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SJX

SJX
Name:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
Formula:	C24 H25 Cl N6 O
SMILES:	CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccc(cc3Cl)c4cccc(C)n4
InChi:	InChI=1S/C24H25ClN6O/c1-15-6-5-7-21(29-15)16-8-9-18(20(25)13-16)19-12-17-14-28-24(27-2)30-22(17)31(23(19)32)11-4-3-10-26/h5-9,12-14H,3-4,10-11,26H2,1-2H3,(H,27,28,30)
Definition date:	2022-12-15
Last modified:	2023-05-15
Release date:	2023-01-18
Identifier:	8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

TWI

TWI
Name:	(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
Formula:	C21 H18 Cl F3 N4 O2
SMILES:	CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5Cl)ccc14
InChi:	InChI=1S/C21H18ClF3N4O2/c1-29-14-5-4-11(27-13-6-7-26-19(23)15(13)22)8-12(14)16-17(20(29)30)31-9-21(24,25)18(28-16)10-2-3-10/h4-8,10,18,28H,2-3,9H2,1H3,(H,26,27)/t18-/m0/s1
Definition date:	2023-01-13
Last modified:	2023-05-15
Release date:	2023-04-26
Identifier:	(2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one

SZU

SZU
Name:	2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
Formula:	C21 H21 F N6 O2
SMILES:	Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2
InChi:	InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27)
Definition date:	2022-12-20
Last modified:	2023-05-15
Release date:	2023-03-22
Identifier:	2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide

S6F

S6F
Name:	~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide
Formula:	C11 H12 Cl N O2
SMILES:	CC(=O)N[CH](Cc1ccccc1Cl)C=O
InChi:	InChI=1S/C11H12ClNO2/c1-8(15)13-10(7-14)6-9-4-2-3-5-11(9)12/h2-5,7,10H,6H2,1H3,(H,13,15)/t10-/m0/s1
Definition date:	2022-12-13
Last modified:	2023-05-15
Release date:	2022-12-21
Identifier:	~{N}-[(2~{S})-1-(2-chlorophenyl)-3-oxidanylidene-propan-2-yl]ethanamide

T6O

T6O
Name:	aztreonam
Formula:	C13 H17 N5 O8 S2
SMILES:	C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1[S](O)(=O)=O
InChi:	InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m1/s1
Synonyms:	2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid
Definition date:	2022-12-21
Last modified:	2023-05-15
Release date:	2023-03-08
Identifier:	2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid

ZJ3

ZJ3
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate
Formula:	C25 H26 F3 N5 O16 P2
SMILES:	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)(F)F)C(O)C2O)C(O)C1O
InChi:	InChI=1S/C25H26F3N5O16P2/c26-25(27,28)11-4-15(34)46-12-3-9(1-2-10(11)12)45-24-20(38)18(36)14(48-24)6-44-51(41,42)49-50(39,40)43-5-13-17(35)19(37)23(47-13)33-8-32-16-21(29)30-7-31-22(16)33/h1-4,7-8,13-14,17-20,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H2,29,30,31)/t13-,14-,17-,18-,19-,20-,23-,24+/m1/s1
Definition date:	2023-03-14
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)

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

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

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

ZY8

ZY8
Name:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol
Formula:	C26 H25 N O4
SMILES:	OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54
InChi:	InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
Definition date:	2023-04-17
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol

JQO

JQO
Name:	(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide
Formula:	C17 H27 F N2 O4 S
SMILES:	CC(C)C[CH](CO)NC(=O)[CH](N[S](=O)(=O)c1ccc(F)cc1)C(C)C
InChi:	InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
Definition date:	2022-05-07
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	(2~{S})-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-~{N}-[(2~{S})-4-methyl-1-oxidanyl-pentan-2-yl]butanamide

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

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

8DI

8DI
Name:	N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
Formula:	C17 H16 F N3 O2 S
SMILES:	Fc1ccccc1[S](=O)(=O)Nc2ccc3[nH]c(nc3c2)C4CCC4
InChi:	InChI=1S/C17H16FN3O2S/c18-13-6-1-2-7-16(13)24(22,23)21-12-8-9-14-15(10-12)20-17(19-14)11-4-3-5-11/h1-2,6-11,21H,3-5H2,(H,19,20)
Synonyms:	N-(2-cyclobutyl-1H-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide
Definition date:	2021-10-08
Last modified:	2023-05-12
Release date:	2023-05-17
Identifier:	~{N}-(2-cyclobutyl-1~{H}-benzimidazol-5-yl)-2-fluoranyl-benzenesulfonamide

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

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