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PDB Info pages Status search Chemie search: 5224 results BIRD

V4R

V4R
Name:	3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid
Formula:	C15 H20 O2
SMILES:	O=C(O)c1cc2c(CCCCC2(C)C)cc1C
InChi:	InChI=1S/C15H20O2/c1-10-8-11-6-4-5-7-15(2,3)13(11)9-12(10)14(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic acid

KL3

KL3
Name:	(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Formula:	C17 H15 Cl O2
SMILES:	Clc1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O
InChi:	InChI=1S/C17H15ClO2/c18-14-8-6-11(7-9-14)13-5-4-12-2-1-3-15(17(19)20)16(12)10-13/h4-10,15H,1-3H2,(H,19,20)/t15-/m1/s1
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

WII

WII
Name:	2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C21 H25 N3 O4 S
SMILES:	O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(on1)C(C)(C)C
InChi:	InChI=1S/C21H25N3O4S/c1-21(2,3)20-22-16(24-28-20)15-13-7-4-5-10-14(13)29-18(15)23-17(25)11-8-6-9-12(11)19(26)27/h4-10H2,1-3H3,(H,23,25)(H,26,27)
Definition date:	2023-05-12
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3P)-3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

WJH

WJH
Name:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1COCCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(11-7-8-27-9-13(11)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid

WK0

WK0
Name:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid
Formula:	C18 H18 Br N O2
SMILES:	O=C(O)C1CCN(C)c2ccc(Br)cc2C1c1ccccc1
InChi:	InChI=1S/C18H18BrNO2/c1-20-10-9-14(18(21)22)17(12-5-3-2-4-6-12)15-11-13(19)7-8-16(15)20/h2-8,11,14,17H,9-10H2,1H3,(H,21,22)/t14-,17+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid

TZU

TZU
Name:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Formula:	C17 H16 O5
SMILES:	O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1
InChi:	InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1
Synonyms:	GR24
Definition date:	2022-07-29
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

WMB

WMB
Name:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:	C20 H21 N3 O5 S
SMILES:	O=C(O)C=1CCOCC=1C(=O)Nc1sc2CCCCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H21N3O5S/c24-17(13-9-27-8-7-11(13)20(25)26)22-19-15(12-3-1-2-4-14(12)29-19)18-21-16(23-28-18)10-5-6-10/h10H,1-9H2,(H,22,24)(H,25,26)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid

WML

WML
Name:	(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
Formula:	C16 H20 Br N O3
SMILES:	O=C(O)C1c2cc(Br)ccc2NC(=O)C1CCCCCC
InChi:	InChI=1S/C16H20BrNO3/c1-2-3-4-5-6-11-14(16(20)21)12-9-10(17)7-8-13(12)18-15(11)19/h7-9,11,14H,2-6H2,1H3,(H,18,19)(H,20,21)/t11-,14+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3S,4R)-6-bromo-3-hexyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

WN0

WN0
Name:	5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole
Formula:	C17 H21 N5
SMILES:	C(Cc1nnn[NH]1)n1c2CCCCCCc2c2ccccc12
InChi:	InChI=1S/C17H21N5/c1-2-4-9-15-13(7-3-1)14-8-5-6-10-16(14)22(15)12-11-17-18-20-21-19-17/h5-6,8,10H,1-4,7,9,11-12H2,(H,18,19,20,21)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[2-(1H-tetrazol-5-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indole

WN5

WN5
Name:	(3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
Formula:	C21 H23 N5 O2
SMILES:	n1c2CCCCCc2c(c2ccccc2)c(c1OC1CCOC1)c1nnn[NH]1
InChi:	InChI=1S/C21H23N5O2/c1-3-7-14(8-4-1)18-16-9-5-2-6-10-17(16)22-21(28-15-11-12-27-13-15)19(18)20-23-25-26-24-20/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,23,24,25,26)/t15-/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-2-{[(3S)-oxolan-3-yl]oxy}-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

UUX

UUX
Name:	(2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine
Formula:	C24 H29 N5
SMILES:	CC(C)(C)C1NC(Cc2ccccc2)=C(C)C(C1c1nnn[NH]1)c1ccccc1
InChi:	InChI=1S/C24H29N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14,20-22,25H,15H2,1-4H3,(H,26,27,28,29)/t20-,21+,22-/m1/s1
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine

WOU

WOU
Name:	(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C19 H23 N3 O4 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1
InChi:	InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m0/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

WP0

WP0
Name:	(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid
Formula:	C19 H23 N3 O4 S
SMILES:	O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCc2c1c1nc(C)no1
InChi:	InChI=1S/C19H23N3O4S/c1-10-20-17(26-22-10)15-13-8-4-5-9-14(13)27-18(15)21-16(23)11-6-2-3-7-12(11)19(24)25/h11-12H,2-9H2,1H3,(H,21,23)(H,24,25)/t11-,12+/m1/s1
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(1R,2R)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

VS5

VS5
Name:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine
Formula:	C20 H21 F N6 O
SMILES:	Fc1ccc(cc1)c1c2COCCc2nc(c1c1nnn[NH]1)N1CCCCC1
InChi:	InChI=1S/C20H21FN6O/c21-14-6-4-13(5-7-14)17-15-12-28-11-8-16(15)22-20(27-9-2-1-3-10-27)18(17)19-23-25-26-24-19/h4-7H,1-3,8-12H2,(H,23,24,25,26)
Definition date:	2023-05-09
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-4-(4-fluorophenyl)-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine

WQH

WQH
Name:	5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole
Formula:	C15 H14 N4 O
SMILES:	Cc1ccc(cc1Oc1ccccc1)Cc1nnn[NH]1
InChi:	InChI=1S/C15H14N4O/c1-11-7-8-12(10-15-16-18-19-17-15)9-14(11)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,16,17,18,19)
Definition date:	2023-05-15
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole

L8T

L8T
Name:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
Formula:	C18 H21 N O5 S
SMILES:	O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C(=O)OCC
InChi:	InChI=1S/C18H21NO5S/c1-2-24-18(23)14-12-6-3-4-9-13(12)25-16(14)19-15(20)10-7-5-8-11(10)17(21)22/h2-9H2,1H3,(H,19,20)(H,21,22)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid

K4I

K4I
Name:	(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Formula:	C23 H27 F N4 O3
SMILES:	CC1=C(CCN2CCC(CC2)c3noc4cc(F)ccc34)C(=O)N5CCC[CH](O)C5=N1
InChi:	InChI=1S/C23H27FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3/t19-/m1/s1
Definition date:	2022-09-07
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

K7C

K7C
Name:	(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine
Formula:	C25 H30 F N5 O
SMILES:	Fc1ccc(cc1)c1c(c(nc(C2CCCC2)c1C)C1(COC)CCCC1)c1nnn[NH]1
InChi:	InChI=1S/C25H30FN5O/c1-16-20(17-9-11-19(26)12-10-17)21(24-28-30-31-29-24)23(25(15-32-2)13-5-6-14-25)27-22(16)18-7-3-4-8-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,28,29,30,31)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine

LM9

LM9
Name:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
Formula:	C13 H8 Cl2 N4 O
SMILES:	Clc1ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1
InChi:	InChI=1S/C13H8Cl2N4O/c14-8-5-6-12(10(15)7-8)20-11-4-2-1-3-9(11)13-16-18-19-17-13/h1-7H,(H,16,17,18,19)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole

N1I

N1I
Name:	3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
Formula:	C10 H8 Cl2 N4 O2
SMILES:	OC(=O)CCn1nc(nn1)c1cc(Cl)cc(Cl)c1
InChi:	InChI=1S/C10H8Cl2N4O2/c11-7-3-6(4-8(12)5-7)10-13-15-16(14-10)2-1-9(17)18/h3-5H,1-2H2,(H,17,18)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid

Q1I

Q1I
Name:	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Formula:	C22 H28 N6
SMILES:	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1
InChi:	InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine

Q4X

Q4X
Name:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid
Formula:	C20 H19 F2 N3 O5 S
SMILES:	O=C(O)C=1CCOCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(no1)C1CC1
InChi:	InChI=1S/C20H19F2N3O5S/c21-20(22)5-3-11-13(7-20)31-18(14(11)17-23-15(25-30-17)9-1-2-9)24-16(26)12-8-29-6-4-10(12)19(27)28/h9H,1-8H2,(H,24,26)(H,27,28)
Definition date:	2023-05-05
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	5-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,6-dihydro-2H-pyran-4-carboxylic acid

QD3

QD3
Name:	4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid
Formula:	C13 H17 F3 N2 O2
SMILES:	FC(F)(F)c1nn(CCCC(=O)O)c2CCCCCc12
InChi:	InChI=1S/C13H17F3N2O2/c14-13(15,16)12-9-5-2-1-3-6-10(9)18(17-12)8-4-7-11(19)20/h1-8H2,(H,19,20)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid

QJQ

QJQ
Name:	2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid
Formula:	C20 H20 F2 N2 O3 S2
SMILES:	O=C(O)C=1CCCCC=1C(=O)Nc1sc2CC(F)(F)CCc2c1c1nc(C)cs1
InChi:	InChI=1S/C20H20F2N2O3S2/c1-10-9-28-17(23-10)15-13-6-7-20(21,22)8-14(13)29-18(15)24-16(25)11-4-2-3-5-12(11)19(26)27/h9H,2-8H2,1H3,(H,24,25)(H,26,27)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

QJX

QJX
Name:	(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine
Formula:	C20 H25 N7
SMILES:	CCN(CC)c1nc2CCCCCc2c(c1c1nnn[NH]1)c1ccncc1
InChi:	InChI=1S/C20H25N7/c1-3-27(4-2)20-18(19-23-25-26-24-19)17(14-10-12-21-13-11-14)15-8-6-5-7-9-16(15)22-20/h10-13H,3-9H2,1-2H3,(H,23,24,25,26)
Definition date:	2023-05-08
Last modified:	2023-06-09
Release date:	2023-06-14
Identifier:	(3M)-N,N-diethyl-4-(pyridin-4-yl)-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine

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數據於2024-09-11公開中

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