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PDB Info pages Status search Chemie search: 35611 results BIRD

KOE

KOE
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C20 H17 Br F3 N3 O4 S
SMILES:	OC[CH]1O[CH](Sc2cccc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C20H17BrF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

KON

KON
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C20 H17 F3 I N3 O4 S
SMILES:	OC[CH]1O[CH](Sc2cccc(I)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C20H17F3IN3O4S/c21-12-4-9(5-13(22)16(12)23)14-7-27(26-25-14)17-18(29)15(8-28)31-20(19(17)30)32-11-3-1-2-10(24)6-11/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

KOQ

KOQ
Name:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C20 H26 F N3 O9 S
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccc(F)cc4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H26FN3O9S/c21-9-3-1-8(2-4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

KOW

KOW
Name:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C20 H26 F N3 O9 S
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H26FN3O9S/c21-9-3-1-2-8(4-9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

KOZ

KOZ
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C20 H17 Cl F3 N3 O4 S
SMILES:	OC[CH]1O[CH](Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C20H17ClF3N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

KP5

KP5
Name:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C20 H26 F N3 O9 S
SMILES:	OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(nn3)c4ccccc4F)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C20H26FN3O9S/c21-9-4-2-1-3-8(9)10-5-24(23-22-10)13-14(27)11(6-25)32-19(16(13)29)34-20-18(31)17(30)15(28)12(7-26)33-20/h1-5,11-20,25-31H,6-7H2/t11-,12-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol

KP8

KP8
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C20 H18 F3 N3 O4 S
SMILES:	OC[CH]1O[CH](Sc2ccccc2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C20H18F3N3O4S/c21-12-6-10(7-13(22)16(12)23)14-8-26(25-24-14)17-18(28)15(9-27)30-20(19(17)29)31-11-4-2-1-3-5-11/h1-8,15,17-20,27-29H,9H2/t15-,17+,18+,19-,20-/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

KPB

KPB
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C20 H17 F4 N3 O4 S
SMILES:	OC[CH]1O[CH](Sc2cccc(F)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C20H17F4N3O4S/c21-10-2-1-3-11(6-10)32-20-19(30)17(18(29)15(8-28)31-20)27-7-14(25-26-27)9-4-12(22)16(24)13(23)5-9/h1-7,15,17-20,28-30H,8H2/t15-,17+,18+,19-,20-/m1/s1
Definition date:	2019-06-13
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

L95

L95
Name:	[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate
Formula:	C32 H55 N O7
SMILES:	CCC=C[CH](C)[CH](OC(N)=O)[CH](C)[CH](O)[CH](C)CC(C)=C[CH](C)[CH](O)[CH](C)C=C[CH](O)C[CH]1OC(=O)CC[CH]1C
InChi:	InChI=1S/C32H55NO7/c1-9-10-11-22(5)31(40-32(33)38)25(8)30(37)24(7)17-19(2)16-23(6)29(36)21(4)12-14-26(34)18-27-20(3)13-15-28(35)39-27/h10-12,14,16,20-27,29-31,34,36-37H,9,13,15,17-18H2,1-8H3,(H2,33,38)/b11-10-,14-12-,19-16-/t20-,21+,22+,23+,24+,25+,26-,27+,29+,30-,31+/m1/s1
Definition date:	2019-07-30
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	[(3~{Z},5~{S},6~{S},7~{S},8~{R},9~{S},11~{Z},13~{S},14~{S},15~{S},16~{Z},18~{S})-5,7,9,11,13,15-hexamethyl-19-[(2~{S},3~{R})-3-methyl-6-oxidanylidene-oxan-2-yl]-8,14,18-tris(oxidanyl)nonadeca-3,11,16-trien-6-yl] carbamate

MU2

MU2
Name:	N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINE
Formula:	C19 H32 N4 O11
SMILES:	O=C(O)C(NC(=O)C(NC(=O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C)CCC(=O)N
InChi:	InChI=1S/C19H32N4O11/c1-7(16(28)23-10(18(30)31)4-5-12(20)26)21-17(29)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)27/h7-8,10-11,13-15,19,24,27,32H,4-6H2,1-3H3,(H2,20,26)(H,21,29)(H,22,25)(H,23,28)(H,30,31)/t7-,8+,10+,11+,13+,14+,15+,19-/m0/s1
Definition date:	2006-07-11
Last modified:	2020-07-03
Identifier:	(2R)-2-{[(2S)-2-{[(2R)-2-{[(2S,3R,4R,5S,6R)-3-(acetylamino)-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name)

MU8

MU8
Name:	(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide
Formula:	C26 H24 Cl N3 O3
SMILES:	N[CH]1COc2cc(ccc12)C(=O)N3C[CH](C[CH]3C(=O)Nc4cccc(Cl)c4)c5ccccc5
InChi:	InChI=1S/C26H24ClN3O3/c27-19-7-4-8-20(13-19)29-25(31)23-11-18(16-5-2-1-3-6-16)14-30(23)26(32)17-9-10-21-22(28)15-33-24(21)12-17/h1-10,12-13,18,22-23H,11,14-15,28H2,(H,29,31)/t18-,22+,23-/m0/s1
Definition date:	2019-10-23
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	(2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide

N4N

N4N
Name:	3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
Formula:	C15 H11 N3 O2 S
SMILES:	OC(=O)c1cccc(Nc2scc(n2)c3ccccn3)c1
InChi:	InChI=1S/C15H11N3O2S/c19-14(20)10-4-3-5-11(8-10)17-15-18-13(9-21-15)12-6-1-2-7-16-12/h1-9H,(H,17,18)(H,19,20)
Definition date:	2019-11-11
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid

N5Q

N5Q
Name:	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid
Formula:	C20 H14 N2 O3 S
SMILES:	OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O
InChi:	InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25)
Definition date:	2019-11-12
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid

N8K

N8K
Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
Formula:	C25 H23 F N6 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccccn4)n2c5ccccc5F
InChi:	InChI=1S/C25H23FN6O2/c1-2-34-18-10-11-20(28-15-18)24-31-30-23(32(24)22-9-4-3-7-19(22)26)16-13-17(14-16)29-25(33)21-8-5-6-12-27-21/h3-12,15-17H,2,13-14H2,1H3,(H,29,33)/t16-,17-
Definition date:	2019-11-15
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N92

N92
Name:	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid
Formula:	C16 H11 Cl N2 O3 S
SMILES:	OC(=O)c1ccc(Nc2scc(n2)c3ccc(Cl)cc3)cc1O
InChi:	InChI=1S/C16H11ClN2O3S/c17-10-3-1-9(2-4-10)13-8-23-16(19-13)18-11-5-6-12(15(21)22)14(20)7-11/h1-8,20H,(H,18,19)(H,21,22)
Definition date:	2019-11-18
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanyl-benzoic acid

NDQ

NDQ
Name:	2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
Formula:	C12 H19 N4 O8 P2 S
SMILES:	COc1ncc(C[n+]2csc(CCO[P](O)(=O)O[P](O)(O)=O)c2C)c(N)n1
InChi:	InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1
Definition date:	2019-11-26
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

NG5

NG5
Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Formula:	C28 H24 F N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6F
InChi:	InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

NJ2

NJ2
Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
Formula:	C28 H24 F N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5cnccc5n4)n2c6ccccc6F
InChi:	InChI=1S/C28H24FN7O2/c1-2-38-20-8-10-23(31-16-20)27-35-34-26(36(27)25-6-4-3-5-21(25)29)18-13-19(14-18)32-28(37)24-9-7-17-15-30-12-11-22(17)33-24/h3-12,15-16,18-19H,2,13-14H2,1H3,(H,32,37)/t18-,19-
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide

NJB

NJB
Name:	~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Formula:	C28 H24 Cl N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6Cl
InChi:	InChI=1S/C28H24ClN7O2/c1-2-38-19-9-10-23(32-16-19)27-35-34-26(36(27)24-8-4-3-6-21(24)29)17-14-18(15-17)33-28(37)20-11-13-30-22-7-5-12-31-25(20)22/h3-13,16-18H,2,14-15H2,1H3,(H,33,37)/t17-,18-
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

NJH

NJH
Name:	~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
Formula:	C23 H18 Cl N7 O
SMILES:	Clc1ccccc1n2c(nnc2C34CC(C3)(C4)NC(=O)c5ccccn5)c6ccncn6
InChi:	InChI=1S/C23H18ClN7O/c24-15-5-1-2-7-18(15)31-19(16-8-10-25-14-27-16)29-30-21(31)22-11-23(12-22,13-22)28-20(32)17-6-3-4-9-26-17/h1-10,14H,11-13H2,(H,28,32)/t22-,23+
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide

NJK

NJK
Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
Formula:	C28 H24 F N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccc5ncccc5n4)n2c6ccccc6F
InChi:	InChI=1S/C28H24FN7O2/c1-2-38-19-9-10-23(31-16-19)27-35-34-26(36(27)25-8-4-3-6-20(25)29)17-14-18(15-17)32-28(37)24-12-11-21-22(33-24)7-5-13-30-21/h3-13,16-18H,2,14-15H2,1H3,(H,32,37)/t17-,18-
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide

NJN

NJN
Name:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
Formula:	C28 H25 N7 O2
SMILES:	CCOc1ccc(nc1)c2nnc([CH]3C[CH](C3)NC(=O)c4ccnc5cccnc45)n2c6ccccc6
InChi:	InChI=1S/C28H25N7O2/c1-2-37-21-10-11-24(31-17-21)27-34-33-26(35(27)20-7-4-3-5-8-20)18-15-19(16-18)32-28(36)22-12-14-29-23-9-6-13-30-25(22)23/h3-14,17-19H,2,15-16H2,1H3,(H,32,36)/t18-,19-
Definition date:	2019-11-29
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide

NW2

NW2
Name:	2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid
Formula:	C27 H29 N O5
SMILES:	COc1cccc(C(O)=O)c1OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C
InChi:	InChI=1S/C27H29NO5/c1-16(2)19-11-17(9-10-32-26-21(27(29)30)5-4-6-25(26)31-3)12-20(13-19)18-7-8-24-22(14-18)23(28)15-33-24/h4-8,11-14,16,23H,9-10,15,28H2,1-3H3,(H,29,30)/t23-/m1/s1
Definition date:	2019-12-20
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid

NW5

NW5
Name:	2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
Formula:	C27 H26 N2 O4
SMILES:	CC(C)(C#N)c1cc(COc2ccccc2CC(O)=O)cc(c1)c3ccc4OC[CH](N)c4c3
InChi:	InChI=1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1
Definition date:	2019-12-20
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid

NWE

NWE
Name:	2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid
Formula:	C24 H23 N O3
SMILES:	OC(=O)Cc1ccccc1OCc2cccc(c2)c3ccc4CCNCc4c3
InChi:	InChI=1S/C24H23NO3/c26-24(27)14-21-5-1-2-7-23(21)28-16-17-4-3-6-19(12-17)20-9-8-18-10-11-25-15-22(18)13-20/h1-9,12-13,25H,10-11,14-16H2,(H,26,27)
Definition date:	2019-12-20
Last modified:	2020-07-03
Release date:	2020-07-08
Identifier:	2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid

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