH]1CCCC(F)(F)C1
InChi:	InChI=1S/C7H10F2O2/c8-7(9)3-1-2-5(4-7)6(10)11/h5H,1-4H2,(H,10,11)/t5-/m1/s1
Definition date:	2022-12-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid

ZIM

ZIM
Name:	N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H16 Cl N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1
InChi:	InChI=1S/C16H16ClN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
Definition date:	2023-03-13
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZJ8

ZJ8
Name:	4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide
Formula:	C13 H19 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)NCCC)c1ccco1
InChi:	InChI=1S/C13H19N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h3-4,10H,2,5-9H2,1H3,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide

ZJE

ZJE
Name:	N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3 S
SMILES:	O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1
InChi:	InChI=1S/C15H21N3O3S/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h2,4,10,12H,1,3,5-9,11H2,(H,16,20)/t12-/m0/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZJI

ZJI
Name:	N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C13 H17 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)NC1CC1)c1ccco1
InChi:	InChI=1S/C13H17N3O3/c17-12(11-2-1-9-19-11)15-5-7-16(8-6-15)13(18)14-10-3-4-10/h1-2,9-10H,3-8H2,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZJN

ZJN
Name:	(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
Formula:	C27 H29 N5 O4
SMILES:	O=C(N1CCN(CC1)C(=O)NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1
InChi:	InChI=1S/C27H29N5O4/c33-25(28-29-27(35)31-14-12-30(13-15-31)26(34)24-11-6-16-36-24)23-17-21-9-4-5-10-22(21)19-32(23)18-20-7-2-1-3-8-20/h1-11,16,23H,12-15,17-19H2,(H,28,33)(H,29,35)/t23-/m0/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

ZJR

ZJR
Name:	4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide
Formula:	C13 H15 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)NCC#C)c1ccco1
InChi:	InChI=1S/C13H15N3O3/c1-2-5-14-13(18)16-8-6-15(7-9-16)12(17)11-4-3-10-19-11/h1,3-4,10H,5-9H2,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide

ZJW

ZJW
Name:	N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H24 N6 O2 S
SMILES:	Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1cnnc1CC
InChi:	InChI=1S/C17H24N6O2S/c1-3-15-20-19-12-23(15)7-6-18-17(25)22-10-8-21(9-11-22)16(24)14-5-4-13(2)26-14/h4-5,12H,3,6-11H2,1-2H3,(H,18,25)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide

ZK0

ZK0
Name:	N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide
Formula:	C21 H30 N4 O2
SMILES:	O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C)C(C)(C)c2c1
InChi:	InChI=1S/C21H30N4O2/c1-14-21(5,6)16-13-15(7-8-17(16)22-14)18(26)24-9-11-25(12-10-24)19(27)23-20(2,3)4/h7-8,13H,9-12H2,1-6H3,(H,23,27)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide

ZK6

ZK6
Name:	4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide
Formula:	C16 H17 N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1
InChi:	InChI=1S/C16H17N3O3/c20-15(14-7-4-12-22-14)18-8-10-19(11-9-18)16(21)17-13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide

UHI

UHI
Name:	(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one
Formula:	C21 H21 N O4 S
SMILES:	CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(OCC2CC2)cc1
InChi:	InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
Synonyms:	Trotabresib
Definition date:	2022-08-18
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one

ZKC

ZKC
Name:	tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate
Formula:	C22 H28 N4 O5
SMILES:	O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(C)C)c1)c1ccco1
InChi:	InChI=1S/C22H28N4O5/c1-22(2,3)31-21(29)24-17-7-4-6-16(14-17)15-23-20(28)26-11-9-25(10-12-26)19(27)18-8-5-13-30-18/h4-8,13-14H,9-12,15H2,1-3H3,(H,23,28)(H,24,29)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate

ZKH

ZKH
Name:	N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O3 S
SMILES:	O=C(N1CCN(CC1)C(=O)NCCOC)c1cccs1
InChi:	InChI=1S/C13H19N3O3S/c1-19-9-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-10-20-11/h2-3,10H,4-9H2,1H3,(H,14,18)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZKL

ZKL
Name:	(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
Formula:	C15 H23 N3 O3
SMILES:	O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1
InChi:	InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-9-8-17(11-12(18)2)14(19)13-6-5-10-21-13/h5-6,10,12H,3-4,7-9,11H2,1-2H3,(H,16,20)/t12-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide

ZKQ

ZKQ
Name:	N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H16 F N3 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1
InChi:	InChI=1S/C16H16FN3O3/c17-12-4-1-2-5-13(12)18-16(22)20-9-7-19(8-10-20)15(21)14-6-3-11-23-14/h1-6,11H,7-10H2,(H,18,22)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

ZKU

ZKU
Name:	4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide
Formula:	C15 H16 N4 O3
SMILES:	O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1
InChi:	InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide

ZKZ

ZKZ
Name:	N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
Formula:	C18 H21 N3 O4
SMILES:	CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc2)o1
InChi:	InChI=1S/C18H21N3O4/c1-19-18(23)21-11-9-20(10-12-21)17(22)16-8-7-15(25-16)13-24-14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,19,23)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide

ZL3

ZL3
Name:	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O3
SMILES:	O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1
InChi:	InChI=1S/C14H21N3O3/c1-10(2)15-14(19)16-6-7-17(11(3)9-16)13(18)12-5-4-8-20-12/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,15,19)/t11-/m1/s1
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide

YX5

YX5
Name:	N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide
Formula:	C19 H22 N6 O3 S
SMILES:	O=C(Cc1ccc(NS(=O)(=O)CC)cc1)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C19H22N6O3S/c1-2-29(27,28)23-16-5-3-15(4-6-16)13-19(26)25-11-9-24(10-12-25)18-8-7-17(14-20)21-22-18/h3-8,23H,2,9-13H2,1H3
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-cyanopyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)ethanesulfonamide

ZL8

ZL8
Name:	4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide
Formula:	C23 H27 Cl N4 O3 S
SMILES:	Clc1cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1CCc2sccc2C1
InChi:	InChI=1S/C23H27ClN4O3S/c24-19-4-1-3-17(15-19)22(30)26-9-2-10-27(13-12-26)23(31)25-8-5-21(29)28-11-6-20-18(16-28)7-14-32-20/h1,3-4,7,14-15H,2,5-6,8-13,16H2,(H,25,31)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide

ZLC

ZLC
Name:	4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
Formula:	C16 H19 N3 O3 S
SMILES:	O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o1
InChi:	InChI=1S/C16H19N3O3S/c1-12-4-5-14(22-12)15(20)18-6-8-19(9-7-18)16(21)17-11-13-3-2-10-23-13/h2-5,10H,6-9,11H2,1H3,(H,17,21)
Definition date:	2023-03-14
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide

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