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YII

YII
Name:	3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one
Formula:	C19 H18 N4 O2 S
SMILES:	CS(=O)c1cc2c(cc1)c1C=NN(Cc3cccc(N)c3)C(=O)c1n2C
InChi:	InChI=1S/C19H18N4O2S/c1-22-17-9-14(26(2)25)6-7-15(17)16-10-21-23(19(24)18(16)22)11-12-4-3-5-13(20)8-12/h3-10H,11,20H2,1-2H3/t26-/m1/s1
Definition date:	2023-02-06
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	3-[(3-aminophenyl)methyl]-7-[(R)-methanesulfinyl]-5-methyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

YJE

YJE
Name:	4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid
Formula:	C11 H12 O4
SMILES:	OC(C)(C(C)=O)c1ccc(cc1)C(=O)O
InChi:	InChI=1S/C11H12O4/c1-7(12)11(2,15)9-5-3-8(4-6-9)10(13)14/h3-6,15H,1-2H3,(H,13,14)/t11-/m1/s1
Definition date:	2023-02-07
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	4-[(2S)-2-hydroxy-3-oxobutan-2-yl]benzoic acid

YKL

YKL
Name:	N-[(1'S,3aS,5R,15S,17S,19Z,21S,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C46 H59 Cl F N7 O8 S
SMILES:	Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(CN2CC3COCCN3CC2)(OC)C(F)=CCC(C)C1
InChi:	InChI=1S/C46H59ClFN7O8S/c1-30-7-12-40(48)46(60-4,28-53-15-16-54-17-19-61-25-35(54)23-53)41-33(13-18-62-41)22-55-27-45(14-5-6-31-20-34(47)9-10-37(31)45)29-63-39-11-8-32(21-38(39)55)42(56)50-64(58,26-30)51-43(57)36-24-52(2)49-44(36)59-3/h8-12,20-21,24,30,33,35,41H,5-7,13-19,22-23,25-29H2,1-4H3,(H,50,51,56,57,58)/b40-12-/t30-,33-,35-,41+,45-,46+,64-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	N-[(1'S,3aS,5R,15S,17S,19Z,21S,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide

YKT

YKT
Name:	(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione
Formula:	C41 H54 Cl F N4 O7 S
SMILES:	Clc1cc2CCCC3(CN4CC5CCOC5C(CN5CC6COCCN6CC5)(OC)C(F)=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1
InChi:	InChI=1S/C41H54ClFN4O7S/c1-27-6-11-37(43)41(51-3,25-45-14-15-46-16-18-52-23-33(46)22-45)38-31(12-17-53-38)21-47-24-40(13-4-5-29-19-32(42)8-9-34(29)40)26-54-36-10-7-30(20-35(36)47)39(48)44-55(49,50)28(27)2/h7-11,19-20,27-28,31,33,38H,4-6,12-18,21-26H2,1-3H3,(H,44,48)/b37-11-/t27-,28+,31-,33-,38+,40-,41-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione

YKX

YKX
Name:	N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C38 H45 Cl F N5 O7 S
SMILES:	Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(OC)C(F)=CCC(C)C1
InChi:	InChI=1S/C38H45ClFN5O7S/c1-23-7-11-30(40)34(49-3)33-26(13-15-51-33)18-45-21-38(14-5-6-24-16-27(39)9-10-29(24)38)22-52-32-12-8-25(17-31(32)45)35(46)42-53(48,20-23)43-36(47)28-19-44(2)41-37(28)50-4/h8-12,16-17,19,23,26,33-34H,5-7,13-15,18,20-22H2,1-4H3,(H,42,43,46,47,48)/b30-11-/t23-,26-,33+,34-,38-,53-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide

U79

U79
Name:	methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate
Formula:	C44 H38 N8 O5 S2
SMILES:	COC(=O)C[CH]1N=C(c2ccc(cc2)c3ccc(cc3)C(=O)NCc4ccc(cc4)[S](=O)(=O)Nc5ccc(C)c6c5[nH]cc6C#N)c7c(C)c(C)sc7n8c(C)nnc18
InChi:	InChI=1S/C44H38N8O5S2/c1-24-6-19-35(41-38(24)33(21-45)23-46-41)51-59(55,56)34-17-7-28(8-18-34)22-47-43(54)32-15-11-30(12-16-32)29-9-13-31(14-10-29)40-39-25(2)26(3)58-44(39)52-27(4)49-50-42(52)36(48-40)20-37(53)57-5/h6-19,23,36,46,51H,20,22H2,1-5H3,(H,47,54)/t36-/m0/s1
Definition date:	2023-01-27
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	methyl 2-[(9~{S})-7-[4-[4-[[4-[(3-cyano-4-methyl-1~{H}-indol-7-yl)sulfamoyl]phenyl]methylcarbamoyl]phenyl]phenyl]-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoate

YLF

YLF
Name:	N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Formula:	C46 H59 Cl F N7 O8 S
SMILES:	Cn1cc(c(OC)n1)C(=O)NS1(=O)=NC(=O)c2cc3N(CC4(CCCc5cc(Cl)ccc54)COc3cc2)CC2CCOC2C(CN2CC3COCCN3CC2)(OC)C(F)=CCC(C)C1
InChi:	InChI=1S/C46H59ClFN7O8S/c1-30-7-12-40(48)46(60-4,28-53-15-16-54-17-19-61-25-35(54)23-53)41-33(13-18-62-41)22-55-27-45(14-5-6-31-20-34(47)9-10-37(31)45)29-63-39-11-8-32(21-38(39)55)42(56)50-64(58,26-30)51-43(57)36-24-52(2)49-44(36)59-3/h8-12,20-21,24,30,33,35,41H,5-7,13-19,22-23,25-29H2,1-4H3,(H,50,51,56,57,58)/b40-12-/t30-,33-,35-,41+,45-,46-,64-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	N-[(1'S,3aS,5R,15S,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-{[(5S,9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]methyl}-21-methoxy-17-methyl-13,15-dioxo-2,3,3',3a,4,4',13,16,17,18,21,21a-dodecahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-(ethanediylidene)-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalen]-15-yl]-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide

YLK

YLK
Name:	(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione
Formula:	C33 H40 Cl F N2 O6 S
SMILES:	Clc1cc2CCCC3(CN4CC5CCOC5C(OC)C(F)=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1
InChi:	InChI=1S/C33H40ClFN2O6S/c1-20-6-10-27(35)31(41-3)30-24(12-14-42-30)17-37-18-33(13-4-5-22-15-25(34)8-9-26(22)33)19-43-29-11-7-23(16-28(29)37)32(38)36-44(39,40)21(20)2/h7-11,15-16,20-21,24,30-31H,4-6,12-14,17-19H2,1-3H3,(H,36,38)/b27-10-/t20-,21+,24-,30+,31-,33-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(1'S,3aS,5R,16R,17S,19Z,21R,21aR)-6'-chloro-20-fluoro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione

YLT

YLT
Name:	(1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione
Formula:	C33 H41 Cl N2 O6 S
SMILES:	Clc1cc2CCCC3(CN4CC5CCOC5C(OC)C=CCC(C)C(C)S(=O)(=O)NC(=O)c5cc4c(cc5)OC3)c2cc1
InChi:	InChI=1S/C33H41ClN2O6S/c1-21-6-4-8-30(40-3)31-25(13-15-41-31)18-36-19-33(14-5-7-23-16-26(34)10-11-27(23)33)20-42-29-12-9-24(17-28(29)36)32(37)35-43(38,39)22(21)2/h4,8-12,16-17,21-22,25,30-31H,5-7,13-15,18-20H2,1-3H3,(H,35,37)/b8-4+/t21-,22+,25-,30-,31+,33-/m0/s1
Definition date:	2023-02-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(1'S,3aS,5R,16R,17S,19E,21S,21aR)-6'-chloro-21-methoxy-16,17-dimethyl-2,3,3',3a,4',16,17,18,21,21a-decahydro-2'H,6H,8H-15lambda~6~-spiro[10,12-etheno-15lambda~6~-furo[3,2-i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-7,1'-naphthalene]-13,15,15(4H,14H)-trione

WAK

WAK
Name:	(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one
Formula:	C21 H22 N4 O S
SMILES:	O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5
InChi:	InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21-
Definition date:	2023-05-10
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one

WAP

WAP
Name:	7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C18 H15 N9
SMILES:	N#Cc1cnn2c(NC3CC3)cc(Nc4cccc(c4)n5cnnc5)nc12
InChi:	InChI=1S/C18H15N9/c19-8-12-9-22-27-17(24-13-4-5-13)7-16(25-18(12)27)23-14-2-1-3-15(6-14)26-10-20-21-11-26/h1-3,6-7,9-11,13,24H,4-5H2,(H,23,25)
Definition date:	2023-05-10
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

WAZ

WAZ
Name:	(4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one
Formula:	C18 H22 N4 O2 S
SMILES:	COC[CH](CC(C)C)NC1=NC(=Cc2ccc3ncsc3c2)C(=O)N1
InChi:	InChI=1S/C18H22N4O2S/c1-11(2)6-13(9-24-3)20-18-21-15(17(23)22-18)7-12-4-5-14-16(8-12)25-10-19-14/h4-5,7-8,10-11,13H,6,9H2,1-3H3,(H2,20,21,22,23)/b15-7-/t13-/m1/s1
Definition date:	2023-05-10
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one

ZWK

ZWK
Name:	[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone
Formula:	C20 H21 N5 O
SMILES:	O=C(c1ccccc1C)N1CCN(CC1)c1cc2cnnc(N)c2cc1
InChi:	InChI=1S/C20H21N5O/c1-14-4-2-3-5-17(14)20(26)25-10-8-24(9-11-25)16-6-7-18-15(12-16)13-22-23-19(18)21/h2-7,12-13H,8-11H2,1H3,(H2,21,23)
Definition date:	2023-04-11
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone

JTO

JTO
Name:	[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid
Formula:	C13 H12 N3 O5 P S
SMILES:	O[P](O)(=O)COc1ccccc1Sc2c[nH]c3C(=O)NC=Nc23
InChi:	InChI=1S/C13H12N3O5PS/c17-13-12-11(15-6-16-13)10(5-14-12)23-9-4-2-1-3-8(9)21-7-22(18,19)20/h1-6,14H,7H2,(H,15,16,17)(H2,18,19,20)
Definition date:	2022-05-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid

JU9

JU9
Name:	[(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
Formula:	C15 H14 N3 O5 P S
SMILES:	COc1ccc(C=C[P](O)(O)=O)c(Sc2c[nH]c3C(=O)NC=Nc23)c1
InChi:	InChI=1S/C15H14N3O5PS/c1-23-10-3-2-9(4-5-24(20,21)22)11(6-10)25-12-7-16-14-13(12)17-8-18-15(14)19/h2-8,16H,1H3,(H,17,18,19)(H2,20,21,22)/b5-4+
Definition date:	2022-05-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid

Q3V

Q3V
Name:	N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine
Formula:	C15 H21 N5 O5
SMILES:	C/C(CO)=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChi:	InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1
Definition date:	2022-06-01
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine

JKI

JKI
Name:	4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide
Formula:	C17 H13 Br N2 O2 S
SMILES:	Brc1ccc(cc1)[S](=O)(=O)Nc2cccc(c2)c3ccccn3
InChi:	InChI=1S/C17H13BrN2O2S/c18-14-7-9-16(10-8-14)23(21,22)20-15-5-3-4-13(12-15)17-6-1-2-11-19-17/h1-12,20H
Definition date:	2022-05-04
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	4-bromanyl-~{N}-(3-pyridin-2-ylphenyl)benzenesulfonamide

JSI

JSI
Name:	[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
Formula:	C14 H11 Br N3 O4 P S
SMILES:	O[P](O)(=O)C=Cc1cc(Br)ccc1Sc2c[nH]c3C(=O)NC=Nc23
InChi:	InChI=1S/C14H11BrN3O4PS/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19/h1-7,16H,(H,17,18,19)(H2,20,21,22)/b4-3+
Definition date:	2022-05-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid

JT3

JT3
Name:	[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
Formula:	C20 H11 F5 N3 O5 P S
SMILES:	O[P](O)(=O)C=Cc1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:	InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b5-4+
Definition date:	2022-05-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid

JTC

JTC
Name:	[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
Formula:	C20 H11 F5 N3 O5 P S
SMILES:	O[P](O)(=O)C=Cc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc3c[nH]c4C(=O)NC=Nc34
InChi:	InChI=1S/C20H11F5N3O5PS/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29/h1-7,26H,(H,27,28,29)(H2,30,31,32)/b4-3+
Definition date:	2022-05-09
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid

E7K

E7K
Name:	7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
Formula:	C27 H26 N6 S
SMILES:	Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1
InChi:	InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3
Definition date:	2021-12-03
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

GWC

GWC
Name:	2-chloranyl-5-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3cccc(F)c23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(10-6-8-11(22-2)9-7-10)15-14-12(18)4-3-5-13(14)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-5-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

GX5

GX5
Name:	2-chloranyl-N-(4-methoxyphenyl)-N-methyl-pyrido[3,2-d]pyrimidin-4-amine
Formula:	C15 H13 Cl N4 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3cccnc23
InChi:	InChI=1S/C15H13ClN4O/c1-20(10-5-7-11(21-2)8-6-10)14-13-12(4-3-9-17-13)18-15(16)19-14/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-pyrido[3,2-d]pyrimidin-4-amine

GXI

GXI
Name:	2-chloranyl-7-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3cc(F)ccc23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(18)9-14(13)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-7-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

GY2

GY2
Name:	2-chloranyl-6-fluoranyl-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
Formula:	C16 H13 Cl F N3 O
SMILES:	COc1ccc(cc1)N(C)c2nc(Cl)nc3ccc(F)cc23
InChi:	InChI=1S/C16H13ClFN3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(18)3-8-14(13)19-16(17)20-15/h3-9H,1-2H3
Definition date:	2022-05-18
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	2-chloranyl-6-fluoranyl-~{N}-(4-methoxyphenyl)-~{N}-methyl-quinazolin-4-amine

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