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PDB Info pages Status search Chemie search: 43993 results BIRD

X8R

X8R
Name:	1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one
Formula:	C10 H16 N2 O2
SMILES:	CC(=O)N1C2CC3CC1CC(C2)N3O
InChi:	InChI=1S/C10H16N2O2/c1-6(13)11-7-2-9-4-8(11)5-10(3-7)12(9)14/h7-10,14H,2-5H2,1H3/t7-,8+,9-,10+
Definition date:	2022-11-07
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	1-[(1r,3r,5r,7r)-6-hydroxy-2,6-diazatricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one

V0Z

V0Z
Name:	N-(4-aminophenyl)-7-methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Formula:	C14 H13 N5 O2
SMILES:	CC1=C(C=NC2=CC(=O)NN12)C(=O)Nc3ccc(N)cc3
InChi:	InChI=1S/C14H13N5O2/c1-8-11(7-16-12-6-13(20)18-19(8)12)14(21)17-10-4-2-9(15)3-5-10/h2-7H,15H2,1H3,(H,17,21)(H,18,20)
Synonyms:	~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide
Definition date:	2021-04-01
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	~{N}-(4-aminophenyl)-7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxamide

UPZ

UPZ
Name:	ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
Formula:	C10 H11 N3 O3
SMILES:	CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1
InChi:	InChI=1S/C10H11N3O3/c1-3-16-10(15)7-5-11-8-4-9(14)12-13(8)6(7)2/h4-5H,3H2,1-2H3,(H,12,14)
Definition date:	2021-03-04
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	ethyl 7-methyl-2-oxidanylidene-1~{H}-pyrazolo[1,5-a]pyrimidine-6-carboxylate

YDG

YDG
Name:	N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide
Formula:	C7 H11 N3 O
SMILES:	O=C(Cn1cccn1)N(C)C
InChi:	InChI=1S/C7H11N3O/c1-9(2)7(11)6-10-5-3-4-8-10/h3-5H,6H2,1-2H3
Definition date:	2023-01-25
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide

KL9

KL9
Name:	7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
Formula:	C23 H27 N5 O S
SMILES:	Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1
InChi:	InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+
Definition date:	2022-02-04
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide

YDU

YDU
Name:	2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
Formula:	C10 H15 N3 O2
SMILES:	O=C(Nc1nc(C)no1)CC1CCCC1
InChi:	InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

YDX

YDX
Name:	N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide
Formula:	C9 H11 N5 O
SMILES:	O=C(Nc1ccn(C)n1)Cn1cccn1
InChi:	InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide

YEB

YEB
Name:	N,N-dimethylmorpholine-4-sulfonamide
Formula:	C6 H14 N2 O3 S
SMILES:	O=S(=O)(N1CCOCC1)N(C)C
InChi:	InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N,N-dimethylmorpholine-4-sulfonamide

YEF

YEF
Name:	4-(4-methoxyphenyl)oxane-4-carboxylic acid
Formula:	C13 H16 O4
SMILES:	OC(=O)C1(CCOCC1)c1ccc(OC)cc1
InChi:	InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	4-(4-methoxyphenyl)oxane-4-carboxylic acid

YEK

YEK
Name:	methyl 1-(methanesulfonyl)-2-methyl-D-prolinate
Formula:	C8 H15 N O4 S
SMILES:	O=S(C)(=O)N1CCCC1(C)C(=O)OC
InChi:	InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	methyl 1-(methanesulfonyl)-2-methyl-D-prolinate

KLU

KLU
Name:	(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Formula:	C11 H11 Cl N2 O3
SMILES:	ClCC(=O)N1CC(Oc2ccccc21)C(N)=O
InChi:	InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1
Definition date:	2022-02-04
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

YER

YER
Name:	3-[(pyrimidin-2-yl)amino]benzoic acid
Formula:	C11 H9 N3 O2
SMILES:	O=C(O)c1cc(ccc1)Nc1ncccn1
InChi:	InChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	3-[(pyrimidin-2-yl)amino]benzoic acid

YEZ

YEZ
Name:	[1]benzofuro[2,3-d]pyridazin-4(3H)-one
Formula:	C10 H6 N2 O2
SMILES:	O=C1NN=Cc2c3ccccc3oc21
InChi:	InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	[1]benzofuro[2,3-d]pyridazin-4(3H)-one

YFN

YFN
Name:	N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
Formula:	C9 H15 N O3 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:	InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m0/s1
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-[(3S)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

WKC

WKC
Name:	5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
Formula:	C25 H34 N8 O2
SMILES:	NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCC(C1)N1CCN(C)C1=O
InChi:	InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m1/s1
Definition date:	2022-09-19
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide

YFR

YFR
Name:	6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one
Formula:	C10 H9 Br O4
SMILES:	Brc1cc2C(=O)OC(C)(C)Oc2cc1O
InChi:	InChI=1S/C10H9BrO4/c1-10(2)14-8-4-7(12)6(11)3-5(8)9(13)15-10/h3-4,12H,1-2H3
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	6-bromo-7-hydroxy-2,2-dimethyl-2H,4H-1,3-benzodioxin-4-one

YG0

YG0
Name:	N-phenylcyclopropanecarboxamide
Formula:	C10 H11 N O
SMILES:	O=C(Nc1ccccc1)C1CC1
InChi:	InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)
Definition date:	2023-01-27
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-phenylcyclopropanecarboxamide

YG5

YG5
Name:	2-(1H-indazol-1-yl)-N,N-dimethylacetamide
Formula:	C11 H13 N3 O
SMILES:	CN(C)C(=O)Cn1ncc2ccccc21
InChi:	InChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
Definition date:	2023-01-27
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	2-(1H-indazol-1-yl)-N,N-dimethylacetamide

YG9

YG9
Name:	(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
Formula:	C13 H16 N2 O3
SMILES:	COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
InChi:	InChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1
Definition date:	2023-01-28
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione

YGR

YGR
Name:	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
Formula:	C31 H37 Br N4 O7
SMILES:	COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC
InChi:	InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
Definition date:	2023-02-01
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol

XZF

XZF
Name:	Polythiazide
Formula:	C11 H13 Cl F3 N3 O4 S3
SMILES:	NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl
InChi:	InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1
Synonyms:	(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
Definition date:	2022-12-15
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

KNX

KNX
Name:	5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine
Formula:	C27 H36 Cl2 N8 O5
SMILES:	O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C27H36Cl2N8O5/c28-17-5-4-15-14(9-32-10-16(15)20(17)29)3-1-2-7-36(8-6-18(30)27(40)41)11-19-22(38)23(39)26(42-19)37-13-35-21-24(31)33-12-34-25(21)37/h4-5,12-14,18-19,22-23,26,32,38-39H,1-3,6-11,30H2,(H,40,41)(H2,31,33,34)/t14-,18-,19+,22+,23+,26+/m0/s1
Definition date:	2022-02-08
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine

YHF

YHF
Name:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine
Formula:	C15 H22 N5 O7 P
SMILES:	O=P(O)(OC1CCCC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C15H22N5O7P/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(26-15)5-25-28(23,24)27-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,23,24)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine

KOC

KOC
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide
Formula:	C35 H40 F2 N5 O7 P S2
SMILES:	O=P(O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1nccs1)C(C)(C)C
InChi:	InChI=1S/C35H40F2N5O7PS2/c1-34(2,3)29(39-30(44)27-20-22-19-23(10-13-26(22)52-27)35(36,37)50(47,48)49)33(46)42-16-6-7-25(42)32(45)41(17-14-28(43)40(4)5)24-11-8-21(9-12-24)31-38-15-18-51-31/h8-13,15,18-20,25,29H,6-7,14,16-17H2,1-5H3,(H,39,44)(H2,47,48,49)/t25-,29+/m0/s1
Synonyms:	AK2305
Definition date:	2022-02-08
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide

YHK

YHK
Name:	5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine
Formula:	C13 H18 N5 O7 P
SMILES:	O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine

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