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ZJT

ZJT
Name:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
Formula:	C13 H9 F O2 S
SMILES:	O=C(O)c1cc2CCc3cc(F)ccc3c2s1
InChi:	InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16)
Definition date:	2023-06-27
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid

W53

W53
Name:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide
Formula:	C23 H26 N8 O
SMILES:	NCCCNC(=O)C(Cc1ccc2ccc(N)nc2n1)Cc3ccc4ccc(N)nc4n3
InChi:	InChI=1S/C23H26N8O/c24-10-1-11-27-23(32)16(12-17-6-2-14-4-8-19(25)30-21(14)28-17)13-18-7-3-15-5-9-20(26)31-22(15)29-18/h2-9,16H,1,10-13,24H2,(H,27,32)(H2,25,28,30)(H2,26,29,31)
Definition date:	2023-09-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	3-(7-azanyl-1,8-naphthyridin-2-yl)-2-[(7-azanyl-1,8-naphthyridin-2-yl)methyl]-~{N}-(3-azanylpropyl)propanamide

XSL

XSL
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H15 F3 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2F
InChi:	InChI=1S/C16H15F3NO5P/c17-12-6-2-1-5-11(12)16(18,19)10-20-15(21)9-25-13-7-3-4-8-14(13)26(22,23)24/h1-8H,9-10H2,(H,20,21)(H2,22,23,24)
Definition date:	2023-01-30
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-(2-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Y6E

Y6E
Name:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile
Formula:	C25 H23 F N4 O3 S
SMILES:	O=S(C)(=O)N1CCN(CC1)C(=O)c1cnc2ccc(F)cc2c1c1ccc(cc1)C1(C#N)CC1
InChi:	InChI=1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
Definition date:	2023-06-12
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-(4-{6-fluoro-3-[4-(methanesulfonyl)piperazine-1-carbonyl]quinolin-4-yl}phenyl)cyclopropane-1-carbonitrile

UKX

UKX
Name:	(2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide
Formula:	C8 H14 N2 O2
SMILES:	CC[CH](N1CCCC1=O)C(N)=O
InChi:	InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
Synonyms:	levetiracetam
Definition date:	2023-06-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide

WOQ

WOQ
Name:	Setiptiline
Formula:	C19 H19 N
SMILES:	CN1CC2=C(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C19H19N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9H,10-13H2,1H3
Synonyms:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine
Definition date:	2023-10-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[4a(13b)M,13aM]-2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine

VHL

VHL
Name:	Tricarbonyl di(imidazole) rhenium(I)
Formula:	C9 H6 N4 O3 Re
SMILES:	[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re+](n1ccnc1)n2ccnc2
InChi:	InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1
Synonyms:	di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)
Definition date:	2023-09-12
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	di(imidazol-1-yl)-tris(oxidaniumylidynemethyl)rhenium(1+)

WRU

WRU
Name:	Mianserin
Formula:	C18 H20 N2
SMILES:	CN1CC2N(CC1)c1ccccc1Cc1ccccc21
InChi:	InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
Definition date:	2023-10-10
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(5S,14bS)-2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine

Y0B

Y0B
Name:	2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
Formula:	C18 H21 N3 O2
SMILES:	COc1cccc(CNc2nc3ccccc3n2CCC)c1O
InChi:	InChI=1S/C18H21N3O2/c1-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(23-2)17(13)22/h4-10,22H,3,11-12H2,1-2H3,(H,19,20)
Definition date:	2023-06-09
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol

X8L

X8L
Name:	L-gulono-1,4-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3+,4-,5+/m0/s1
Synonyms:	(3S,4R,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
Definition date:	2023-10-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(3~{S},4~{R},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

X8X

X8X
Name:	L-galactono-1,4-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH](O)[CH]1OC(=O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2/t2-,3-,4-,5+/m0/s1
Synonyms:	(3S,4S,5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one
Definition date:	2023-10-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(3~{S},4~{S},5~{R})-5-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-one

U0U

U0U
Name:	[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
Formula:	C16 H16 F2 N O5 P
SMILES:	O[P](O)(=O)c1ccccc1OCC(=O)NCC(F)(F)c2ccccc2
InChi:	InChI=1S/C16H16F2NO5P/c17-16(18,12-6-2-1-3-7-12)11-19-15(20)10-24-13-8-4-5-9-14(13)25(21,22)23/h1-9H,10-11H2,(H,19,20)(H2,21,22,23)
Definition date:	2023-01-18
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	[2-[2-[[2,2-bis(fluoranyl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

VZW

VZW
Name:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid
Formula:	C24 H23 F N4 O6 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5
InChi:	InChI=1S/C24H23FN4O6S/c25-19-11-17-20(29(15-3-4-15)13-18(22(17)30)24(32)33)12-21(19)27-7-9-28(10-8-27)23(31)14-1-5-16(6-2-14)36(26,34)35/h1-2,5-6,11-13,15H,3-4,7-10H2,(H,32,33)(H2,26,34,35)
Definition date:	2023-04-21
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-sulfamoylphenyl)carbonylpiperazin-1-yl]quinoline-3-carboxylic acid

WUX

WUX
Name:	2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid
Formula:	C33 H54 O6
SMILES:	C[CH]1[CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O)C[CH]4[CH]([CH](C[C]34C)OC(C)=O)[CH](CCCC5CCCC5)C(O)=O
InChi:	InChI=1S/C33H54O6/c1-19-23-13-16-32(4)29(31(23,3)15-14-25(19)35)26(36)17-24-28(27(39-20(2)34)18-33(24,32)5)22(30(37)38)12-8-11-21-9-6-7-10-21/h19,21-29,35-36H,6-18H2,1-5H3,(H,37,38)/t19-,22-,23-,24-,25+,26+,27-,28-,29-,31-,32-,33-/m0/s1
Definition date:	2023-05-22
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	2-[(3~{R},4~{S},5~{S},8~{S},9~{S},10~{S},11~{R},13~{S},14~{S},16~{S})-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-1,2,3,4,5,6,7,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5-cyclopentyl-pentanoic acid

U5U

U5U
Name:	~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine
Formula:	C15 H15 N4 Pd S
SMILES:	CN(C)C(=NN=C(c1ccccc1)c2ccccn2)S[Pd]
InChi:	InChI=1S/C15H16N4S.Pd/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13
Definition date:	2023-05-17
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	~{N},~{N}-dimethyl-7-phenyl-3-thia-1$l^{4},5,6$l^{4}-triaza-2$l^{3}-palladatricyclo[6.4.0.0^{2,6}]dodeca-1(12),4,6,8,10-pentaen-4-amine

UAC

UAC
Name:	(2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide
Formula:	C45 H65 Cl N8 O6
SMILES:	C[CH](N(C)C(=O)[CH](C)N(Cc1c[nH]c2cc(Cl)ccc12)C(=O)[CH](C)N(C)C(=O)[CH](C)N(Cc3ccccc3)C(C)=O)C(=O)N(CCC(C)(C)C)[CH](C)C(=O)N4CCNCC4
InChi:	InChI=1S/C45H65ClN8O6/c1-29(43(59)52(22-19-45(7,8)9)33(5)42(58)51-23-20-47-21-24-51)49(10)41(57)32(4)54(28-36-26-48-39-25-37(46)17-18-38(36)39)44(60)30(2)50(11)40(56)31(3)53(34(6)55)27-35-15-13-12-14-16-35/h12-18,25-26,29-33,47-48H,19-24,27-28H2,1-11H3/t29-,30-,31-,32-,33-/m0/s1
Definition date:	2023-05-25
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	(2~{S})-2-[[(2~{S})-2-[(6-chloranyl-1~{H}-indol-3-yl)methyl-[(2~{S})-2-[[(2~{S})-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-~{N}-(3,3-dimethylbutyl)-~{N}-[(2~{S})-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide

25I

25I
Name:	Fluzoparib
Formula:	C22 H16 F4 N6 O2
SMILES:	Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCn5nc(nc5C4)C(F)(F)F
InChi:	InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
Synonyms:	SHR3162
Definition date:	2022-12-06
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	4-[[4-fluoranyl-3-[[2-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one

7TN

7TN
Name:	Iguratimod
Formula:	C17 H14 N2 O6 S
SMILES:	CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1
InChi:	InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
Synonyms:	T 614
Definition date:	2021-08-20
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	N-{7-[(methanesulfonyl)amino]-4-oxo-6-phenoxy-4H-1-benzopyran-3-yl}formamide

9M5

9M5
Name:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide
Formula:	C27 H33 N5 O2
SMILES:	CC(C)(C)c1ccc(cc1)N([CH](C(=O)NC2CCCCC2)c3cccnc3)C(=O)c4c[nH]cn4
InChi:	InChI=1S/C27H33N5O2/c1-27(2,3)20-11-13-22(14-12-20)32(26(34)23-17-29-18-30-23)24(19-8-7-15-28-16-19)25(33)31-21-9-5-4-6-10-21/h7-8,11-18,21,24H,4-6,9-10H2,1-3H3,(H,29,30)(H,31,33)/t24-/m0/s1
Definition date:	2021-11-19
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{S})-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-1~{H}-imidazole-4-carboxamide

A1AAB

A1AAB
Name:	N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea
Formula:	C19 H17 F3 N8 O2 S
SMILES:	FC(F)(F)c1cc(cnc1n1nccn1)NC(=O)Nc1cnc2sc(C)nc2c1C(C)OC
InChi:	InChI=1S/C19H17F3N8O2S/c1-9(32-3)14-13(8-24-17-15(14)27-10(2)33-17)29-18(31)28-11-6-12(19(20,21)22)16(23-7-11)30-25-4-5-26-30/h4-9H,1-3H3,(H2,28,29,31)
Definition date:	2023-12-12
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea

A1AFO

A1AFO
Name:	7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide
Formula:	C16 H17 N3 O4
SMILES:	NC(=O)c1cc2ccnc(OCC3CCC(=O)N3)c2cc1OC
InChi:	InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1
Definition date:	2024-02-23
Last modified:	2024-04-26
Release date:	2024-05-01
Identifier:	7-methoxy-1-{[(2S)-5-oxopyrrolidin-2-yl]methoxy}isoquinoline-6-carboxamide

8QJ

8QJ
Name:	(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium
Formula:	C9 H16 N3 O3 S
SMILES:	OSc1nc(CC(C(=O)O)[N+](C)(C)C)c[NH]1
InChi:	InChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2017-03-01
Last modified:	2024-04-25
Release date:	2018-03-07
Identifier:	(1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium

DE4

DE4
Name:	(4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol
Formula:	C18 H21 N3 O3
SMILES:	[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccccc2)C1
InChi:	InChI=1S/C18H21N3O3/c22-13-15-6-7-16(10-18(15)21(23)24)19-17-8-9-20(12-17)11-14-4-2-1-3-5-14/h1-7,10,17,19,22H,8-9,11-13H2/t17-/m1/s1
Definition date:	2017-10-24
Last modified:	2024-04-25
Release date:	2018-10-03
Identifier:	(4-{[(3R)-1-benzylpyrrolidin-3-yl]amino}-2-nitrophenyl)methanol

DF7

DF7
Name:	[4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol
Formula:	C20 H22 N4 O3
SMILES:	[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2c[NH]c3ccccc23)C1
InChi:	InChI=1S/C20H22N4O3/c25-13-14-5-6-16(9-20(14)24(26)27)22-17-7-8-23(12-17)11-15-10-21-19-4-2-1-3-18(15)19/h1-6,9-10,17,21-22,25H,7-8,11-13H2/t17-/m1/s1
Definition date:	2017-10-25
Last modified:	2024-04-25
Release date:	2018-10-03
Identifier:	[4-({(3R)-1-[(1H-indol-3-yl)methyl]pyrrolidin-3-yl}amino)-2-nitrophenyl]methanol

DJ4

DJ4
Name:	(2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol
Formula:	C19 H20 F3 N3 O3
SMILES:	[O-][N+](=O)c1cc(ccc1CO)NC1CCN(Cc2ccc(cc2)C(F)(F)F)C1
InChi:	InChI=1S/C19H20F3N3O3/c20-19(21,22)15-4-1-13(2-5-15)10-24-8-7-17(11-24)23-16-6-3-14(12-26)18(9-16)25(27)28/h1-6,9,17,23,26H,7-8,10-12H2/t17-/m0/s1
Definition date:	2017-10-25
Last modified:	2024-04-25
Release date:	2018-10-03
Identifier:	(2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol

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