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SWV
SWV
Name:~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide
Formula:C17 H13 F N4 O3 S
SMILES:Fc1ccccc1N[S](=O)(=O)c2cccc(NC(=O)c3cnccn3)c2
InChi:InChI=1S/C17H13FN4O3S/c18-14-6-1-2-7-15(14)22-26(24,25)13-5-3-4-12(10-13)21-17(23)16-11-19-8-9-20-16/h1-11,22H,(H,21,23)
Definition date:2020-03-13
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[3-[(2-fluorophenyl)sulfamoyl]phenyl]pyrazine-2-carboxamide
UK7
UK7
Name:3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
Formula:C18 H19 N3 O S
SMILES:C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)ccc3
InChi:InChI=1S/C18H19N3OS/c19-10-12-4-5-15-16(11-21(6-7-22)17(15)8-12)13-2-1-3-14(9-13)18(20)23/h1-5,8-9,11,22H,6-7,10,19H2,(H2,20,23)
Definition date:2020-05-19
Last modified:2021-04-02
Release date:2021-04-07
Identifier:3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
U5J
U5J
Name:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
Formula:C13 H17 Hg N O6
SMILES:c1cc(C(=O)NCC(C[Hg]O)OC)c(cc1)OCC(O)=O
InChi:InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16
Definition date:2020-04-23
Last modified:2021-04-02
Release date:2021-04-07
Identifier:[(2R)-3-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-2-methoxypropyl](hydroxy)mercury
U61
U61
Name:2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol
Formula:C23 H23 F N6 O4
SMILES:c1c(ccc(c1)F)c2cn(nn2)CC3C(O)C(C(C(O3)CO)O)n4cc(nn4)c5ccccc5
InChi:InChI=1S/C23H23FN6O4/c24-16-8-6-15(7-9-16)17-10-29(27-25-17)12-19-22(32)21(23(33)20(13-31)34-19)30-11-18(26-28-30)14-4-2-1-3-5-14/h1-11,19-23,31-33H,12-13H2/t19-,20+,21+,22-,23-/m0/s1
Definition date:2020-04-23
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2,6-anhydro-1,4-dideoxy-1-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-L-manno-heptitol
UKZ
UKZ
Name:N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide
Formula:C21 H23 Cl N2 O3
SMILES:CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O)c3cccc(Cl)c3C
InChi:InChI=1S/C21H23ClN2O3/c1-3-6-18(20(26)13-7-4-9-16(22)12(13)2)24-21(27)14-8-5-10-17-15(14)11-19(25)23-17/h4-5,7-10,18,20,26H,3,6,11H2,1-2H3,(H,23,25)(H,24,27)/t18-,20+/m1/s1
Synonyms:~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
Definition date:2021-03-01
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
UL2
UL2
Name:N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide
Formula:C20 H22 N2 O4
SMILES:CCC[CH](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc3C
InChi:InChI=1S/C20H22N2O4/c1-3-6-15(18(23)14-8-5-4-7-12(14)2)21-19(24)13-9-10-17-16(11-13)22-20(25)26-17/h4-5,7-11,15,18,23H,3,6H2,1-2H3,(H,21,24)(H,22,25)/t15-,18+/m1/s1
Synonyms:~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide
Definition date:2021-03-01
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide
U7B
U7B
Name:2'-deoxy-2'2'-difluorodeoxycytidine
Formula:C9 H12 F2 N3 O7 P
SMILES:NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)C2(F)F
InChi:InChI=1S/C9H12F2N3O7P/c10-9(11)6(15)4(3-20-22(17,18)19)21-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
Synonyms:[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Definition date:2021-01-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:[(2~{R},3~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4,4-bis(fluoranyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
V0B
V0B
Name:N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
Formula:C18 H15 N5 O2
SMILES:Cc1ccc2nc(CNC(=O)C3=CC(=O)N4C=CC=CC4=N3)cn2c1
InChi:InChI=1S/C18H15N5O2/c1-12-5-6-15-20-13(11-22(15)10-12)9-19-18(25)14-8-17(24)23-7-3-2-4-16(23)21-14/h2-8,10-11H,9H2,1H3,(H,19,25)
Synonyms:~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
Definition date:2021-03-31
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxidanylidene-pyrido[1,2-a]pyrimidine-2-carboxamide
UME
UME
Name:N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide
Formula:C19 H21 N5 O
SMILES:CCNC(=O)c1cc(nc(c1)c2cn(C)nn2)[CH](C)c3ccccc3
InChi:InChI=1S/C19H21N5O/c1-4-20-19(25)15-10-16(13(2)14-8-6-5-7-9-14)21-17(11-15)18-12-24(3)23-22-18/h5-13H,4H2,1-3H3,(H,20,25)/t13-/m0/s1
Synonyms:~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide
Definition date:2021-03-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-ethyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(1-phenylethyl)pyridine-4-carboxamide
SZG
SZG
Name:~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
Formula:C20 H13 Cl F4 N2 O4 S
SMILES:FC(F)Oc1ccc(N[S](=O)(=O)c2ccc(Cl)c(NC(=O)c3cc(F)cc(F)c3)c2)cc1
InChi:InChI=1S/C20H13ClF4N2O4S/c21-17-6-5-16(10-18(17)26-19(28)11-7-12(22)9-13(23)8-11)32(29,30)27-14-1-3-15(4-2-14)31-20(24)25/h1-10,20,27H,(H,26,28)
Definition date:2020-03-13
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[5-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]-2-chloranyl-phenyl]-3,5-bis(fluoranyl)benzamide
SZJ
SZJ
Name:~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
Formula:C20 H14 F4 N2 O4 S
SMILES:FC(F)Oc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)cc1
InChi:InChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27)
Definition date:2020-03-13
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[3-[[4-[bis(fluoranyl)methoxy]phenyl]sulfamoyl]phenyl]-3,5-bis(fluoranyl)benzamide
SZP
SZP
Name:N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
Formula:C20 H12 Cl F5 N2 O4 S
SMILES:N(S(c1cc(c(Cl)cc1)NC(=O)c2cc(cc(c2)F)F)(=O)=O)c3ccc(cc3)OC(F)(F)F
InChi:InChI=1S/C20H12ClF5N2O4S/c21-17-6-5-16(10-18(17)27-19(29)11-7-12(22)9-13(23)8-11)33(30,31)28-14-1-3-15(4-2-14)32-20(24,25)26/h1-10,28H,(H,27,29)
Definition date:2020-03-13
Last modified:2021-04-02
Release date:2021-04-07
Identifier:N-(2-chloro-5-{[4-(trifluoromethoxy)phenyl]sulfamoyl}phenyl)-3,5-difluorobenzamide
U8Q
U8Q
Name:4-[4-(trifluoromethyl)phenoxy]piperidine
Formula:C12 H14 F3 N O
SMILES:FC(F)(F)c1ccc(OC2CCNCC2)cc1
InChi:InChI=1S/C12H14F3NO/c13-12(14,15)9-1-3-10(4-2-9)17-11-5-7-16-8-6-11/h1-4,11,16H,5-8H2
Definition date:2021-02-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[4-(trifluoromethyl)phenoxy]piperidine
U8T
U8T
Name:6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one
Formula:C13 H14 Br N O2
SMILES:Brc1ccc2OC3(CCNCC3)CC(=O)c2c1
InChi:InChI=1S/C13H14BrNO2/c14-9-1-2-12-10(7-9)11(16)8-13(17-12)3-5-15-6-4-13/h1-2,7,15H,3-6,8H2
Definition date:2021-02-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one
UO2
UO2
Name:(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide
Formula:C18 H21 N5 O3 S
SMILES:C[CH](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1
InChi:InChI=1S/C18H21N5O3S/c1-11(19)18(24)20-13-7-8-16-15(10-13)17(22-21-16)12-5-4-6-14(9-12)27(25,26)23(2)3/h4-11H,19H2,1-3H3,(H,20,24)(H,21,22)/t11-/m0/s1
Definition date:2021-03-02
Last modified:2021-04-02
Release date:2021-04-07
Identifier:(2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide
U9B
U9B
Name:(1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
Formula:C16 H27 N2 O4 P
SMILES:[NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2ccccc2)C(O)=O
InChi:InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/p+2/t16-/m0/s1
Synonyms:4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
Definition date:2021-02-04
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
U9K
U9K
Name:(1R,3S)-3-(4-ammoniobutyl)-1-(4-fluoro-2-(1-methyl-1H-imidazol-5-yl)benzyl)-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide
Formula:C20 H30 F N4 O4 P
SMILES:Cn1cncc1c2cc(F)ccc2C[NH+]3CC[P](O)(=O)[C](CCCC[NH3+])(C3)C(O)=O
InChi:InChI=1S/C20H28FN4O4P/c1-24-14-23-11-18(24)17-10-16(21)5-4-15(17)12-25-8-9-30(28,29)20(13-25,19(26)27)6-2-3-7-22/h4-5,10-11,14H,2-3,6-9,12-13,22H2,1H3,(H,26,27)(H,28,29)/p+2/t20-/m0/s1
Synonyms:4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
Definition date:2021-02-07
Last modified:2021-04-02
Release date:2021-04-07
Identifier:4-[(1~{R},3~{S})-3-carboxy-1-[[4-fluoranyl-2-(3-methylimidazol-4-yl)phenyl]methyl]-4-oxidanyl-4-oxidanylidene-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium
Q9Q
Q9Q
Name:4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)benzyl-a-L-thiofucoside
Formula:C24 H37 N3 O9 S
SMILES:C[CH]1O[CH](SCc2ccc(OCc3cn(CCOCCOCCOCCO)nn3)cc2)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C24H37N3O9S/c1-17-21(29)22(30)23(31)24(36-17)37-16-18-2-4-20(5-3-18)35-15-19-14-27(26-25-19)6-8-32-10-12-34-13-11-33-9-7-28/h2-5,14,17,21-24,28-31H,6-13,15-16H2,1H3/t17-,21+,22+,23-,24-/m0/s1
Synonyms:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]p henyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol
Definition date:2020-05-28
Last modified:2021-04-02
Release date:2021-04-07
Identifier:(2~{S},3~{S},4~{R},5~{S},6~{S})-2-[[4-[[1-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methoxy]phenyl]methylsulfanyl]-6-methyl-oxane-3,4,5-triol
OPW
OPW
Name:~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
Formula:C15 H13 N3 O2 S
SMILES:COc1ccc2sc(nc2c1)c3cncc(NC(C)=O)c3
InChi:InChI=1S/C15H13N3O2S/c1-9(19)17-11-5-10(7-16-8-11)15-18-13-6-12(20-2)3-4-14(13)21-15/h3-8H,1-2H3,(H,17,19)
Definition date:2020-03-26
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{N}-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]ethanamide
OQT
OQT
Name:2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:C16 H13 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc3ccccc23
InChi:InChI=1S/C16H13F3N2O2S/c17-11-8-12(18)15(16(14(11)19)24(20,22)23)21-13-7-3-5-9-4-1-2-6-10(9)13/h1-4,6-8,13,21H,5H2,(H2,20,22,23)/t13-/m0/s1
Synonyms:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:2020-03-30
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
OQW
OQW
Name:2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
Formula:C14 H19 F3 N2 O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
InChi:InChI=1S/C14H19F3N2O2S/c15-10-8-11(16)13(14(12(10)17)22(18,20)21)19-9-6-4-2-1-3-5-7-9/h8-9,19H,1-7H2,(H2,18,20,21)
Synonyms:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
Definition date:2020-03-30
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
QEE
QEE
Name:~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
Formula:C15 H16 N6 O3
SMILES:CC(C)(C)OC(=O)c1ccc(nc1)n2ncc(n3ccnn3)c2O
InChi:InChI=1S/C15H16N6O3/c1-15(2,3)24-14(23)10-4-5-12(16-8-10)21-13(22)11(9-18-21)20-7-6-17-19-20/h4-9,22H,1-3H3
Synonyms:tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate
Definition date:2020-06-10
Last modified:2021-04-02
Release date:2021-04-07
Identifier:~{tert}-butyl 6-[5-oxidanyl-4-(1,2,3-triazol-1-yl)pyrazol-1-yl]pyridine-3-carboxylate
QEQ
QEQ
Name:2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
Formula:C13 H14 N8 O2
SMILES:Oc1n(ncc1n2ccnn2)c3cc(ncn3)N4CCOCC4
InChi:InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,22H,3-6H2
Synonyms:1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol
Definition date:2020-06-10
Last modified:2021-04-02
Release date:2021-04-07
Identifier:2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol
LXH
LXH
Name:methyl (2~{S})-2-phenylpropanoate
Formula:C10 H12 O2
SMILES:COC(=O)[CH](C)c1ccccc1
InChi:InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m0/s1
Definition date:2019-09-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:methyl (2~{S})-2-phenylpropanoate
LY8
LY8
Name:methyl (2~{R})-2-phenylpropanoate
Formula:C10 H12 O2
SMILES:COC(=O)[CH](C)c1ccccc1
InChi:InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3/t8-/m1/s1
Definition date:2019-09-27
Last modified:2021-04-02
Release date:2021-04-07
Identifier:methyl (2~{R})-2-phenylpropanoate

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