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F7N
F7N
Name:[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
Formula:C24 H35 F3 N3 O3
SMILES:CO[CH]1COCC[CH]1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4ncc(cc4C3)C(F)(F)F
InChi:InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/p+1/t18-,20+,21-,23+/m1/s1
Definition date:2018-06-07
Last modified:2018-12-28
Release date:2019-01-02
Identifier:[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
EFL
EFL
Name:5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
Formula:C17 H17 Br N2 O5 S
SMILES:COc1c(cc(cc1)Br)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3)(=O)=O
InChi:InChI=1S/C17H17BrN2O5S/c1-17(2)16(21)19-12-6-5-11(9-14(12)25-17)20-26(22,23)15-8-10(18)4-7-13(15)24-3/h4-9,20H,1-3H3,(H,19,21)
Definition date:2018-01-05
Last modified:2018-12-28
Release date:2019-01-02
Identifier:5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
EFM
EFM
Name:5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide
Formula:C18 H19 Br N2 O6 S
SMILES:COc2cc1NC(=O)C(Oc1cc2NS(=O)(c3cc(Br)ccc3OC)=O)(C)C
InChi:InChI=1S/C18H19BrN2O6S/c1-18(2)17(22)20-11-8-14(26-4)12(9-15(11)27-18)21-28(23,24)16-7-10(19)5-6-13(16)25-3/h5-9,21H,1-4H3,(H,20,22)
Definition date:2018-01-05
Last modified:2018-12-28
Release date:2019-01-02
Identifier:5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide
EFN
EFN
Name:5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
Formula:C17 H17 Br N2 O6 S
SMILES:COc1c(cc(cc1)Br)S(Nc3cc2OC(C)(C)C(=O)Nc2cc3O)(=O)=O
InChi:InChI=1S/C17H17BrN2O6S/c1-17(2)16(22)19-11-7-12(21)10(8-14(11)26-17)20-27(23,24)15-6-9(18)4-5-13(15)25-3/h4-8,20-21H,1-3H3,(H,19,22)
Definition date:2018-01-05
Last modified:2018-12-28
Release date:2019-01-02
Identifier:5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide
GEY
GEY
Name:(2Z)-dodec-2-enoic acid
Formula:C12 H22 O2
SMILES:C(C=C/CCCCCCCCC)(O)=O
InChi:InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10-
Definition date:2018-05-18
Last modified:2018-12-28
Release date:2019-01-02
Identifier:(2Z)-dodec-2-enoic acid
KKG
KKG
Name:(4-oxoquinazolin-3(4H)-yl)acetic acid
Formula:C10 H8 N2 O3
SMILES:C(CN1C=Nc2c(C1=O)cccc2)(O)=O
InChi:InChI=1S/C10H8N2O3/c13-9(14)5-12-6-11-8-4-2-1-3-7(8)10(12)15/h1-4,6H,5H2,(H,13,14)
Definition date:2018-12-21
Last modified:2018-12-28
Release date:2019-01-02
Identifier:(4-oxoquinazolin-3(4H)-yl)acetic acid
H0Z
H0Z
Name:bicuculline methochloride
Formula:C20 H17 N O6
SMILES:CN1CCc2cc3OCOc3cc2[CH]1[CH]4OC(=O)c5c6OCOc6ccc45
InChi:InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Definition date:2018-11-01
Last modified:2018-12-28
Release date:2019-01-02
Identifier:(6~{R})-6-[(5~{S})-6-methyl-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6~{H}-furo[3,4-g][1,3]benzodioxol-8-one
95U
95U
Name:N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
Formula:C17 H15 N3 O
SMILES:O=C(C=C)Nc3cc(c1c2c(nn1)cc(cc2)C)ccc3
InChi:InChI=1S/C17H15N3O/c1-3-16(21)18-13-6-4-5-12(10-13)17-14-8-7-11(2)9-15(14)19-20-17/h3-10H,1H2,2H3,(H,18,21)(H,19,20)
Definition date:2017-12-28
Last modified:2018-12-28
Release date:2019-01-02
Identifier:N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide
9J0
9J0
Name:3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
Formula:C24 H24 N8 O
SMILES:O=C(N)c1cc(C)c(cc1)n2nc(C(C)C)c3c2nccc3n4cnc(c4)c5cnn(c5)C
InChi:InChI=1S/C24H24N8O/c1-14(2)22-21-20(31-12-18(27-13-31)17-10-28-30(4)11-17)7-8-26-24(21)32(29-22)19-6-5-16(23(25)33)9-15(19)3/h5-14H,1-4H3,(H2,25,33)
Definition date:2018-05-02
Last modified:2018-12-28
Release date:2019-01-02
Identifier:3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CW5
CW5
Name:1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
Formula:C20 H21 Cl2 N7 O3
SMILES:CO[CH](C)c1n2nc(Cl)cc2ncc1NC(=O)Nc3cnc(c(Cl)c3)C(=O)N4CCCC4
InChi:InChI=1S/C20H21Cl2N7O3/c1-11(32-2)18-14(10-23-16-8-15(22)27-29(16)18)26-20(31)25-12-7-13(21)17(24-9-12)19(30)28-5-3-4-6-28/h7-11H,3-6H2,1-2H3,(H2,25,26,31)/t11-/m0/s1
Definition date:2017-12-09
Last modified:2018-12-28
Release date:2019-01-02
Identifier:1-[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloranyl-6-pyrrolidin-1-ylcarbonyl-pyridin-3-yl)urea
IEP
IEP
Name:[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
Formula:C47 H85 O19 P3
SMILES:CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
InChi:InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17+,24-22+,30-28+/t39-,42+,43-,44-,45+,46-,47-/m0/s1
Definition date:2018-04-19
Last modified:2018-12-28
Release date:2019-01-02
Identifier:[(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate
F0H
F0H
Name:[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Formula:C35 H34 Cl F N6 O4
SMILES:OC[CH](N1C=CC(=CC1=O)c2ccnc(Nc3ccnc(c3)C#CCCNC(=O)O[CH]4CCCC=CCC4)n2)c5ccc(Cl)c(F)c5
InChi:InChI=1S/C35H34ClFN6O4/c36-29-12-11-25(20-30(29)37)32(23-44)43-19-15-24(21-33(43)45)31-14-18-39-34(42-31)41-27-13-17-38-26(22-27)8-6-7-16-40-35(46)47-28-9-4-2-1-3-5-10-28/h1-2,11-15,17-22,28,32,44H,3-5,7,9-10,16,23H2,(H,40,46)(H,38,39,41,42)/b2-1-/t28-,32+/m0/s1
Definition date:2018-05-16
Last modified:2018-12-28
Release date:2019-01-02
Identifier:[(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
F44
F44
Name:2,2'-(propane-1,3-diyl)dipyridine
Formula:C13 H14 N2
SMILES:c1cccnc1CCCc2ccccn2
InChi:InChI=1S/C13H14N2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h1-4,6-7,10-11H,5,8-9H2
Definition date:2018-02-27
Last modified:2018-12-28
Release date:2019-01-02
Identifier:2,2'-(propane-1,3-diyl)dipyridine
HKK
HKK
Name:~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
Formula:C11 H13 Cl N2 O3 S
SMILES:C[S](=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2
InChi:InChI=1S/C11H13ClN2O3S/c1-18(15,16)14-10-6-9(7-13-11(10)12)8-2-4-17-5-3-8/h2,6-7,14H,3-5H2,1H3
Definition date:2018-12-12
Last modified:2018-12-21
Release date:2018-12-26
Identifier:~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide
HKN
HKN
Name:~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
Formula:C22 H24 N4 O4 S
SMILES:COc1ncc(cc1N[S](=O)(=O)c2cn(Cc3ccccc3)c(C)n2)C4=CCOCC4
InChi:InChI=1S/C22H24N4O4S/c1-16-24-21(15-26(16)14-17-6-4-3-5-7-17)31(27,28)25-20-12-19(13-23-22(20)29-2)18-8-10-30-11-9-18/h3-8,12-13,15,25H,9-11,14H2,1-2H3
Definition date:2018-12-12
Last modified:2018-12-21
Release date:2018-12-26
Identifier:~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide
HKQ
HKQ
Name:~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
Formula:C17 H13 Cl N2 O2 S
SMILES:Clc1ncc(cc1N[S](=O)(=O)c2ccccc2)c3ccccc3
InChi:InChI=1S/C17H13ClN2O2S/c18-17-16(20-23(21,22)15-9-5-2-6-10-15)11-14(12-19-17)13-7-3-1-4-8-13/h1-12,20H
Definition date:2018-12-13
Last modified:2018-12-21
Release date:2018-12-26
Identifier:~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide
G9Z
G9Z
Name:agropinic acid
Formula:C11 H17 N O8
SMILES:OC[CH](O)[CH](O)[CH](O)[CH](O)CN1[CH](C=CC1=O)C(O)=O
InChi:InChI=1S/C11H17NO8/c13-4-7(15)10(18)9(17)6(14)3-12-5(11(19)20)1-2-8(12)16/h1-2,5-7,9-10,13-15,17-18H,3-4H2,(H,19,20)/t5-,6+,7+,9+,10+/m0/s1
Definition date:2018-09-11
Last modified:2018-12-21
Release date:2018-12-26
Identifier:(2~{S})-5-oxidanylidene-1-[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]-2~{H}-pyrrole-2-carboxylic acid
9ZF
9ZF
Name:1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea
Formula:C17 H19 F3 N2 O
SMILES:C3(NC(Nc1c(F)c(c(F)cc1)F)=O)C2CC4CC(C2)CC3C4
InChi:InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-17(23)22-16-10-4-8-3-9(6-10)7-11(16)5-8/h1-2,8-11,16H,3-7H2,(H2,21,22,23)/t8-,9+,10-,11+,16-
Definition date:2018-09-07
Last modified:2018-12-21
Release date:2018-12-26
Identifier:N-[(1R,3S,5r,7r)-tricyclo[3.3.1.1~3,7~]decan-2-yl]-N'-(2,3,4-trifluorophenyl)urea
J0Y
J0Y
Name:(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
Formula:C17 H11 F7 N2 O3
SMILES:FC(F)(F)C(F)C(=O)NC(C(=O)NO)c1ccc(cc1)c2cc(F)c(c(c2)F)F
InChi:InChI=1S/C17H11F7N2O3/c18-10-5-9(6-11(19)12(10)20)7-1-3-8(4-2-7)13(15(27)26-29)25-16(28)14(21)17(22,23)24/h1-6,13-14,29H,(H,25,28)(H,26,27)/t13-,14-/m1/s1
Definition date:2018-08-03
Last modified:2018-12-21
Release date:2018-12-26
Identifier:(2R)-2,3,3,3-tetrafluoro-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]propanamide
J1G
J1G
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
Formula:C20 H19 F3 N2 O3
SMILES:N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(=O)C3CCCC3
InChi:InChI=1S/C20H19F3N2O3/c21-15-9-14(10-16(22)17(15)23)11-5-7-12(8-6-11)18(20(27)25-28)24-19(26)13-3-1-2-4-13/h5-10,13,18,28H,1-4H2,(H,24,26)(H,25,27)/t18-/m1/s1
Definition date:2018-08-03
Last modified:2018-12-21
Release date:2018-12-26
Identifier:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclopentanecarboxamide
J1V
J1V
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
Formula:C21 H21 F3 N2 O3
SMILES:C1C(CCCC1)C(NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO)=O
InChi:InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)18(16)24)12-6-8-13(9-7-12)19(21(28)26-29)25-20(27)14-4-2-1-3-5-14/h6-11,14,19,29H,1-5H2,(H,25,27)(H,26,28)/t19-/m1/s1
Definition date:2018-08-03
Last modified:2018-12-21
Release date:2018-12-26
Identifier:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide
J2D
J2D
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
Formula:C20 H19 F3 N2 O4
SMILES:C1COCCC1C(=O)NC(C(=O)NO)c2ccc(cc2)c3cc(F)c(c(c3)F)F
InChi:InChI=1S/C20H19F3N2O4/c21-15-9-14(10-16(22)17(15)23)11-1-3-12(4-2-11)18(20(27)25-28)24-19(26)13-5-7-29-8-6-13/h1-4,9-10,13,18,28H,5-8H2,(H,24,26)(H,25,27)/t18-/m1/s1
Definition date:2018-08-03
Last modified:2018-12-21
Release date:2018-12-26
Identifier:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
J4P
J4P
Name:(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:C21 H21 F3 N2 O3
SMILES:N(C(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)C(CC3CCCC3)=O
InChi:InChI=1S/C21H21F3N2O3/c22-16-10-15(11-17(23)19(16)24)13-5-7-14(8-6-13)20(21(28)26-29)25-18(27)9-12-3-1-2-4-12/h5-8,10-12,20,29H,1-4,9H2,(H,25,27)(H,26,28)/t20-/m1/s1
Definition date:2018-08-13
Last modified:2018-12-21
Release date:2018-12-26
Identifier:(2R)-2-[(cyclopentylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
J4S
J4S
Name:(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:C19 H17 F3 N2 O3
SMILES:N(C(C(=O)NO)c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(CC3CC3)=O
InChi:InChI=1S/C19H17F3N2O3/c20-14-8-13(9-15(21)17(14)22)11-3-5-12(6-4-11)18(19(26)24-27)23-16(25)7-10-1-2-10/h3-6,8-10,18,27H,1-2,7H2,(H,23,25)(H,24,26)/t18-/m1/s1
Definition date:2018-08-13
Last modified:2018-12-21
Release date:2018-12-26
Identifier:(2R)-2-[(cyclopropylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
J4V
J4V
Name:(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide
Formula:C25 H25 F3 N2 O3
SMILES:C1C3CC2CC(CC1C2)C3C(NC(c4ccc(cc4)c5cc(F)c(F)c(F)c5)C(=O)NO)=O
InChi:InChI=1S/C25H25F3N2O3/c26-19-10-16(11-20(27)22(19)28)14-1-3-15(4-2-14)23(25(32)30-33)29-24(31)21-17-6-12-5-13(8-17)9-18(21)7-12/h1-4,10-13,17-18,21,23,33H,5-9H2,(H,29,31)(H,30,32)/t12-,13+,17-,18+,21-,23-/m1/s1
Definition date:2018-08-13
Last modified:2018-12-21
Release date:2018-12-26
Identifier:(1R,2r,3S,5R,7R)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]tricyclo[3.3.1.1~3,7~]decane-2-carboxamide

224004

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