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ZTO

ZTO
Name:	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide
Formula:	C23 H19 F N2 O3
SMILES:	COc1ccc(cc1)C(=O)Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O
InChi:	InChI=1S/C23H19FN2O3/c1-29-18-8-5-15(6-9-18)22(27)25-17-4-2-3-14(11-17)12-20-19-13-16(24)7-10-21(19)26-23(20)28/h2-11,13,20H,12H2,1H3,(H,25,27)(H,26,28)/t20-/m1/s1
Definition date:	2023-03-31
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide

UKI

UKI
Name:	N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
Formula:	C24 H28 N6 O3 S
SMILES:	CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1
InChi:	InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
Synonyms:	Sulfatinib
Definition date:	2023-06-08
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

VFI

VFI
Name:	4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Formula:	C25 H24 N4 O2
SMILES:	COc1cc2c(cc1c3c(C)onc3C)ncc4nc(C)n([CH](C)c5ccccc5)c24
InChi:	InChI=1S/C25H24N4O2/c1-14-24(16(3)31-28-14)20-11-21-19(12-23(20)30-5)25-22(13-26-21)27-17(4)29(25)15(2)18-9-7-6-8-10-18/h6-13,15H,1-5H3/t15-/m1/s1
Definition date:	2023-07-22
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

WVU

WVU
Name:	(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate
Formula:	C12 H14 N2 O3
SMILES:	O=C1CN(CCN1)C(=O)OCc2ccccc2
InChi:	InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)17-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
Definition date:	2023-10-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate

WVZ

WVZ
Name:	(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one
Formula:	C15 H13 N O
SMILES:	O=C1Cc2ccccc2[CH](N1)c3ccccc3
InChi:	InChI=1S/C15H13NO/c17-14-10-12-8-4-5-9-13(12)15(16-14)11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)/t15-/m0/s1
Definition date:	2023-10-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one

VHU

VHU
Name:	(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one
Formula:	C29 H28 N4 O5
SMILES:	CC(=O)N1CCCC(C1)C(=O)N1CCN(CC1)C(=O)c1cc2cccc(c2o1)c1cccc2C(=O)N=Cc21
InChi:	InChI=1S/C29H28N4O5/c1-18(34)33-10-4-6-20(17-33)28(36)31-11-13-32(14-12-31)29(37)25-15-19-5-2-8-22(26(19)38-25)21-7-3-9-23-24(21)16-30-27(23)35/h2-3,5,7-9,15-16,20H,4,6,10-14,17H2,1H3/t20-/m0/s1
Definition date:	2023-09-12
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4M)-4-(2-{4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazine-1-carbonyl}-1-benzofuran-7-yl)-1H-isoindol-1-one

WET

WET
Name:	L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Formula:	C10 H11 N O3
SMILES:	OC(=O)[CH]1Cc2ccc(O)cc2CN1
InChi:	InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1
Synonyms:	(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(3~{S})-7-oxidanyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

WXH

WXH
Name:	(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
Formula:	C19 H17 F3 N4 O S
SMILES:	FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1
InChi:	InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27)
Definition date:	2023-05-22
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

XVC

XVC
Name:	6-azido-6-deoxy-alpha-D-glucopyranose
Formula:	C6 H11 N3 O5
SMILES:	OC1C(O)C(CN=[N+]=[N-])OC(O)C1O
InChi:	InChI=1S/C6H11N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,10-13H,1H2/t2-,3-,4+,5-,6+/m1/s1
Definition date:	2023-11-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	6-azido-6-deoxy-alpha-D-glucopyranose

XVI

XVI
Name:	2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide
Formula:	C23 H21 F3 N4 O3
SMILES:	COc1cc(cc(OC(F)F)c1C(=O)N[CH]2C[CH]2F)c3cnn4cc(ccc34)C(C)(C)C#N
InChi:	InChI=1S/C23H21F3N4O3/c1-23(2,11-27)13-4-5-17-14(9-28-30(17)10-13)12-6-18(32-3)20(19(7-12)33-22(25)26)21(31)29-16-8-15(16)24/h4-7,9-10,15-16,22H,8H2,1-3H3,(H,29,31)/t15-,16+/m0/s1
Definition date:	2023-11-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[bis(fluoranyl)methoxy]-4-[6-(2-cyanopropan-2-yl)pyrazolo[1,5-a]pyridin-3-yl]-~{N}-[(1~{R},2~{S})-2-fluoranylcyclopropyl]-6-methoxy-benzamide

WFZ

WFZ
Name:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid
Formula:	C16 H12 N4 O4 S2
SMILES:	COC(=O)c1csc(n1)c2ccc(C(O)=O)c(n2)c3csc(n3)C(N)=C
InChi:	InChI=1S/C16H12N4O4S2/c1-7(17)13-19-10(5-25-13)12-8(15(21)22)3-4-9(18-12)14-20-11(6-26-14)16(23)24-2/h3-6H,1,17H2,2H3,(H,21,22)
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[2-(1-azanylethenyl)-1,3-thiazol-4-yl]-6-(4-methoxycarbonyl-1,3-thiazol-2-yl)pyridine-3-carboxylic acid

XW3

XW3
Name:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C24 H22 Cl F N6 O3
SMILES:	CNc1ncc2C=C(C(=O)N(C[CH]3OC[CH](N)CO3)c2n1)c4ccc(cc4Cl)c5ncccc5F
InChi:	InChI=1S/C24H22ClFN6O3/c1-28-24-30-9-14-7-17(16-5-4-13(8-18(16)25)21-19(26)3-2-6-29-21)23(33)32(22(14)31-24)10-20-34-11-15(27)12-35-20/h2-9,15,20H,10-12,27H2,1H3,(H,28,30,31)/t15-,20-
Definition date:	2023-11-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

XWA

XWA
Name:	1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea
Formula:	C32 H37 N7 O3
SMILES:	COc1ccc(N(C(=O)Nc2c(C)cccc2C)c3cc(Nc4ccc(cc4)N5CCN(C)CC5)ncn3)c(OC)c1
InChi:	InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35)
Definition date:	2023-11-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	1-(2,4-dimethoxyphenyl)-3-(2,6-dimethylphenyl)-1-[6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]urea

WGB

WGB
Name:	(2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]propanoic acid
Formula:	C10 H13 N2 O4
SMILES:	CN[CH](Cc1ccc(cc1)[N-](O)=O)C(O)=O
InChi:	InChI=1S/C10H13N2O4/c1-11-9(10(13)14)6-7-2-4-8(5-3-7)12(15)16/h2-5,9,11H,6H2,1H3,(H,13,14)(H,15,16)/q-1/t9-/m0/s1
Definition date:	2023-10-03
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{S})-2-(methylamino)-3-[4-[oxidanyl(oxidanylidene)azanuidyl]phenyl]propanoic acid

VK0

VK0
Name:	2-[(~{E})-[6-(4-methoxyphenyl)-1-methyl-quinolin-4-ylidene]methyl]-3-methyl-1,3-benzothiazole
Formula:	C26 H23 N2 O S
SMILES:	COc1ccc(cc1)c1ccc2c(c1)C(C=CN2C)=Cc1sc2ccccc2[n+]1C
InChi:	InChI=1S/C26H23N2OS/c1-27-15-14-20(17-26-28(2)24-6-4-5-7-25(24)30-26)22-16-19(10-13-23(22)27)18-8-11-21(29-3)12-9-18/h4-17H,1-3H3/q+1
Definition date:	2023-09-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium

WZ9

WZ9
Name:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H13 N3 O
SMILES:	Nc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H13N3O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9,15H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

WZL

WZL
Name:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Formula:	C14 H11 Br N2 O
SMILES:	Brc1cccc2N(Cc3ccccc3)C(=O)Nc12
InChi:	InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one

UPO

UPO
Name:	4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
Formula:	C22 H24 N4 O3
SMILES:	COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(OC)cc4C3
InChi:	InChI=1S/C22H24N4O3/c1-27-17-6-4-5-15(9-17)18-12-21(25-22(23)24-18)26-8-7-14-10-19(28-2)20(29-3)11-16(14)13-26/h4-6,9-12H,7-8,13H2,1-3H3,(H2,23,24,25)
Definition date:	2023-06-14
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine

WZR

WZR
Name:	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C15 H13 N O2
SMILES:	Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3
InChi:	InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one

VKI

VKI
Name:	3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium
Formula:	C45 H55 N6 O7 S2
SMILES:	O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4ccc(cc43)c3ccc(OC)cc3)SCC2N1
InChi:	InChI=1S/C45H54N6O7S2/c1-50-20-17-33(35-27-32(13-16-37(35)50)31-11-14-34(55-2)15-12-31)28-43-51(38-7-3-4-8-39(38)60-43)29-42(53)47-19-22-57-24-26-58-25-23-56-21-18-46-41(52)10-6-5-9-40-44-36(30-59-40)48-45(54)49-44/h3-4,7-8,11-17,20,27-28,36,40,44H,5-6,9-10,18-19,21-26,29-30H2,1-2H3,(H3-,46,47,48,49,52,53,54)/p+1
Definition date:	2023-09-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-[2,16-dioxo-20-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-6,9,12-trioxa-3,15-diazaicosan-1-yl]-2-{(E)-[6-(4-methoxyphenyl)-1-methylquinolin-4(1H)-ylidene]methyl}-1,3-benzothiazol-3-ium

WZX

WZX
Name:	ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate
Formula:	C12 H14 N2 O3
SMILES:	CCOC(=O)CN1CC(=O)Nc2ccccc12
InChi:	InChI=1S/C12H14N2O3/c1-2-17-12(16)8-14-7-11(15)13-9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,13,15)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate

XFZ

XFZ
Name:	Bis-1,3-phenyl guanylhydrazon
Formula:	C10 H14 N8
SMILES:	NC(N)=NN=Cc1cccc(C=NN=C(N)N)c1
InChi:	InChI=1S/C10H14N8/c11-9(12)17-15-5-7-2-1-3-8(4-7)6-16-18-10(13)14/h1-6H,(H4,11,12,17)(H4,13,14,18)/b15-5+,16-6+
Synonyms:	2-[(E)-[3-[(E)-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine
Definition date:	2023-11-01
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[(~{E})-[3-[(~{E})-[bis(azanyl)methylidenehydrazinylidene]methyl]phenyl]methylideneamino]guanidine

ZJZ

ZJZ
Name:	7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine
Formula:	C14 H12 Cl N4 Pt S
SMILES:	NC(=S)NN=C(c1cc(Cl)ccc1N)c2ccccc2[Pt]
InChi:	InChI=1S/C14H12ClN4S.Pt/c15-10-6-7-12(16)11(8-10)13(18-19-14(17)20)9-4-2-1-3-5-9
Definition date:	2023-04-01
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine

X0H

X0H
Name:	methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate
Formula:	C12 H11 N O3
SMILES:	COC(=O)CC1=CC(=O)Nc2ccccc12
InChi:	InChI=1S/C12H11NO3/c1-16-12(15)7-8-6-11(14)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,13,14)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate

X0L

X0L
Name:	4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione
Formula:	C16 H14 N2 O2
SMILES:	Cc1ccc(CN2C(=O)C(=O)Nc3ccccc23)cc1
InChi:	InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)
Definition date:	2023-10-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione

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