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Y4F

Y4F
Name:	Cyclic (adenosine-(2'-5')-monophosphate-adenosine-(3'-5')-monophosphate
Formula:	C20 H24 N10 O12 P2
SMILES:	Nc1ncnc2c1ncn2C1OC2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O)n1cnc2c(N)ncnc21
InChi:	InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(32)13-8(40-19)2-38-44(35,36)42-14-11(31)7(1-37-43(33,34)41-13)39-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Definition date:	2023-01-04
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7,14-bis(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione

NXO

NXO
Name:	8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
Formula:	C19 H14 F N O3 S
SMILES:	Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34
InChi:	InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2
Definition date:	2023-01-19
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide

WKF

WKF
Name:	4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide
Formula:	C35 H39 N7 O3 S
SMILES:	O=C1N[CH]2CS[CH](CCCCNC3CCC(CC3)(C(=O)Nc4cccc5cccnc45)C(=O)Nc6cccc7cccnc67)[CH]2N1
InChi:	InChI=1S/C35H39N7O3S/c43-32(39-25-11-3-7-22-9-5-19-37-29(22)25)35(33(44)40-26-12-4-8-23-10-6-20-38-30(23)26)16-14-24(15-17-35)36-18-2-1-13-28-31-27(21-46-28)41-34(45)42-31/h3-12,19-20,24,27-28,31,36H,1-2,13-18,21H2,(H,39,43)(H,40,44)(H2,41,42,45)/t27-,28-,31-/m0/s1
Definition date:	2023-10-06
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	4-[4-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butylamino]-~{N}1,~{N}1'-di(quinolin-8-yl)cyclohexane-1,1-dicarboxamide

OXF

OXF
Name:	2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol
Formula:	C21 H28 N2 O3
SMILES:	OCCOCCN1CCN(CC1)Cc2cccc(Oc3ccccc3)c2
InChi:	InChI=1S/C21H28N2O3/c24-14-16-25-15-13-22-9-11-23(12-10-22)18-19-5-4-8-21(17-19)26-20-6-2-1-3-7-20/h1-8,17,24H,9-16,18H2
Synonyms:	ZK-756326
Definition date:	2023-08-24
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	2-[2-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethoxy]ethanol

OL6

OL6
Name:	(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
Formula:	C20 H22 N2 O6 S
SMILES:	CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O
InChi:	InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1
Definition date:	2023-02-07
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid

VIU

VIU
Name:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine
Formula:	C23 H29 N3 S
SMILES:	CCc1cc(cc2[SH]=C3C=C(C=C(C)C3=Nc12)N4CCCC4)N5CCCC5
InChi:	InChI=1S/C23H29N3S/c1-3-17-13-19(26-10-6-7-11-26)15-21-23(17)24-22-16(2)12-18(14-20(22)27-21)25-8-4-5-9-25/h12-15,27H,3-11H2,1-2H3
Definition date:	2023-03-08
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine

VJX

VJX
Name:	Rebamipide
Formula:	C19 H15 Cl N2 O4
SMILES:	Clc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O
InChi:	InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
Synonyms:	N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine
Definition date:	2023-09-13
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine

QCX

QCX
Name:	(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol
Formula:	C25 H37 N7 O3
SMILES:	CCCC(CCO)Nc1nc(N)nc2cnn(Cc3ccc(CNC4CCOCC4)cc3OC)c12
InChi:	InChI=1S/C25H37N7O3/c1-3-4-20(7-10-33)29-24-23-21(30-25(26)31-24)15-28-32(23)16-18-6-5-17(13-22(18)34-2)14-27-19-8-11-35-12-9-19/h5-6,13,15,19-20,27,33H,3-4,7-12,14,16H2,1-2H3,(H3,26,29,30,31)/t20-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	(3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol

QEC

QEC
Name:	N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
Formula:	C22 H31 N7 O
SMILES:	COc1cc(CNC2CCC2)ccc1Cn1cc2nc(N)nc(NCCCC)c2n1
InChi:	InChI=1S/C22H31N7O/c1-3-4-10-24-21-20-18(26-22(23)27-21)14-29(28-20)13-16-9-8-15(11-19(16)30-2)12-25-17-6-5-7-17/h8-9,11,14,17,25H,3-7,10,12-13H2,1-2H3,(H3,23,24,26,27)
Definition date:	2023-08-18
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	N~7~-butyl-2-({4-[(cyclobutylamino)methyl]-2-methoxyphenyl}methyl)-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

OS9

OS9
Name:	8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
Formula:	C29 H33 N3 O3
SMILES:	COc1ccccc1Oc2cccc(CN3CCC4(CC3)N(CCc5ccccc5)CNC4=O)c2
InChi:	InChI=1S/C29H33N3O3/c1-34-26-12-5-6-13-27(26)35-25-11-7-10-24(20-25)21-31-18-15-29(16-19-31)28(33)30-22-32(29)17-14-23-8-3-2-4-9-23/h2-13,20H,14-19,21-22H2,1H3,(H,30,33)
Synonyms:	LMD-009
Definition date:	2023-08-24
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one

U2H

U2H
Name:	~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine
Formula:	C20 H24 N2 O
SMILES:	CCCN(C)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChi:	InChI=1S/C20H24N2O/c1-3-11-22(2)14-17-13-21-20-10-9-18(12-19(17)20)23-15-16-7-5-4-6-8-16/h4-10,12-13,21H,3,11,14-15H2,1-2H3
Definition date:	2023-05-11
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	~{N}-methyl-~{N}-[(5-phenylmethoxy-1~{H}-indol-3-yl)methyl]propan-1-amine

7MO

7MO
Name:	5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine
Formula:	C13 H22 N7 O6 P
SMILES:	NP(=O)(OCCCN)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H22N7O6P/c14-2-1-3-24-27(16,23)25-4-7-9(21)10(22)13(26-7)20-6-19-8-11(15)17-5-18-12(8)20/h5-7,9-10,13,21-22H,1-4,14H2,(H2,16,23)(H2,15,17,18)/t7-,9-,10-,13-,27-/m1/s1
Definition date:	2023-02-15
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	5'-O-[(R)-amino(3-aminopropoxy)phosphoryl]adenosine

7QJ

7QJ
Name:	3-[4-[2,3-dihydro-1H-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid
Formula:	C18 H18 F3 N3 O3
SMILES:	CN(c1cc(nc(OCCC(O)=O)n1)C(F)(F)F)c2cccc3CCCc23
InChi:	InChI=1S/C18H18F3N3O3/c1-24(13-7-3-5-11-4-2-6-12(11)13)15-10-14(18(19,20)21)22-17(23-15)27-9-8-16(25)26/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,25,26)
Definition date:	2023-07-12
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	3-[4-[2,3-dihydro-1~{H}-inden-4-yl(methyl)amino]-6-(trifluoromethyl)pyrimidin-2-yl]oxypropanoic acid

IX4

IX4
Name:	~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
Formula:	C12 H14 N6 O
SMILES:	CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1
InChi:	InChI=1S/C12H14N6O/c1-12(17-18-12)5-4-10(19)14-7-9-15-8-3-2-6-13-11(8)16-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,13,15,16)
Definition date:	2023-08-03
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide

JIE

JIE
Name:	[(2R,3S,4R,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(2S)-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C17 H26 N6 O7 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)nccc23
InChi:	InChI=1S/C17H26N6O7S/c1-8(2)5-9(18)16(26)22-31(27,28)29-6-11-13(24)14(25)17(30-11)23-7-21-12-10(23)3-4-20-15(12)19/h3-4,7-9,11,13-14,17,24-25H,5-6,18H2,1-2H3,(H2,19,20)(H,22,26)/t9-,11+,13+,14+,17+/m0/s1
Definition date:	2022-08-17
Last modified:	2024-02-02
Release date:	2024-02-07
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

WO0

WO0
Name:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid
Formula:	C17 H30 O3
SMILES:	O=C(O)CC1(O)CC2C(CC1C)C(C)(C)CCC2(C)C
InChi:	InChI=1S/C17H30O3/c1-11-8-12-13(9-17(11,20)10-14(18)19)16(4,5)7-6-15(12,2)3/h11-13,20H,6-10H2,1-5H3,(H,18,19)/t11-,12+,13+,17-/m0/s1
Definition date:	2023-05-15
Last modified:	2024-01-31
Release date:	2023-06-14
Identifier:	[(2S,3S,4aR,8aR)-2-hydroxy-3,5,5,8,8-pentamethyldecahydronaphthalen-2-yl]acetic acid

YXJ

YXJ
Name:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide
Formula:	C21 H28 N6 O
SMILES:	NC(=O)c1ncc(nc1Nc1ccc(cc1)C1CCNCC1)N1CCCCC1
InChi:	InChI=1S/C21H28N6O/c22-20(28)19-21(26-18(14-24-19)27-12-2-1-3-13-27)25-17-6-4-15(5-7-17)16-8-10-23-11-9-16/h4-7,14,16,23H,1-3,8-13H2,(H2,22,28)(H,25,26)
Definition date:	2023-03-03
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	5-(piperidin-1-yl)-3-[4-(piperidin-4-yl)anilino]pyrazine-2-carboxamide

ZLO

ZLO
Name:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
Formula:	C5 H7 N3 O S2
SMILES:	CSc1nsc(NC(C)=O)n1
InChi:	InChI=1S/C5H7N3OS2/c1-3(9)6-4-7-5(10-2)8-11-4/h1-2H3,(H,6,7,8,9)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide

ZLT

ZLT
Name:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
Formula:	C10 H12 N2 O3 S
SMILES:	O=C(NC(=S)N1CCOCC1)c2occc2
InChi:	InChI=1S/C10H12N2O3S/c13-9(8-2-1-5-15-8)11-10(16)12-3-6-14-7-4-12/h1-2,5H,3-4,6-7H2,(H,11,13,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide

ZLX

ZLX
Name:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
Formula:	C11 H13 N O5
SMILES:	COC(=O)[CH]1C[CH](O)CN1C(=O)c2occc2
InChi:	InChI=1S/C11H13NO5/c1-16-11(15)8-5-7(13)6-12(8)10(14)9-3-2-4-17-9/h2-4,7-8,13H,5-6H2,1H3/t7-,8-/m0/s1
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate

ZM8

ZM8
Name:	1-[4-(cyclopropylamino)piperidin-1-yl]ethanone
Formula:	C10 H18 N2 O
SMILES:	CC(=O)N1CCC(CC1)NC2CC2
InChi:	InChI=1S/C10H18N2O/c1-8(13)12-6-4-10(5-7-12)11-9-2-3-9/h9-11H,2-7H2,1H3
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	1-[4-(cyclopropylamino)piperidin-1-yl]ethanone

ZMC

ZMC
Name:	~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine
Formula:	C14 H14 N2 O2
SMILES:	C1Oc2ccc(CNCc3ccncc3)cc2O1
InChi:	InChI=1S/C14H14N2O2/c1-2-13-14(18-10-17-13)7-12(1)9-16-8-11-3-5-15-6-4-11/h1-7,16H,8-10H2
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine

ZMI

ZMI
Name:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
Formula:	C11 H10 F N3 O2
SMILES:	Cc1onc(c1)C(=O)NNc2ccccc2F
InChi:	InChI=1S/C11H10FN3O2/c1-7-6-10(15-17-7)11(16)14-13-9-5-3-2-4-8(9)12/h2-6,13H,1H3,(H,14,16)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide

ZMT

ZMT
Name:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
Formula:	C9 H11 N5 O S
SMILES:	CCCn1nnnc1NC(=O)c2sccc2
InChi:	InChI=1S/C9H11N5OS/c1-2-5-14-9(11-12-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,11,13,15)
Definition date:	2023-06-28
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide

UJX

UJX
Name:	ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate
Formula:	C19 H18 N2 O5
SMILES:	CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3
InChi:	InChI=1S/C19H18N2O5/c1-3-25-19(24)17-16(12-5-4-8-20-10-12)14-7-6-13(23)9-15(14)26-18(17)21-11(2)22/h4-10,16,23H,3H2,1-2H3,(H,21,22)/t16-/m0/s1
Synonyms:	ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate
Definition date:	2023-02-06
Last modified:	2024-01-26
Release date:	2024-01-31
Identifier:	ethyl (4~{S})-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4~{H}-chromene-3-carboxylate

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