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N0I

N0I
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide
Formula:	C18 H22 Cl N5 O3 S
SMILES:	O=C(Cc1ccc(cc1)N(C)S(C)(=O)=O)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H22ClN5O3S/c1-22(28(2,26)27)15-5-3-14(4-6-15)13-18(25)24-11-9-23(10-12-24)17-8-7-16(19)20-21-17/h3-8H,9-13H2,1-2H3
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-N-methylmethanesulfonamide

N0R

N0R
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide
Formula:	C18 H20 Cl N5 O3
SMILES:	O=C(Cc1ccc(NC(=O)CO)cc1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H20ClN5O3/c19-15-5-6-16(22-21-15)23-7-9-24(10-8-23)18(27)11-13-1-3-14(4-2-13)20-17(26)12-25/h1-6,25H,7-12H2,(H,20,26)
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)-2-hydroxyacetamide

N1F

N1F
Name:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide
Formula:	C18 H20 Cl N5 O2
SMILES:	O=C(Cc1ccc(NC(C)=O)cc1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C18H20ClN5O2/c1-13(25)20-15-4-2-14(3-5-15)12-18(26)24-10-8-23(9-11-24)17-7-6-16(19)21-22-17/h2-7H,8-12H2,1H3,(H,20,25)
Definition date:	2022-03-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide

ND6

ND6
Name:	6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Formula:	C20 H23 N5 O2
SMILES:	O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H23N5O2/c1-15(14-26)17-4-2-16(3-5-17)12-20(27)25-10-8-24(9-11-25)19-7-6-18(13-21)22-23-19/h2-7,15,26H,8-12,14H2,1H3/t15-/m0/s1
Definition date:	2022-03-31
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile

NE3

NE3
Name:	6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Formula:	C20 H20 F N5 O
SMILES:	O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H20FN5O/c21-18-11-14(1-5-17(18)15-2-3-15)12-20(27)26-9-7-25(8-10-26)19-6-4-16(13-22)23-24-19/h1,4-6,11,15H,2-3,7-10,12H2
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

O6F

O6F
Name:	N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
Formula:	C26 H33 N3 O3 S
SMILES:	CCN(C(=O)c1nc(c2sccc2)c3n1CCc4cc(OC)c(OC(C)C)cc34)C(C)(C)C
InChi:	InChI=1S/C26H33N3O3S/c1-8-29(26(4,5)6)25(30)24-27-22(21-10-9-13-33-21)23-18-15-20(32-16(2)3)19(31-7)14-17(18)11-12-28(23)24/h9-10,13-16H,8,11-12H2,1-7H3
Definition date:	2023-01-25
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-~{tert}-butyl-~{N}-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide

O93

O93
Name:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C12 H27 B N2 O5
SMILES:	CN(C)C[CH]1CC[CH](CC[B](O)(O)[OH2+])C[C]1(N)C(O)=O
InChi:	InChI=1S/C12H27BN2O5/c1-15(2)8-10-4-3-9(5-6-13(18,19)20)7-12(10,14)11(16)17/h9-10,18-19H,3-8,14,20H2,1-2H3,(H,16,17)/q+1/t9-,10-,12+/m0/s1
Definition date:	2022-08-30
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[(1~{R},3~{R},4~{S})-3-azanyl-3-carboxy-4-[(dimethylamino)methyl]cyclohexyl]ethyl-oxidaniumyl-bis(oxidanyl)boron

OJI

OJI
Name:	(2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Formula:	C10 H13 N5 O4
SMILES:	Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
Definition date:	2023-02-07
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

OQ3

OQ3
Name:	3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 Br N O2 S
SMILES:	CN(CCS)C(=O)c1cc(Br)cc(C=O)c1
InChi:	InChI=1S/C11H12BrNO2S/c1-13(2-3-16)11(15)9-4-8(7-14)5-10(12)6-9/h4-7,16H,2-3H2,1H3
Definition date:	2022-09-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-bromanyl-5-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

OQ9

OQ9
Name:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H13 N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)cc1
InChi:	InChI=1S/C11H13NO2S/c1-12(6-7-15)11(14)10-4-2-9(8-13)3-5-10/h2-5,8,15H,6-7H2,1H3
Definition date:	2022-09-16
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

OYI

OYI
Name:	3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 F N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)c(F)c1
InChi:	InChI=1S/C11H12FNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3
Definition date:	2022-09-28
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-fluoranyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

P2V

P2V
Name:	~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula:	C26 H30 N6 S
SMILES:	CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12
InChi:	InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30)
Definition date:	2022-09-29
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

P5L

P5L
Name:	(1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid
Formula:	C37 H60 N4 O14
SMILES:	O=C1C=CN(C(=O)N1)C1OC(C2OC3OC(CNC4CN(CC(O)C4OC(=O)CCCCCCCCCCCCCCC)C2C(=O)O)C(O)C3O)C(O)C1O
InChi:	InChI=1S/C37H60N4O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(44)53-31-21-19-40(20-22(31)42)26(35(49)50)32(55-36-30(48)27(45)23(52-36)18-38-21)33-28(46)29(47)34(54-33)41-17-16-24(43)39-37(41)51/h16-17,21-23,26-34,36,38,42,45-48H,2-15,18-20H2,1H3,(H,49,50)(H,39,43,51)/t21-,22-,23+,26-,27+,28-,29+,30+,31+,32-,33-,34+,36-/m0/s1
Synonyms:	sphaerimicin analogue
Definition date:	2022-05-25
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(1S,4R,5S,6R,7S,9S,10S,11S,13S,14R)-9-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]-14-(hexadecanoyloxy)-5,6,13-trihydroxy-8,16-dioxa-2,11-diazatricyclo[9.3.1.1~4,7~]hexadecane-10-carboxylic acid

PJU

PJU
Name:	[(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
Formula:	C22 H25 Cl F2 N6 O3
SMILES:	Nc1nc(Cl)cc(n1)c2nn(cc2Cc3ccccc3OCCN4CCOC[CH]4CO)C(F)F
InChi:	InChI=1S/C22H25ClF2N6O3/c23-19-10-17(27-22(26)28-19)20-15(11-31(29-20)21(24)25)9-14-3-1-2-4-18(14)34-8-6-30-5-7-33-13-16(30)12-32/h1-4,10-11,16,21,32H,5-9,12-13H2,(H2,26,27,28)/t16-/m1/s1
Definition date:	2022-10-04
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	[(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol

BZV

BZV
Name:	tetracosanoic acid
Formula:	C24 H48 O2
SMILES:	CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
InChi:	InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
Synonyms:	lignoceric acid
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	tetracosanoic acid

QL0

QL0
Name:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H13 N O2 S
SMILES:	CN(CCS)C(=O)c1cccc(C=O)c1
InChi:	InChI=1S/C11H13NO2S/c1-12(5-6-15)11(14)10-4-2-3-9(7-10)8-13/h2-4,7-8,15H,5-6H2,1H3
Definition date:	2022-11-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

QL9

QL9
Name:	3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide
Formula:	C11 H12 Br N O2 S
SMILES:	CN(CCS)C(=O)c1ccc(C=O)c(Br)c1
InChi:	InChI=1S/C11H12BrNO2S/c1-13(4-5-16)11(15)8-2-3-9(7-14)10(12)6-8/h2-3,6-7,16H,4-5H2,1H3
Definition date:	2022-11-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	3-bromanyl-4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide

QQ0

QQ0
Name:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide
Formula:	C10 H13 N O3 S2
SMILES:	CN(CCS)[S](=O)(=O)c1ccc(C=O)cc1
InChi:	InChI=1S/C10H13NO3S2/c1-11(6-7-15)16(13,14)10-4-2-9(8-12)3-5-10/h2-5,8,15H,6-7H2,1H3
Definition date:	2022-11-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-methanoyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzenesulfonamide

CVY

CVY
Name:	4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide
Formula:	C27 H18 F7 N7 O2
SMILES:	Cn1cc(cn1)c2n[nH]c3ccc(NC(=O)c4ccc(NC(=O)Nc5cc(ccc5F)C(F)(F)F)cc4C(F)(F)F)cc23
InChi:	InChI=1S/C27H18F7N7O2/c1-41-12-13(11-35-41)23-18-9-15(4-7-21(18)39-40-23)36-24(42)17-5-3-16(10-19(17)27(32,33)34)37-25(43)38-22-8-14(26(29,30)31)2-6-20(22)28/h2-12H,1H3,(H,36,42)(H,39,40)(H2,37,38,43)
Definition date:	2022-04-06
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide

SRW

SRW
Name:	2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol
Formula:	C26 H31 F N4 O2
SMILES:	COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5
InChi:	InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
Definition date:	2019-11-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol

E4I

E4I
Name:	1-methylimidazole-4-sulfonamide
Formula:	C4 H7 N3 O2 S
SMILES:	Cn1cnc(c1)[S](N)(=O)=O
InChi:	InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)
Definition date:	2022-01-03
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1-methylimidazole-4-sulfonamide

D5S

D5S
Name:	5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid
Formula:	C15 H12 O6
SMILES:	OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O
InChi:	InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
Synonyms:	5,5'-Methylenedisalicylic acid
Definition date:	2022-04-11
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	5-[(3-carboxy-4-oxidanyl-phenyl)methyl]-2-oxidanyl-benzoic acid

GRJ

GRJ
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
Formula:	C16 H25 N5 O15 P2
SMILES:	C[CH](O)[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O15P2/c1-4(22)11-8(24)10(26)15(34-11)35-38(30,31)36-37(28,29)32-2-5-7(23)9(25)14(33-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8-,9+,10-,11+,14+,15-/m0/s1
Definition date:	2022-05-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate

I5X

I5X
Name:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C23 H28 N4 O2 S
SMILES:	CSCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3
InChi:	InChI=1S/C23H28N4O2S/c1-13-19-17(11-23(2,3)12-18(19)28)24-20(13)22(29)27-16(9-10-30-4)21-25-14-7-5-6-8-15(14)26-21/h5-8,16,24H,9-12H2,1-4H3,(H,25,26)(H,27,29)/t16-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

I6L

I6L
Name:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
Formula:	C24 H30 N4 O2
SMILES:	CCCC[CH](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c3[nH]c4ccccc4n3
InChi:	InChI=1S/C24H30N4O2/c1-5-6-9-17(22-26-15-10-7-8-11-16(15)27-22)28-23(30)21-14(2)20-18(25-21)12-24(3,4)13-19(20)29/h7-8,10-11,17,25H,5-6,9,12-13H2,1-4H3,(H,26,27)(H,28,30)/t17-/m0/s1
Definition date:	2022-06-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	~{N}-[(1~{S})-1-(1~{H}-benzimidazol-2-yl)pentyl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide

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