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WNO

WNO
Name:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine
Formula:	C15 H18 N4
SMILES:	CCN1CCN[CH]1c2cccc(n2)c3ccccn3
InChi:	InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1
Definition date:	2023-10-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine

VPN

VPN
Name:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
Formula:	C45 H83 Br4 O13 P
SMILES:	OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC
InChi:	InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1
Definition date:	2023-09-15
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate

W4X

W4X
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O5
SMILES:	OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4
InChi:	InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

W52

W52
Name:	2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O4
SMILES:	Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4
InChi:	InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

W5E

W5E
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O6
SMILES:	Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4
InChi:	InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

Y2W

Y2W
Name:	[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid
Formula:	C7 H15 N O6 S
SMILES:	N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O
InChi:	InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1
Definition date:	2023-11-16
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid

U5D

U5D
Name:	2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:	C23 H20 N2 O4
SMILES:	CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:	InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
Definition date:	2023-05-17
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one

LVC

LVC
Name:	4-(2-oxopropyl)benzoic acid
Formula:	C10 H10 O3
SMILES:	O=C(C)Cc1ccc(cc1)C(=O)O
InChi:	InChI=1S/C10H10O3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(2-oxopropyl)benzoic acid

LVK

LVK
Name:	4-propanoylbenzoic acid
Formula:	C10 H10 O3
SMILES:	OC(=O)c1ccc(cc1)C(=O)CC
InChi:	InChI=1S/C10H10O3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6H,2H2,1H3,(H,12,13)
Definition date:	2022-03-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-propanoylbenzoic acid

4Q8

4Q8
Name:	5-methyl-1-(phenylmethyl)imidazole
Formula:	C11 H12 N2
SMILES:	Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H12N2/c1-10-7-12-9-13(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
Definition date:	2023-01-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methyl-1-(phenylmethyl)imidazole

F3L

F3L
Name:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile
Formula:	C17 H16 Cl F N4 O4 S
SMILES:	NC[C]1(O)CN(C[CH]1Oc2ccc(C#N)c(F)c2)[S](=O)(=O)c3ccc(Cl)cn3
InChi:	InChI=1S/C17H16ClFN4O4S/c18-12-2-4-16(22-7-12)28(25,26)23-8-15(17(24,9-21)10-23)27-13-3-1-11(6-20)14(19)5-13/h1-5,7,15,24H,8-10,21H2/t15-,17-/m0/s1
Synonyms:	4-[(3S,4S)-4-(aminomethyl)-1-(5-chloropyridin-2-yl)sulfonyl-4-hydroxypyrrolidin-3-yl]oxy-2-fluorobenzonitrile
Definition date:	2023-06-27
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile

F9M

F9M
Name:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Formula:	C25 H23 F3 N8 O S2
SMILES:	Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2
InChi:	InChI=1S/C25H23F3N8OS2/c1-13-21(39-14(2)32-13)19-12-38-24(33-19)34-20-6-3-15(7-29-20)22(37)36-17-4-5-18(36)11-35(10-17)23-30-8-16(9-31-23)25(26,27)28/h3,6-9,12,17-18H,4-5,10-11H2,1-2H3,(H,29,33,34)/t17-,18+
Definition date:	2023-07-04
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone

FDO

FDO
Name:	(2~{R})-4-methyl-2-(methylamino)pentanamide
Formula:	C7 H16 N2 O
SMILES:	CN[CH](CC(C)C)C(N)=O
InChi:	InChI=1S/C7H16N2O/c1-5(2)4-6(9-3)7(8)10/h5-6,9H,4H2,1-3H3,(H2,8,10)/t6-/m1/s1
Definition date:	2023-07-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2~{R})-4-methyl-2-(methylamino)pentanamide

A1AJ8

A1AJ8
Name:	(3-fluorophenyl)(piperazin-1-yl)methanone
Formula:	C11 H13 F N2 O
SMILES:	O=C(c1cccc(F)c1)N1CCNCC1
InChi:	InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-fluorophenyl)(piperazin-1-yl)methanone

A1AJ9

A1AJ9
Name:	4-methoxy-2-(piperazin-1-yl)pyrimidine
Formula:	C9 H14 N4 O
SMILES:	COc1nc(ncc1)N1CCNCC1
InChi:	InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-methoxy-2-(piperazin-1-yl)pyrimidine

A1AJQ

A1AJQ
Name:	4-(piperazin-1-yl)quinoline
Formula:	C13 H15 N3
SMILES:	c1cc(c2ccccc2n1)N1CCNCC1
InChi:	InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(piperazin-1-yl)quinoline

A1AJR

A1AJR
Name:	1,2,3,4-tetrahydro-1,5-naphthyridine
Formula:	C8 H10 N2
SMILES:	c1ccnc2CCCNc12
InChi:	InChI=1S/C8H10N2/c1-3-7-8(9-5-1)4-2-6-10-7/h1,3,5,10H,2,4,6H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1,2,3,4-tetrahydro-1,5-naphthyridine

A1AJU

A1AJU
Name:	4-ethenyl-1H-imidazole
Formula:	C5 H6 N2
SMILES:	C=Cc1c[NH]cn1
InChi:	InChI=1S/C5H6N2/c1-2-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-ethenyl-1H-imidazole

A1AJV

A1AJV
Name:	3-ethenyl-1,2-dimethyl-pyrazole
Formula:	C7 H11 N2
SMILES:	C[n+]1ccc(C=C)n1C
InChi:	InChI=1S/C7H11N2/c1-4-7-5-6-8(2)9(7)3/h4-6H,1H2,2-3H3/q+1
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-ethenyl-1,2-dimethyl-1H-pyrazol-2-ium

A1AJY

A1AJY
Name:	3-ethenyl-1-methyl-pyridine
Formula:	C8 H10 N
SMILES:	C[n+]1cccc(C=C)c1
InChi:	InChI=1S/C8H10N/c1-3-8-5-4-6-9(2)7-8/h3-7H,1H2,2H3/q+1
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	3-ethenyl-1-methylpyridin-1-ium

A1AJZ

A1AJZ
Name:	4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Formula:	C6 H10 N2 O2
SMILES:	OCCC=1C(=O)NNC=1C
InChi:	InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one

A1AKA

A1AKA
Name:	(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Formula:	C7 H11 N3
SMILES:	Cc1cnn2CCNCc12
InChi:	InChI=1S/C7H11N3/c1-6-4-9-10-3-2-8-5-7(6)10/h4,8H,2-3,5H2,1H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(8S)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

A1AKB

A1AKB
Name:	N,N-dimethylpiperazine-1-carboxamide
Formula:	C7 H15 N3 O
SMILES:	O=C(N(C)C)N1CCNCC1
InChi:	InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	N,N-dimethylpiperazine-1-carboxamide

A1AOE

A1AOE
Name:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Formula:	C15 H21 F3 N2 O2
SMILES:	OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

A1AOF

A1AOF
Name:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
Formula:	C14 H18 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21
InChi:	InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol

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