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PDB Info pages Status search Chemie search: 43846 results BIRD

A1B87

A1B87
Name:	benzyl (3-{[4-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate
Formula:	C23 H22 Cl N3 O3
SMILES:	Clc1cc(cc(NC(=O)OCc2ccccc2)c1)C(=O)Nc1ccc(CCN)cc1
InChi:	InChI=1S/C23H22ClN3O3/c24-19-12-18(22(28)26-20-8-6-16(7-9-20)10-11-25)13-21(14-19)27-23(29)30-15-17-4-2-1-3-5-17/h1-9,12-14H,10-11,15,25H2,(H,26,28)(H,27,29)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	benzyl (3-{[4-(2-aminoethyl)phenyl]carbamoyl}-5-chlorophenyl)carbamate

A1B8Q

A1B8Q
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide
Formula:	C15 H12 F N5 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]nnc12
InChi:	InChI=1S/C15H12FN5O/c16-10-4-12(14-13(5-10)19-21-20-14)15(22)18-11-2-1-8-6-17-7-9(8)3-11/h1-5,17H,6-7H2,(H,18,22)(H,19,20,21)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-1,2,3-benzotriazole-4-carboxamide

A1B8R

A1B8R
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide
Formula:	C17 H13 F3 N4 O
SMILES:	FC(F)(F)c1nc2cccc(c2[NH]1)C(=O)Nc1ccc2CNCc2c1
InChi:	InChI=1S/C17H13F3N4O/c18-17(19,20)16-23-13-3-1-2-12(14(13)24-16)15(25)22-11-5-4-9-7-21-8-10(9)6-11/h1-6,21H,7-8H2,(H,22,25)(H,23,24)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-(trifluoromethyl)-1H-1,3-benzimidazole-7-carboxamide

A1B8U

A1B8U
Name:	3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide
Formula:	C16 H14 N4 O2
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cccc2onc(N)c12
InChi:	InChI=1S/C16H14N4O2/c17-15-14-12(2-1-3-13(14)22-20-15)16(21)19-11-5-4-9-7-18-8-10(9)6-11/h1-6,18H,7-8H2,(H2,17,20)(H,19,21)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-amino-N-(2,3-dihydro-1H-isoindol-5-yl)-1,2-benzoxazole-4-carboxamide

A1B8V

A1B8V
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide
Formula:	C17 H16 N4 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cccc2nn(C)cc12
InChi:	InChI=1S/C17H16N4O/c1-21-10-15-14(3-2-4-16(15)20-21)17(22)19-13-6-5-11-8-18-9-12(11)7-13/h2-7,10,18H,8-9H2,1H3,(H,19,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-methyl-2H-indazole-4-carboxamide

A1B8Y

A1B8Y
Name:	(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide
Formula:	C17 H21 F2 N3 O
SMILES:	CC1CC2(CC(F)(F)C2)CN1C(=O)Nc1cc2CNCc2cc1
InChi:	InChI=1S/C17H21F2N3O/c1-11-5-16(8-17(18,19)9-16)10-22(11)15(23)21-14-3-2-12-6-20-7-13(12)4-14/h2-4,11,20H,5-10H2,1H3,(H,21,23)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(7R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane-6-carboxamide

A1B8Z

A1B8Z
Name:	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide
Formula:	C18 H15 Cl N4 O
SMILES:	Clc1cc(c(cc1)n1ccnc1)C(=O)Nc1cc2CNCc2cc1
InChi:	InChI=1S/C18H15ClN4O/c19-14-2-4-17(23-6-5-20-11-23)16(8-14)18(24)22-15-3-1-12-9-21-10-13(12)7-15/h1-8,11,21H,9-10H2,(H,22,24)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2M)-5-chloro-N-(2,3-dihydro-1H-isoindol-5-yl)-2-(1H-imidazol-1-yl)benzamide

A1B9A

A1B9A
Name:	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C19 H19 N5 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(nc2c1cnn2C)C1CC1
InChi:	InChI=1S/C19H19N5O/c1-24-18-16(10-21-24)15(7-17(23-18)11-2-3-11)19(25)22-14-5-4-12-8-20-9-13(12)6-14/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,25)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	6-cyclopropyl-N-(2,3-dihydro-1H-isoindol-5-yl)-1-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

A1B9B

A1B9B
Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide
Formula:	C20 H22 Cl N5 O
SMILES:	CCCNC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12
InChi:	InChI=1S/C20H22ClN5O/c1-2-5-23-20(27)19(16-7-14(21)8-18-17(16)11-24-26-18)25-15-4-3-12-9-22-10-13(12)6-15/h3-4,6-8,11,19,22,25H,2,5,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-propylacetamide

A1B9E

A1B9E
Name:	(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide
Formula:	C21 H22 Cl F2 N3 O
SMILES:	FC(F)CNC(=O)C(Nc1ccc2CNCc2c1)c1cc(cc(Cl)c1)C1CC1
InChi:	InChI=1S/C21H22ClF2N3O/c22-17-6-14(12-1-2-12)5-15(7-17)20(21(28)26-11-19(23)24)27-18-4-3-13-9-25-10-16(13)8-18/h3-8,12,19-20,25,27H,1-2,9-11H2,(H,26,28)/t20-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(3-chloro-5-cyclopropylphenyl)-N-(2,2-difluoroethyl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]acetamide

A1B9F

A1B9F
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide
Formula:	C16 H13 F N4 O
SMILES:	O=C(Nc1cc2CNCc2cc1)c1cc(F)cc2[NH]ncc12
InChi:	InChI=1S/C16H13FN4O/c17-11-4-13(14-8-19-21-15(14)5-11)16(22)20-12-2-1-9-6-18-7-10(9)3-12/h1-5,8,18H,6-7H2,(H,19,21)(H,20,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1H-indazole-4-carboxamide

A1B9J

A1B9J
Name:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide
Formula:	C16 H14 N4 O2
SMILES:	O=C1Nc2cccc(c2N1)C(=O)Nc1ccc2CNCc2c1
InChi:	InChI=1S/C16H14N4O2/c21-15(12-2-1-3-13-14(12)20-16(22)19-13)18-11-5-4-9-7-17-8-10(9)6-11/h1-6,17H,7-8H2,(H,18,21)(H2,19,20,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-(2,3-dihydro-1H-isoindol-5-yl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-4-carboxamide

A1B9M

A1B9M
Name:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide
Formula:	C20 H22 Cl N5 O
SMILES:	CC(C)NC(=O)C(Nc1cc2CNCc2cc1)c1cc(Cl)cc2[NH]ncc12
InChi:	InChI=1S/C20H22ClN5O/c1-11(2)24-20(27)19(16-6-14(21)7-18-17(16)10-23-26-18)25-15-4-3-12-8-22-9-13(12)5-15/h3-7,10-11,19,22,25H,8-9H2,1-2H3,(H,23,26)(H,24,27)/t19-/m1/s1
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2R)-2-(6-chloro-1H-indazol-4-yl)-2-[(2,3-dihydro-1H-isoindol-5-yl)amino]-N-(propan-2-yl)acetamide

A1B9N

A1B9N
Name:	3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
Formula:	C15 H13 Cl N6 O
SMILES:	NCc1cc(cc(Cl)c1)C(=O)Nc1cccc(c1)c1n[NH]nn1
InChi:	InChI=1S/C15H13ClN6O/c16-12-5-9(8-17)4-11(6-12)15(23)18-13-3-1-2-10(7-13)14-19-21-22-20-14/h1-7H,8,17H2,(H,18,23)(H,19,20,21,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-(aminomethyl)-5-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

A1B9O

A1B9O
Name:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide
Formula:	C18 H20 N4 O
SMILES:	NCc1cc(ccc1)NC(=O)c1cccc2[NH]c(nc12)C(C)C
InChi:	InChI=1S/C18H20N4O/c1-11(2)17-21-15-8-4-7-14(16(15)22-17)18(23)20-13-6-3-5-12(9-13)10-19/h3-9,11H,10,19H2,1-2H3,(H,20,23)(H,21,22)
Definition date:	2025-04-11
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	N-[3-(aminomethyl)phenyl]-2-(propan-2-yl)-1H-1,3-benzimidazole-4-carboxamide

A1BZA

A1BZA
Name:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide
Formula:	C17 H10 Cl F3 N2 O2
SMILES:	Clc1cccc(c1)C(=O)Nc1cc(cc(c1)c1cnco1)C(F)(F)F
InChi:	InChI=1S/C17H10ClF3N2O2/c18-13-3-1-2-10(5-13)16(24)23-14-6-11(15-8-22-9-25-15)4-12(7-14)17(19,20)21/h1-9H,(H,23,24)
Definition date:	2025-03-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]benzamide

A1BZB

A1BZB
Name:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide
Formula:	C18 H17 Cl N2 O3 S
SMILES:	Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C
InChi:	InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3
Definition date:	2025-03-06
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide

A1L1E

A1L1E
Name:	NE52-QQ57
Formula:	C24 H28 N6 O
SMILES:	CCc1nn2c(C)cc(C)nc2c1Cc3ccc(cc3)c4oc(nn4)C5CCNCC5
InChi:	InChI=1S/C24H28N6O/c1-4-21-20(22-26-15(2)13-16(3)30(22)29-21)14-17-5-7-18(8-6-17)23-27-28-24(31-23)19-9-11-25-12-10-19/h5-8,13,19,25H,4,9-12,14H2,1-3H3
Synonyms:	2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole
Definition date:	2024-05-01
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-[4-[(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]-5-piperidin-4-yl-1,3,4-oxadiazole

A1L6M

A1L6M
Name:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
Formula:	C48 H62 N4 O8
SMILES:	CCC1=C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)[CH](O)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=C3CCC(O)=O)CO)c(CCC(O)=O)c2C
InChi:	InChI=1S/C48H62N4O8/c1-9-33-31(7)47(59)52-39(33)23-37-30(6)34(19-21-44(55)56)40(49-37)25-41-35(20-22-45(57)58)36(26-53)42(50-41)24-38-32(8)46(48(60)51-38)43(54)18-12-17-29(5)16-11-15-28(4)14-10-13-27(2)3/h13,15,17,23-25,43,49,53-54H,9-12,14,16,18-22,26H2,1-8H3,(H,51,60)(H,52,59)(H,55,56)(H,57,58)/b28-15-,29-17+,38-24-,39-23-,41-25-/t43-/m0/s1
Definition date:	2024-12-04
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	3-[5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[4-(hydroxymethyl)-3-(3-hydroxy-3-oxopropyl)-5-[(~{Z})-[3-methyl-5-oxidanylidene-4-[(1~{S},4~{E},8~{Z})-5,9,13-trimethyl-1-oxidanyl-tetradeca-4,8,12-trienyl]pyrrol-2-ylidene]methyl]pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid

KDH

KDH
Name:	(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Formula:	C22 H18 O11
SMILES:	O=C(OC2Cc3c(OC2c1cc(O)c(O)c(O)c1)cc(O)cc3O)c4cc(O)c(O)c(O)c4
InChi:	InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
Synonyms:	(-)-Epigallocatechin-3-gallate
Definition date:	2009-01-13
Last modified:	2025-04-18
Identifier:	(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

A1I57

A1I57
Name:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C27 H35 F N4 O4 S
SMILES:	C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3)c4scnc4C
InChi:	InChI=1S/C27H35FN4O4S/c1-15(17-6-8-18(9-7-17)21-16(2)29-14-37-21)30-23(34)20-12-19(33)13-32(20)24(35)22(26(3,4)5)31-25(36)27(28)10-11-27/h6-9,14-15,19-20,22,33H,10-13H2,1-5H3,(H,30,34)(H,31,36)/t15-,19+,20-,22+/m0/s1
Definition date:	2025-03-17
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1I58

A1I58
Name:	(2~{S},4~{R})-1-[(2~{S})-1-(1-fluoranylcyclopropyl)carbonylpiperidin-2-yl]carbonyl-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C27 H33 F N4 O4 S
SMILES:	C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH]2CCCCN2C(=O)C3(F)CC3)c4ccc(cc4)c5scnc5C
InChi:	InChI=1S/C27H33FN4O4S/c1-16(18-6-8-19(9-7-18)23-17(2)29-15-37-23)30-24(34)22-13-20(33)14-32(22)25(35)21-5-3-4-12-31(21)26(36)27(28)10-11-27/h6-9,15-16,20-22,33H,3-5,10-14H2,1-2H3,(H,30,34)/t16-,20+,21-,22-/m0/s1
Definition date:	2025-03-17
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(2~{S},4~{R})-1-[(2~{S})-1-(1-fluoranylcyclopropyl)carbonylpiperidin-2-yl]carbonyl-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide

A1IER

A1IER
Name:	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol
Formula:	C16 H12 Cl N5 O
SMILES:	O[CH](c1cn(nn1)c2ccccc2)c3cc(Cl)cc4cncn34
InChi:	InChI=1S/C16H12ClN5O/c17-11-6-13-8-18-10-21(13)15(7-11)16(23)14-9-22(20-19-14)12-4-2-1-3-5-12/h1-10,16,23H
Definition date:	2024-06-14
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	(~{R})-(7-chloranylimidazo[1,5-a]pyridin-5-yl)-(1-phenyl-1,2,3-triazol-4-yl)methanol

A1IGZ

A1IGZ
Name:	N-(2-(3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl)ethyl)-2-oxo-2,3-dihydrobenzo[d]oxazole-6-carboxamide
Formula:	C32 H31 F N8 O5 S2
SMILES:	CN(c1scc(n1)c2ccc(F)cc2)c3n4nc(ccc4nc3CCNC(=O)c5ccc6NC(=O)Oc6c5)C7CCN(CC7)[S](C)(=O)=O
InChi:	InChI=1S/C32H31FN8O5S2/c1-39(31-36-26(18-47-31)19-3-6-22(33)7-4-19)30-25(11-14-34-29(42)21-5-8-24-27(17-21)46-32(43)37-24)35-28-10-9-23(38-41(28)30)20-12-15-40(16-13-20)48(2,44)45/h3-10,17-18,20H,11-16H2,1-2H3,(H,34,42)(H,37,43)
Synonyms:	N-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3H-1,3-benzoxazole-6-carboxamide
Definition date:	2024-07-02
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[2-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methyl-amino]-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]ethyl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxamide

6NA

6NA
Name:	HEXANOIC ACID
Formula:	C6 H12 O2
SMILES:	O=C(O)CCCCC
InChi:	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
Definition date:	2006-07-05
Last modified:	2025-04-16
Identifier:	hexanoic acid

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