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WRQ

WRQ
Name:	N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide
Formula:	C9 H15 N5 O7 S2
SMILES:	O=C(Nc1nc(cc(OC)n1)OC)NS(=O)(=O)N(C)S(C)(=O)=O
InChi:	InChI=1S/C9H15N5O7S2/c1-14(22(4,16)17)23(18,19)13-9(15)12-8-10-6(20-2)5-7(11-8)21-3/h5H,1-4H3,(H2,10,11,12,13,15)
Definition date:	2022-10-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N-methylmethanesulfonamide

U7R

U7R
Name:	(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one
Formula:	C22 H21 F N4 O4 S
SMILES:	FCCn1cc(nn1)c1ccc2C(=O)N(C)C=C(c3cc(ccc3OC)S(C)(=O)=O)c2c1
InChi:	InChI=1S/C22H21FN4O4S/c1-26-12-19(18-11-15(32(3,29)30)5-7-21(18)31-2)17-10-14(4-6-16(17)22(26)28)20-13-27(9-8-23)25-24-20/h4-7,10-13H,8-9H2,1-3H3
Definition date:	2022-08-10
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-2-methylisoquinolin-1(2H)-one

ZPB

ZPB
Name:	N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O2 S
SMILES:	O=C(N1CCN(CC1)C(=O)NC(C)C)c1cccs1
InChi:	InChI=1S/C13H19N3O2S/c1-10(2)14-13(18)16-7-5-15(6-8-16)12(17)11-4-3-9-19-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,18)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

ZPL

ZPL
Name:	N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C17 H22 N4 O2 S2
SMILES:	O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C)s1
InChi:	InChI=1S/C17H22N4O2S2/c1-12-13(2)25-15(19-12)5-6-18-17(23)21-9-7-20(8-10-21)16(22)14-4-3-11-24-14/h3-4,11H,5-10H2,1-2H3,(H,18,23)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

WSF

WSF
Name:	(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate
Formula:	C26 H51 O8 P
SMILES:	O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC
InChi:	InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1
Definition date:	2022-10-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate

ZQ0

ZQ0
Name:	N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H23 N3 O3
SMILES:	Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC
InChi:	InChI=1S/C15H23N3O3/c1-3-4-7-16-15(20)18-10-8-17(9-11-18)14(19)13-6-5-12(2)21-13/h5-6H,3-4,7-11H2,1-2H3,(H,16,20)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

ZQ5

ZQ5
Name:	N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O2 S
SMILES:	O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1
InChi:	InChI=1S/C14H21N3O2S/c1-2-3-6-15-14(19)17-9-7-16(8-10-17)13(18)12-5-4-11-20-12/h4-5,11H,2-3,6-10H2,1H3,(H,15,19)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

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

ZQ9

ZQ9
Name:	4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
Formula:	C15 H17 N3 O2 S2
SMILES:	O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1
InChi:	InChI=1S/C15H17N3O2S2/c19-14(13-4-2-10-22-13)17-5-7-18(8-6-17)15(20)16-11-12-3-1-9-21-12/h1-4,9-10H,5-8,11H2,(H,16,20)
Definition date:	2023-03-17
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide

U93

U93
Name:	(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid
Formula:	C17 H30 N4 O12 P2
SMILES:	Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C=O)N[CH](CO[P](O)(O)=O)C(O)=O)c1O
InChi:	InChI=1S/C17H30N4O12P2/c1-10-15(23)14(11(6-20-10)8-32-34(26,27)28)16(19-5-3-2-4-12(18)7-22)21-13(17(24)25)9-33-35(29,30)31/h6-7,12-13,16,19,21,23H,2-5,8-9,18H2,1H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t12-,13-,16+/m0/s1
Definition date:	2023-01-30
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2~{S})-2-[[(~{R})-[[(5~{S})-5-azanyl-6-oxidanylidene-hexyl]amino]-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methyl]amino]-3-phosphonooxy-propanoic acid

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

Y7R

Y7R
Name:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate
Formula:	C17 H28 O2
SMILES:	CC(=O)OCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
Synonyms:	(2E,6E)-farnesyl acetate
Definition date:	2023-02-22
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate

Y88

Y88
Name:	6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Formula:	C20 H20 F3 N5 O
SMILES:	O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m1/s1
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-[4-({4-[(2R)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile

Y89

Y89
Name:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
Formula:	C19 H21 Cl N4 O
SMILES:	O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C19H21ClN4O/c20-17-7-8-18(22-21-17)23-9-11-24(12-10-23)19(25)13-14-1-3-15(4-2-14)16-5-6-16/h1-4,7-8,16H,5-6,9-13H2
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one

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

Y90

Y90
Name:	6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
Formula:	C20 H20 F N5 O
SMILES:	O=C(Cc1ccc(cc1F)C1CC1)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H20FN5O/c21-18-11-15(14-1-2-14)3-4-16(18)12-20(27)26-9-7-25(8-10-26)19-6-5-17(13-22)23-24-19/h3-6,11,14H,1-2,7-10,12H2
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-{4-[(4-cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile

Y92

Y92
Name:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one
Formula:	C19 H20 Cl F N4 O
SMILES:	O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(Cl)nn1
InChi:	InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethan-1-one

Y93

Y93
Name:	1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
Formula:	C20 H23 Cl N4 O
SMILES:	O=C(Cc1ccc(cc1)C1CC1)N1CCN(CC1C)c1ccc(Cl)nn1
InChi:	InChI=1S/C20H23ClN4O/c1-14-13-24(19-9-8-18(21)22-23-19)10-11-25(14)20(26)12-15-2-4-16(5-3-15)17-6-7-17/h2-5,8-9,14,17H,6-7,10-13H2,1H3/t14-/m1/s1
Definition date:	2022-04-01
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one

Y99

Y99
Name:	6-[4-({4-[(2S)-1,1,1-trifluoropropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
Formula:	C20 H20 F3 N5 O
SMILES:	O=C(Cc1ccc(cc1)C(C)C(F)(F)F)N1CCN(CC1)c1ccc(C#N)nn1
InChi:	InChI=1S/C20H20F3N5O/c1-14(20(21,22)23)16-4-2-15(3-5-16)12-19(29)28-10-8-27(9-11-28)18-7-6-17(13-24)25-26-18/h2-7,14H,8-12H2,1H3/t14-/m0/s1
Definition date:	2022-04-11
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	6-[4-({4-[(2S)-1,1,1-trifluoropropan-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

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

LU3

LU3
Name:	1,3-thiazol-2-ylmethanamine
Formula:	C4 H6 N2 S
SMILES:	NCc1sccn1
InChi:	InChI=1S/C4H6N2S/c5-3-4-6-1-2-7-4/h1-2H,3,5H2
Definition date:	2022-12-08
Last modified:	2023-03-24
Release date:	2023-03-29
Identifier:	1,3-thiazol-2-ylmethanamine

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

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