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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

VLR

VLR
Name:	3-{2,16-dioxo-20-[(3aS,4R,6aS)-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/t36-,40-,44+/m1/s1
Definition date:	2023-09-13
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-{2,16-dioxo-20-[(3aS,4R,6aS)-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

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

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

VMD

VMD
Name:	4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide
Formula:	C20 H32 N6 O5 S
SMILES:	C[CH]1OC(C)(C)O[CH]1[CH](O)CNCCCn2cc(CNc3ccc(cc3)[S](N)(=O)=O)nn2
InChi:	InChI=1S/C20H32N6O5S/c1-14-19(31-20(2,3)30-14)18(27)12-22-9-4-10-26-13-16(24-25-26)11-23-15-5-7-17(8-6-15)32(21,28)29/h5-8,13-14,18-19,22-23,27H,4,9-12H2,1-3H3,(H2,21,28,29)/t14-,18-,19-/m1/s1
Definition date:	2023-03-20
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-[[1-[3-[[(2~{R})-2-oxidanyl-2-[(4~{S},5~{R})-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]amino]propyl]-1,2,3-triazol-4-yl]methylamino]benzenesulfonamide

USI

USI
Name:	~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Formula:	C20 H19 N5 O
SMILES:	COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4c3)nc(N)n2
InChi:	InChI=1S/C20H19N5O/c1-26-16-4-2-3-14(10-16)18-11-19(25-20(21)24-18)23-12-13-5-6-17-15(9-13)7-8-22-17/h2-11,22H,12H2,1H3,(H3,21,23,24,25)
Definition date:	2023-06-18
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine

VN9

VN9
Name:	3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C9 H9 N O
SMILES:	O=C1CCc2ccccc2N1
InChi:	InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
Definition date:	2023-03-20
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3,4-dihydro-1~{H}-quinolin-2-one

VNE

VNE
Name:	(3-methoxyphenyl)-pyrrol-1-yl-methanone
Formula:	C12 H11 N O2
SMILES:	COc1cccc(c1)C(=O)n2cccc2
InChi:	InChI=1S/C12H11NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h2-9H,1H3
Definition date:	2023-03-20
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(3-methoxyphenyl)-pyrrol-1-yl-methanone

VNO

VNO
Name:	1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea
Formula:	C8 H18 N2 O3 S
SMILES:	CC[S](=O)(=O)CCN(C)C(=O)N(C)C
InChi:	InChI=1S/C8H18N2O3S/c1-5-14(12,13)7-6-10(4)8(11)9(2)3/h5-7H2,1-4H3
Definition date:	2023-03-20
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	1-(2-ethylsulfonylethyl)-1,3,3-trimethyl-urea

VNV

VNV
Name:	3-phenyl-1,2-oxazol-5-amine
Formula:	C9 H8 N2 O
SMILES:	Nc1onc(c1)c2ccccc2
InChi:	InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2
Definition date:	2023-03-20
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	3-phenyl-1,2-oxazol-5-amine

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

W6F

W6F
Name:	2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium
Formula:	C39 H51 N6 O6 S2
SMILES:	O=C1NC2C(CCCCC(=O)NCCOCCOCCOCCNC(=O)C[n+]3c4ccccc4sc3/C=C3C=CN(C)c4cc(C)ccc43)SCC2N1
InChi:	InChI=1S/C39H50N6O6S2/c1-27-11-12-29-28(13-16-44(2)32(29)23-27)24-37-45(31-7-3-4-8-33(31)53-37)25-36(47)41-15-18-50-20-22-51-21-19-49-17-14-40-35(46)10-6-5-9-34-38-30(26-52-34)42-39(48)43-38/h3-4,7-8,11-13,16,23-24,30,34,38H,5-6,9-10,14-15,17-22,25-26H2,1-2H3,(H3-,40,41,42,43,46,47,48)/p+1/t30-,34-,38?/m0/s1
Definition date:	2023-09-25
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[(E)-(1,7-dimethylquinolin-4(1H)-ylidene)methyl]-3-{2,16-dioxo-20-[(3aR,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium

W8U

W8U
Name:	(4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine
Formula:	C21 H20 Cl N7 O
SMILES:	Clc1ncccc1Cc1nnc2cc(ccn21)c1nc(ncc1)NC1CCOCC1
InChi:	InChI=1S/C21H20ClN7O/c22-20-15(2-1-7-23-20)13-19-28-27-18-12-14(4-9-29(18)19)17-3-8-24-21(26-17)25-16-5-10-30-11-6-16/h1-4,7-9,12,16H,5-6,10-11,13H2,(H,24,25,26)
Definition date:	2023-09-27
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine

87I

87I
Name:	(2R,4R)-1-methyl-4-hydroxyl-pyrrolidine-2-carboxylic acid
Formula:	C6 H11 N O3
SMILES:	CN1C[CH](O)C[CH]1C(O)=O
InChi:	InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m1/s1
Definition date:	2023-03-17
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{R},4~{R})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

6IW

6IW
Name:	(2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid
Formula:	C6 H11 N O3
SMILES:	CN1C[CH](O)C[CH]1C(O)=O
InChi:	InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
Definition date:	2023-02-16
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid

Q73

Q73
Name:	(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid
Formula:	C28 H46 N2 O5
SMILES:	CC=C[CH]1O[CH](C[CH](O)[CH]1C)[CH](N)C=CC=C(C)C[CH](C)C=C(C)C=C[CH](O)C[CH](N)CC(O)=O
InChi:	InChI=1S/C28H46N2O5/c1-6-8-26-21(5)25(32)17-27(35-26)24(30)10-7-9-18(2)13-20(4)14-19(3)11-12-23(31)15-22(29)16-28(33)34/h6-12,14,20-27,31-32H,13,15-17,29-30H2,1-5H3,(H,33,34)/b8-6+,10-7+,12-11+,18-9+,19-14-/t20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
Definition date:	2023-03-24
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	(3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoic acid

Q90

Q90
Name:	4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:
SMILES:	OC(=O)COc1cc(Cl)ccc1c2ccc(C(O)=O)c(N[S](=O)(=O)c3ccc(cc3)c4ccccc4)c2
InChi:	InChI=1S/C27H20ClNO7S/c28-20-9-13-22(25(15-20)36-16-26(30)31)19-8-12-23(27(32)33)24(14-19)29-37(34,35)21-10-6-18(7-11-21)17-4-2-1-3-5-17/h1-15,29H,16H2,(H,30,31)(H,32,33)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-[4-chloranyl-2-(2-hydroxy-2-oxoethyloxy)phenyl]-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9F

Q9F
Name:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O5 S
SMILES:	OC(=O)c1c(O)cc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C25H18ClNO5S/c26-20-10-6-18(7-11-20)19-14-22(24(25(29)30)23(28)15-19)27-33(31,32)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chlorophenyl)-2-oxidanyl-6-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9L

Q9L
Name:	4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O4 S
SMILES:	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C25H18ClNO4S/c26-21-11-6-19(7-12-21)20-10-15-23(25(28)29)24(16-20)27-32(30,31)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,27H,(H,28,29)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chlorophenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

Q9R

Q9R
Name:	5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H17 Cl F N O5 S
SMILES:	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4
InChi:	InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(3-chloranyl-4-fluoranyl-phenyl)-2-oxidanyl-3-[(4-phenylphenyl)sulfonylamino]benzoic acid

QA0

QA0
Name:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid
Formula:	C26 H18 Cl N O6 S
SMILES:	OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1C(O)=O)c4ccc(Cl)cc4
InChi:	InChI=1S/C26H18ClNO6S/c27-20-10-6-18(7-11-20)19-14-22(25(29)30)24(26(31)32)23(15-19)28-35(33,34)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-15,28H,(H,29,30)(H,31,32)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]phthalic acid

QA3

QA3
Name:	4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid
Formula:	C25 H18 Cl N O5 S
SMILES:	OC(=O)c1ccc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4O
InChi:	InChI=1S/C25H18ClNO5S/c26-19-9-13-21(24(28)15-19)18-8-12-22(25(29)30)23(14-18)27-33(31,32)20-10-6-17(7-11-20)16-4-2-1-3-5-16/h1-15,27-28H,(H,29,30)
Definition date:	2023-03-28
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	4-(4-chloranyl-2-oxidanyl-phenyl)-2-[(4-phenylphenyl)sulfonylamino]benzoic acid

QAI

QAI
Name:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid
Formula:	C23 H16 Cl N O4 S2
SMILES:	OC(=O)c1sc(cc1N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c4ccc(Cl)cc4
InChi:	InChI=1S/C23H16ClNO4S2/c24-18-10-6-17(7-11-18)21-14-20(22(30-21)23(26)27)25-31(28,29)19-12-8-16(9-13-19)15-4-2-1-3-5-15/h1-14,25H,(H,26,27)
Definition date:	2023-03-29
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	5-(4-chlorophenyl)-3-[(4-phenylphenyl)sulfonylamino]thiophene-2-carboxylic acid

QB2

QB2
Name:	2-[(2R,3R,4S,5R,6R)-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid
Formula:	C22 H18 Cl2 F3 N3 O6 S
SMILES:	OC[CH]1O[CH](Sc2ccc(Cl)c(Cl)c2)[CH](OCC(O)=O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C22H18Cl2F3N3O6S/c23-11-2-1-10(5-12(11)24)37-22-21(35-8-17(32)33)19(20(34)16(7-31)36-22)30-6-15(28-29-30)9-3-13(25)18(27)14(26)4-9/h1-6,16,19-22,31,34H,7-8H2,(H,32,33)/t16-,19+,20+,21-,22-/m1/s1
Definition date:	2023-03-29
Last modified:	2024-03-22
Release date:	2024-03-27
Identifier:	2-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-5-oxidanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-yl]oxyethanoic acid

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