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N6N

N6N
Name:	3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione
Formula:	C8 H6 Br N3 S
SMILES:	Brc1cccc(c1)C2=NNC(=S)N2
InChi:	InChI=1S/C8H6BrN3S/c9-6-3-1-2-5(4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione

N7C

N7C
Name:	~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
Formula:	C11 H11 N3 O
SMILES:	Cn1cnc2c(NC(=O)C=C)cccc12
InChi:	InChI=1S/C11H11N3O/c1-3-10(15)13-8-5-4-6-9-11(8)12-7-14(9)2/h3-7H,1H2,2H3,(H,13,15)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide

N86

N86
Name:	~{N}-quinolin-7-ylprop-2-enamide
Formula:	C12 H10 N2 O
SMILES:	C=CC(=O)Nc1ccc2cccnc2c1
InChi:	InChI=1S/C12H10N2O/c1-2-12(15)14-10-6-5-9-4-3-7-13-11(9)8-10/h2-8H,1H2,(H,14,15)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-quinolin-7-ylprop-2-enamide

N8O

N8O
Name:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide
Formula:	C12 H15 N5 O
SMILES:	CN(C)c1cc(NC(=O)C=C)nc2cc(C)nn12
InChi:	InChI=1S/C12H15N5O/c1-5-11(18)14-9-7-12(16(3)4)17-10(13-9)6-8(2)15-17/h5-7H,1H2,2-4H3,(H,13,14,18)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-[7-(dimethylamino)-2-methyl-pyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide

N99

N99
Name:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide
Formula:	C10 H9 N3 O
SMILES:	C=CC(=O)Nc1cc2ccccn2n1
InChi:	InChI=1S/C10H9N3O/c1-2-10(14)11-9-7-8-5-3-4-6-13(8)12-9/h2-7H,1H2,(H,11,12,14)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide

N9L

N9L
Name:	~{N}-(4-phenylpyridin-2-yl)prop-2-enamide
Formula:	C14 H12 N2 O
SMILES:	C=CC(=O)Nc1cc(ccn1)c2ccccc2
InChi:	InChI=1S/C14H12N2O/c1-2-14(17)16-13-10-12(8-9-15-13)11-6-4-3-5-7-11/h2-10H,1H2,(H,15,16,17)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-(4-phenylpyridin-2-yl)prop-2-enamide

N9R

N9R
Name:	~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
Formula:	C16 H14 N4 O
SMILES:	Cn1cc(c2cc(NC(=O)C=C)ncn2)c3ccccc13
InChi:	InChI=1S/C16H14N4O/c1-3-16(21)19-15-8-13(17-10-18-15)12-9-20(2)14-7-5-4-6-11(12)14/h3-10H,1H2,2H3,(H,17,18,19,21)
Definition date:	2023-01-11
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide

LWX

LWX
Name:	6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
Formula:	C30 H33 Br N6 O2
SMILES:	CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5)c4n3)c6ccccc6Br)cc2C
InChi:	InChI=1S/C30H33BrN6O2/c1-20-16-22(9-10-27(20)36-13-11-35(2)12-14-36)33-30-32-18-21-17-25(24-7-3-4-8-26(24)31)29(38)37(28(21)34-30)19-23-6-5-15-39-23/h3-4,7-10,16-18,23H,5-6,11-15,19H2,1-2H3,(H,32,33,34)/t23-/m0/s1
Definition date:	2022-12-16
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2~{S})-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one

LXO

LXO
Name:	4-(pyridin-4-ylamino)butanoic acid
Formula:	C9 H12 N2 O2
SMILES:	OC(=O)CCCNc1ccncc1
InChi:	InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13)
Definition date:	2022-12-16
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	4-(pyridin-4-ylamino)butanoic acid

B3F

B3F
Name:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula:	C20 H26 N2 O2
SMILES:	CCCCCOc1cccc(Nc2ccccc2NC(=O)CC)c1
InChi:	InChI=1S/C20H26N2O2/c1-3-5-8-14-24-17-11-9-10-16(15-17)21-18-12-6-7-13-19(18)22-20(23)4-2/h6-7,9-13,15,21H,3-5,8,14H2,1-2H3,(H,22,23)
Definition date:	2023-07-17
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide

MWF

MWF
Name:	(2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
Formula:	C18 H19 F2 N5 O4
SMILES:	C[CH](Nc1ccc2c(OCCn3cc(nc23)N4[CH](COC4=O)C(F)F)c1)C(N)=O
InChi:	InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12+/m1/s1
Synonyms:	Inavolisib
Definition date:	2022-08-08
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(2~{R})-2-[[2-[(4~{S})-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide

MWU

MWU
Name:	~{N}-pyridin-2-ylprop-2-enamide
Formula:	C8 H8 N2 O
SMILES:	C=CC(=O)Nc1ccccn1
InChi:	InChI=1S/C8H8N2O/c1-2-8(11)10-7-5-3-4-6-9-7/h2-6H,1H2,(H,9,10,11)
Definition date:	2023-01-05
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-pyridin-2-ylprop-2-enamide

7TG

7TG
Name:	[(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate
Formula:	C20 H31 N2 O6 P
SMILES:	CN[CH]1CN2[CH](Cc3ccc(OC)cc3)[CH](O)[CH]4C[C]2(CC[CH]4O[P](O)(O)=O)C1
InChi:	InChI=1S/C20H31N2O6P/c1-21-14-10-20-8-7-18(28-29(24,25)26)16(11-20)19(23)17(22(20)12-14)9-13-3-5-15(27-2)6-4-13/h3-6,14,16-19,21,23H,7-12H2,1-2H3,(H2,24,25,26)/t14-,16-,17-,18-,19-,20+/m0/s1
Definition date:	2021-10-25
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	[(1~{S},3~{S},6~{S},7~{S},8~{R},9~{S})-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^{1,5}]dodecan-9-yl] dihydrogen phosphate

F3Y

F3Y
Name:	~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide
Formula:	C20 H26 N2 O2
SMILES:	CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1
InChi:	InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23)
Definition date:	2023-07-18
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide

UDI

UDI
Name:	butane-1,4-dithiol
Formula:	C4 H10 S2
SMILES:	SCCCCS
InChi:	InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
Synonyms:	1,2-dithiane 1-oxide (reacted)
Definition date:	2023-02-01
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	butane-1,4-dithiol

UHU

UHU
Name:	(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol
Formula:	C6 H11 N O3
SMILES:	OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12
InChi:	InChI=1S/C6H11NO3/c8-1-2-3-4(7-3)6(10)5(2)9/h2-10H,1H2/t2-,3+,4+,5+,6+/m1/s1
Definition date:	2023-09-05
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol

UI5

UI5
Name:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
Formula:	C6 H13 N O3
SMILES:	N[CH]1C[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1
Definition date:	2023-09-05
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

UJR

UJR
Name:	(2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal
Formula:	C7 H8 I N3 O S
SMILES:	N[CH](CSc1ncc(I)cn1)C=O
InChi:	InChI=1S/C7H8IN3OS/c8-5-1-10-7(11-2-5)13-4-6(9)3-12/h1-3,6H,4,9H2/t6-/m1/s1
Synonyms:	arylated cysteine
Definition date:	2023-02-06
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal

O7I

O7I
Name:	(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid
Formula:	C22 H22 N2 O3
SMILES:	O=C(O)c1ccc(cc1C1CCCC1)c1ncnc2cc(ccc21)OCC
InChi:	InChI=1S/C22H22N2O3/c1-2-27-16-8-10-18-20(12-16)23-13-24-21(18)15-7-9-17(22(25)26)19(11-15)14-5-3-4-6-14/h7-14H,2-6H2,1H3,(H,25,26)
Definition date:	2023-08-17
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid

V8O

V8O
Name:	5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide
Formula:	C19 H15 N3 O2 S2
SMILES:	Cc1cc(cnc1c2cccc3ncccc23)c4sc(cc4)[S](N)(=O)=O
InChi:	InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)
Definition date:	2023-02-27
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide

VIZ

VIZ
Name:	2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid
Formula:	C18 H16 N2 O6 S2
SMILES:	ON1C(=CSC1=NC(=O)C[S](=O)(=O)Cc2ccc3ccccc3c2)CC(O)=O
InChi:	InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)/b19-18-
Definition date:	2023-07-27
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	2-[(2~{Z})-2-[2-(naphthalen-2-ylmethylsulfonyl)ethanoylimino]-3-oxidanyl-1,3-thiazol-4-yl]ethanoic acid

VJF

VJF
Name:	2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid
Formula:	C14 H15 N3 O6 S2
SMILES:	ON1C(=CSC1=NC(=O)CCN[S](=O)(=O)c2ccccc2)CC(O)=O
InChi:	InChI=1S/C14H15N3O6S2/c18-12(16-14-17(21)10(9-24-14)8-13(19)20)6-7-15-25(22,23)11-4-2-1-3-5-11/h1-5,9,15,21H,6-8H2,(H,19,20)/b16-14-
Definition date:	2023-07-27
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid

VK6

VK6
Name:	2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid
Formula:	C16 H17 N3 O6 S2
SMILES:	ON1C(=CSC1=NC(=O)[CH]2CCN(C2)[S](=O)(=O)c3ccccc3)CC(O)=O
InChi:	InChI=1S/C16H17N3O6S2/c20-14(21)8-12-10-26-16(19(12)23)17-15(22)11-6-7-18(9-11)27(24,25)13-4-2-1-3-5-13/h1-5,10-11,23H,6-9H2,(H,20,21)/b17-16-/t11-/m1/s1
Definition date:	2023-07-27
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	2-[(2~{Z})-3-oxidanyl-2-[(3~{R})-1-(phenylsulfonyl)pyrrolidin-3-yl]carbonylimino-1,3-thiazol-4-yl]ethanoic acid

VQO

VQO
Name:	methanimidate
Formula:	C H2 N O
SMILES:	[O-]C=N
InChi:	InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/p-1
Definition date:	2023-08-04
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	methanimidate

W2T

W2T
Name:	(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide
Formula:	C26 H24 Cl F N4 O3
SMILES:	Fc1ccc(cc1)C(C)NC(=O)c1cc2c(cc1)NC(=O)C/2=C/c1[NH]c(C)c(NC(=O)CCl)c1C
InChi:	InChI=1S/C26H24ClFN4O3/c1-13-22(29-15(3)24(13)32-23(33)12-27)11-20-19-10-17(6-9-21(19)31-26(20)35)25(34)30-14(2)16-4-7-18(28)8-5-16/h4-11,14,29H,12H2,1-3H3,(H,30,34)(H,31,35)(H,32,33)/b20-11-/t14-/m1/s1
Definition date:	2023-09-22
Last modified:	2023-12-08
Release date:	2023-12-13
Identifier:	(3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide

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