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Y4Z

Y4Z
Name:	10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide
Formula:	C21 H20 F3 N3 O2
SMILES:	FC(F)(F)Oc1cccc(c1)Cn1c2ccccc2c2CCCN(Cc12)C(N)=O
InChi:	InChI=1S/C21H20F3N3O2/c22-21(23,24)29-15-6-3-5-14(11-15)12-27-18-9-2-1-7-16(18)17-8-4-10-26(20(25)28)13-19(17)27/h1-3,5-7,9,11H,4,8,10,12-13H2,(H2,25,28)
Definition date:	2023-06-11
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	10-{[3-(trifluoromethoxy)phenyl]methyl}-3,4,5,10-tetrahydroazepino[3,4-b]indole-2(1H)-carboxamide

Y9L

Y9L
Name:	[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate
Formula:	C22 H19 F3 N4 O6
SMILES:	FC(F)(F)Oc1ccc(cc1)COC(=O)N1CC2CN(CC2C1)C(=O)c1ccc2NC(=O)Oc2n1
InChi:	InChI=1S/C22H19F3N4O6/c23-22(24,25)35-15-3-1-12(2-4-15)11-33-21(32)29-9-13-7-28(8-14(13)10-29)19(30)17-6-5-16-18(26-17)34-20(31)27-16/h1-6,13-14H,7-11H2,(H,27,31)
Definition date:	2023-06-12
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	[4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(2-oxo-1,2-dihydro[1,3]oxazolo[5,4-b]pyridine-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

YBF

YBF
Name:	(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide
Formula:	C27 H20 N4 O3
SMILES:	[O-][N+](=O)c1cc(ccc1c1cn(Cc2ccccc2)c2ncccc21)C(=O)Nc1ccccc1
InChi:	InChI=1S/C27H20N4O3/c32-27(29-21-10-5-2-6-11-21)20-13-14-22(25(16-20)31(33)34)24-18-30(17-19-8-3-1-4-9-19)26-23(24)12-7-15-28-26/h1-16,18H,17H2,(H,29,32)
Definition date:	2023-06-12
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide

XHH

XHH
Name:	(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine
Formula:	C19 H19 Cl N4 O2
SMILES:	Clc1ccc2c(n1)[NH]nc2c1cc(c(nc1)OC1CCOCC1)C1CC1
InChi:	InChI=1S/C19H19ClN4O2/c20-16-4-3-14-17(23-24-18(14)22-16)12-9-15(11-1-2-11)19(21-10-12)26-13-5-7-25-8-6-13/h3-4,9-11,13H,1-2,5-8H2,(H,22,23,24)
Definition date:	2023-06-06
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(3M)-6-chloro-3-{5-cyclopropyl-6-[(oxan-4-yl)oxy]pyridin-3-yl}-1H-pyrazolo[3,4-b]pyridine

XHU

XHU
Name:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile
Formula:	C23 H16 Cl F N4 O2
SMILES:	Fc1ccc(OC2CC2)cc1c1cc(C#N)c(Cl)cc1OCc1n[NH]c2ncccc21
InChi:	InChI=1S/C23H16ClFN4O2/c24-19-10-22(30-12-21-16-2-1-7-27-23(16)29-28-21)18(8-13(19)11-26)17-9-15(5-6-20(17)25)31-14-3-4-14/h1-2,5-10,14H,3-4,12H2,(H,27,28,29)
Definition date:	2023-06-06
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(1P)-4-chloro-5'-(cyclopropyloxy)-2'-fluoro-6-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy][1,1'-biphenyl]-3-carbonitrile

XK5

XK5
Name:	6-chloro-9-(2-{[(2S)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
Formula:	C18 H21 Cl N2 O3
SMILES:	Clc1cc2c(cc1)n(CCOC1CCCCO1)c1c2CCNC1=O
InChi:	InChI=1S/C18H21ClN2O3/c19-12-4-5-15-14(11-12)13-6-7-20-18(22)17(13)21(15)8-10-24-16-3-1-2-9-23-16/h4-5,11,16H,1-3,6-10H2,(H,20,22)/t16-/m1/s1
Definition date:	2023-06-07
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	6-chloro-9-(2-{[(2R)-oxan-2-yl]oxy}ethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one

XLL

XLL
Name:	4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile
Formula:	C18 H17 Cl N4 O
SMILES:	CC(C)(C)c1cc(Cl)c(C#N)cc1OCc1n[NH]c2ncccc21
InChi:	InChI=1S/C18H17ClN4O/c1-18(2,3)13-8-14(19)11(9-20)7-16(13)24-10-15-12-5-4-6-21-17(12)23-22-15/h4-8H,10H2,1-3H3,(H,21,22,23)
Definition date:	2023-06-07
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile

XV8

XV8
Name:	(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide
Formula:	C22 H18 N4 O3
SMILES:	CNC(=O)c1ccc(c2cn(Cc3ccccc3)c3ncccc32)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C22H18N4O3/c1-23-22(27)16-9-10-17(20(12-16)26(28)29)19-14-25(13-15-6-3-2-4-7-15)21-18(19)8-5-11-24-21/h2-12,14H,13H2,1H3,(H,23,27)
Definition date:	2023-06-08
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-nitrobenzamide

Y23

Y23
Name:	4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile
Formula:	C25 H22 Cl N5 O
SMILES:	N#Cc1ccc(cc1)Cn1c2ccc(Cl)cc2c2CCN(Cc12)C(=O)CCc1cnc[NH]1
InChi:	InChI=1S/C25H22ClN5O/c26-19-5-7-23-22(11-19)21-9-10-30(25(32)8-6-20-13-28-16-29-20)15-24(21)31(23)14-18-3-1-17(12-27)2-4-18/h1-5,7,11,13,16H,6,8-10,14-15H2,(H,28,29)
Definition date:	2023-06-09
Last modified:	2024-12-13
Release date:	2024-12-18
Identifier:	4-({6-chloro-2-[3-(1H-imidazol-5-yl)propanoyl]-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-9-yl}methyl)benzonitrile

YOE

YOE
Name:	nalterxone
Formula:	C20 H23 N O4
SMILES:	O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC1CC1)c54
InChi:	InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20+/m0/s1
Definition date:	2023-12-07
Last modified:	2024-12-06
Release date:	2024-12-11
Identifier:	17-(cyclopropylmethyl)-3,14-dihydroxy-5beta,9alpha,13alpha-4,5-epoxymorphinan-6-one

A1H0A

A1H0A
Name:	4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide
Formula:	C9 H20 B N2 O5
SMILES:	N[CH]1CN[C](CCCC[B-](O)(O)O)(C1)C(O)=O
InChi:	InChI=1S/C9H20BN2O5/c11-7-5-9(8(13)14,12-6-7)3-1-2-4-10(15,16)17/h7,12,15-17H,1-6,11H2,(H,13,14)/q-1/t7-,9-/m1/s1
Definition date:	2023-12-14
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	4-[(2~{R},4~{R})-4-azanyl-2-carboxy-pyrrolidin-2-yl]butyl-tris(oxidanyl)boranuide

A1H0B

A1H0B
Name:	(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid
Formula:	C8 H16 B N O4
SMILES:	OB(O)CCC[CH]1CCN[CH]1C(O)=O
InChi:	InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1
Definition date:	2023-12-14
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid

A1H8P

A1H8P
Name:	7-bromanyl-3~{H}-imidazo[4,5-b]pyridine
Formula:	C6 H4 Br N3
SMILES:	Brc1ccnc2[nH]cnc12
InChi:	InChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
Definition date:	2024-04-18
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	7-bromanyl-3~{H}-imidazo[4,5-b]pyridine

A1IED

A1IED
Name:	6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide
Formula:	C22 H21 N5 O4
SMILES:	NC(=O)c1cccc(n1)c2cc(on2)c3cc4cc[nH]c4nc3O[CH]5CC[CH](O)CC5
InChi:	InChI=1S/C22H21N5O4/c23-20(29)17-3-1-2-16(25-17)18-11-19(31-27-18)15-10-12-8-9-24-21(12)26-22(15)30-14-6-4-13(28)5-7-14/h1-3,8-11,13-14,28H,4-7H2,(H2,23,29)(H,24,26)
Definition date:	2024-06-13
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	6-[5-[6-(4-oxidanylcyclohexyl)oxy-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-1,2-oxazol-3-yl]pyridine-2-carboxamide

A1ACV

A1ACV
Name:	(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine
Formula:	C25 H27 N9
SMILES:	Cn1nc(nn1)c1cc2[NH]c3nc(Cc4ccccc4)nc(NC4CCC(N)CC4)c3c2cc1
InChi:	InChI=1S/C25H27N9/c1-34-32-23(31-33-34)16-7-12-19-20(14-16)28-25-22(19)24(27-18-10-8-17(26)9-11-18)29-21(30-25)13-15-5-3-2-4-6-15/h2-7,12,14,17-18H,8-11,13,26H2,1H3,(H2,27,28,29,30)/t17-,18-
Definition date:	2024-01-16
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	(1r,4r)-N~1~-[(7P)-2-benzyl-7-(2-methyl-2H-tetrazol-5-yl)-9H-pyrimido[4,5-b]indol-4-yl]cyclohexane-1,4-diamine

X7T

X7T
Name:	1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one
Formula:	C24 H29 F2 N5 O3
SMILES:	Fc1ccc(OC2CCN(CC2)c2nc3CCN(Cc3nc2NC2CCOC2)C(C)=O)c(F)c1
InChi:	InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m1/s1
Definition date:	2023-06-05
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3R)-oxolan-3-yl]amino}-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl}ethan-1-one

XY8

XY8
Name:	3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
Formula:	C22 H26 F2 N6
SMILES:	CC(C)Nc1nc2cc(C)ncc2nc1N1CCN(Cc2ccc(F)cc2F)CC1
InChi:	InChI=1S/C22H26F2N6/c1-14(2)26-21-22(28-20-12-25-15(3)10-19(20)27-21)30-8-6-29(7-9-30)13-16-4-5-17(23)11-18(16)24/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,26,27)
Definition date:	2023-06-05
Last modified:	2024-11-29
Release date:	2024-12-04
Identifier:	3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine

A1HZ9

A1HZ9
Name:	[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron
Formula:	C7 H18 B N2 O5
SMILES:	NC[CH](CCC[B](O)(O)O)[CH](N)C(O)=O
InChi:	InChI=1S/C7H18BN2O5/c9-4-5(6(10)7(11)12)2-1-3-8(13,14)15/h5-6,13-15H,1-4,9-10H2,(H,11,12)/t5-,6+/m1/s1
Definition date:	2023-12-14
Last modified:	2024-11-27
Release date:	2024-11-27
Identifier:	[(4~{R},5~{S})-4-(aminomethyl)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]-tris(oxidanyl)boron

A1IME

A1IME
Name:	(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid
Formula:	C12 H13 N3 O3 S
SMILES:	Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O
InChi:	InChI=1S/C12H13N3O3S/c1-6-2-3-14-8-4-9(19-10(6)8)11(16)15-5-7(13)12(17)18/h2-4,7H,5,13H2,1H3,(H,15,16)(H,17,18)/t7-/m1/s1
Definition date:	2024-08-21
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid

W2Z

W2Z
Name:	(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol
Formula:	C21 H27 N3 O3 S
SMILES:	CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1
InChi:	InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1
Definition date:	2023-09-22
Last modified:	2024-11-22
Release date:	2024-11-27
Identifier:	(1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol

GR2

GR2
Name:	(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Formula:	C17 H14 O5
SMILES:	c12CC3C(c1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4
InChi:	InChI=1S/C17H14O5/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/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1
Definition date:	2015-09-02
Last modified:	2024-11-19
Release date:	2015-10-28
Identifier:	(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one

A1AFE

A1AFE
Name:	11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione
Formula:	C27 H23 N3 O3 S
SMILES:	O=C(c1cncc2cc[NH]c21)N1CC/C(CC1)=C1/c2ccccc2S(=O)(=O)Cc2ccccc12
InChi:	InChI=1S/C27H23N3O3S/c31-27(23-16-28-15-19-9-12-29-26(19)23)30-13-10-18(11-14-30)25-21-6-2-1-5-20(21)17-34(32,33)24-8-4-3-7-22(24)25/h1-9,12,15-16,29H,10-11,13-14,17H2
Synonyms:	NZ-804
Definition date:	2024-02-23
Last modified:	2024-11-15
Release date:	2024-11-20
Identifier:	11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione

XPU

XPU
Name:	2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide
Formula:	C13 H20 B N O4 S
SMILES:	CC1(C)OB(OC1(C)C)c1ccc(c(C)c1)S(N)(=O)=O
InChi:	InChI=1S/C13H20BNO4S/c1-9-8-10(6-7-11(9)20(15,16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H2,15,16,17)
Definition date:	2023-11-07
Last modified:	2024-11-15
Release date:	2024-11-20
Identifier:	2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonamide

XQN

XQN
Name:	4-chloranyl-N-[[(3S)-1-oxidanyl-3H-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide
Formula:	C14 H13 B Cl N O4 S
SMILES:	O[B-]1O[CH](CN[S](=O)(=O)c2ccc(Cl)cc2)c3ccccc13
InChi:	InChI=1S/C14H14BClNO4S/c16-10-5-7-11(8-6-10)22(19,20)17-9-14-12-3-1-2-4-13(12)15(18)21-14/h1-8,14-15,17-18H,9H2/q-1/t14-,15-/m1/s1
Definition date:	2023-11-08
Last modified:	2024-11-15
Release date:	2024-11-20
Identifier:	4-chloranyl-~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]benzenesulfonamide

XR3

XR3
Name:	N-[[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide
Formula:	C14 H13 B N2 O6 S
SMILES:	O[B-]1O[CH](CN[S](=O)(=O)c2ccc(cc2)[N+]([O-])=O)c3ccccc13
InChi:	InChI=1S/C14H14BN2O6S/c18-15-13-4-2-1-3-12(13)14(23-15)9-16-24(21,22)11-7-5-10(6-8-11)17(19)20/h1-8,14-16,18H,9H2/q-1/t14-,15-/m1/s1
Definition date:	2023-11-08
Last modified:	2024-11-15
Release date:	2024-11-20
Identifier:	~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]benzenesulfonamide

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238582

數據於2025-07-09公開中

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