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NWP
NWP
Name:(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
Formula:C9 H20 N2 O3 S
SMILES:N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1
InChi:InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
NWV
NWV
Name:N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
Formula:C10 H11 N3 O2
SMILES:N(Cc1cn(C)nc1)C(=O)c2ccco2
InChi:InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
NWY
NWY
Name:N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
Formula:C12 H16 N2 O
SMILES:n2c(C)ccc(CNC(=O)C1CCC1)c2
InChi:InChI=1S/C12H16N2O/c1-9-5-6-10(7-13-9)8-14-12(15)11-3-2-4-11/h5-7,11H,2-4,8H2,1H3,(H,14,15)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
NX7
NX7
Name:(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
Formula:C11 H11 F2 N O
SMILES:c1(cccc(c1C(=O)N2CCCC2)F)F
InChi:InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
XL5
XL5
Name:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
Formula:C22 H21 Cl2 F N4 O4
SMILES:c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC
InChi:InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29)
Definition date:2017-11-05
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
XL6
XL6
Name:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
Formula:C23 H24 Cl2 N4 O4
SMILES:c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C
InChi:InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29)
Definition date:2017-10-28
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
XL7
XL7
Name:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
Formula:C22 H20 Cl3 F N4 O4
SMILES:c1(cc(c(c(c1Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cc(cc3Cl)F)Cl)OC)OC
InChi:InChI=1S/C22H20Cl3FN4O4/c1-4-18(31)29-15-6-11(26)5-14(23)21(15)30-22-27-8-12(9-28-22)34-10-13-19(24)16(32-2)7-17(33-3)20(13)25/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
Definition date:2017-11-05
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide
XL8
XL8
Name:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
Formula:C22 H20 Cl4 N4 O4
SMILES:c1(c(Cl)c(c(c(c1)OC)Cl)COc3cnc(Nc2c(cc(cc2NC(CC)=O)Cl)Cl)nc3)OC
InChi:InChI=1S/C22H20Cl4N4O4/c1-4-18(31)29-15-6-11(23)5-14(24)21(15)30-22-27-8-12(9-28-22)34-10-13-19(25)16(32-2)7-17(33-3)20(13)26/h5-9H,4,10H2,1-3H3,(H,29,31)(H,27,28,30)
Definition date:2017-11-05
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
XL9
XL9
Name:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
Formula:C24 H26 Cl2 N4 O4
SMILES:c4(c(Cl)c(c1ccc3c(c1)cnc(NC2COCCC2NC(CC)=O)n3)c(c(c4)OC)Cl)OC
InChi:InChI=1S/C24H26Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h5-6,9-11,16-17H,4,7-8,12H2,1-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1
Definition date:2017-11-05
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
NXJ
NXJ
Name:(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:C12 H16 N2 O
SMILES:n2cccc(N(C)C(=O)C1C(C1)(C)C)c2
InChi:InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
NXM
NXM
Name:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
Formula:C11 H17 N3 O
SMILES:n2c(CC1CCNCC1)onc2C3CC3
InChi:InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
NXS
NXS
Name:[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
Formula:C10 H15 N3 O
SMILES:N2(c1ncccn1)CCC(CC2)CO
InChi:InChI=1S/C10H15N3O/c14-8-9-2-6-13(7-3-9)10-11-4-1-5-12-10/h1,4-5,9,14H,2-3,6-8H2
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:[1-(pyrimidin-2-yl)piperidin-4-yl]methanol
NY4
NY4
Name:N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:C12 H16 N2 O
SMILES:NC(C)c1ccc(cc1)NC(=O)C2CC2
InChi:InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
NY7
NY7
Name:N-(2-methoxy-5-methylphenyl)glycinamide
Formula:C10 H14 N2 O2
SMILES:N(c1cc(ccc1OC)C)C(CN)=O
InChi:InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-(2-methoxy-5-methylphenyl)glycinamide
NK4
NK4
Name:(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
Formula:C39 H67 N5 O12
SMILES:C1(CN)C(C(O)C(O1)OC(C2N(CC(CCCCCCCCCCCCCCCCC)C(C(O)=O)N(C)C2=O)C)C4C(C(C(N3C(NC(C=C3)=O)=O)O4)O)O)O
InChi:InChI=1S/C39H67N5O12/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-23-42(2)28(35(50)43(3)27(24)37(51)52)33(56-38-32(49)29(46)25(22-40)54-38)34-30(47)31(48)36(55-34)44-21-20-26(45)41-39(44)53/h20-21,24-25,27-34,36,38,46-49H,4-19,22-23,40H2,1-3H3,(H,51,52)(H,41,45,53)/t24-,25+,27-,28-,29+,30-,31+,32+,33-,34-,36+,38-/m0/s1
Definition date:2019-05-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(5S)-5'-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)-5'-C-[(2S,5S,6S)-5-carboxy-6-heptadecyl-1,4-dimethyl-3-oxo-1,4-diazepan-2-yl]uridine
NYV
NYV
Name:1-(propan-2-yl)-1H-imidazole-4-sulfonamide
Formula:C6 H11 N3 O2 S
SMILES:n1(cnc(S(N)(=O)=O)c1)C(C)C
InChi:InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:1-(propan-2-yl)-1H-imidazole-4-sulfonamide
NKD
NKD
Name:(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Formula:C38 H48 N8 O13 S
SMILES:CSCC[CH](NC(=O)N[CH](Cc1cccc(O)c1)C(O)=O)C(=O)N[CH]([CH](C)N(C)C(=O)[CH](N)Cc2cccc(O)c2)C(=O)NC=C3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O
InChi:InChI=1S/C38H48N8O13S/c1-19(45(2)34(54)24(39)16-20-6-4-8-22(47)14-20)29(33(53)40-18-27-30(50)31(51)35(59-27)46-12-10-28(49)43-38(46)58)44-32(52)25(11-13-60-3)41-37(57)42-26(36(55)56)17-21-7-5-9-23(48)15-21/h4-10,12,14-15,18-19,24-26,29-31,35,47-48,50-51H,11,13,16-17,39H2,1-3H3,(H,40,53)(H,44,52)(H,55,56)(H2,41,42,57)(H,43,49,58)/b27-18-/t19-,24-,25-,26-,29-,30+,31+,35+/m0/s1
Definition date:2019-05-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2~{S})-2-[[(2~{S})-1-[[(2~{S},3~{S})-3-[[(2~{S})-2-azanyl-3-(3-hydroxyphenyl)propanoyl]-methyl-amino]-1-[[(~{Z})-[(3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-ylidene]methyl]amino]-1-oxidanylidene-butan-2-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
NZ1
NZ1
Name:5-methoxy-1,3-benzothiazol-2-amine
Formula:C8 H8 N2 O S
SMILES:Nc2sc1ccc(cc1n2)OC
InChi:InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:5-methoxy-1,3-benzothiazol-2-amine
NZ4
NZ4
Name:N-(3-acetylphenyl)morpholine-4-carboxamide
Formula:C13 H16 N2 O3
SMILES:N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
InChi:InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-(3-acetylphenyl)morpholine-4-carboxamide
NKM
NKM
Name:(2~{S},3~{S},4~{S})-2-[(1~{R})-2-azanyl-1-[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methoxy-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-ethoxy]-3,4-bis(oxidanyl)-~{N}-[(3~{S})-2-oxidanylideneazepan-3-yl]-3,4-dihydro-2~{H}-pyran-6-carboxamide
Formula:C23 H31 N5 O12
SMILES:C1(OC(=CC(O)C1O)C(=O)NC2CCCCNC2=O)OC(C4C(C(C(N3C=CC(=O)NC3=O)O4)O)OC)C(=O)N
InChi:InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
Definition date:2019-05-16
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2S,3S,4S)-2-{(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-3-methoxytetrahydrofuran-2-yl]-2-oxoethoxy}-3,4-dihydroxy-N-[(3S)-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide (non-preferred name)
NZ7
NZ7
Name:(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:C10 H18 N2 O3
SMILES:N(C)(C)C(N2CCOCC21COCC1)=O
InChi:InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
NZG
NZG
Name:3-(acetylamino)-4-fluorobenzoic acid
Formula:C9 H8 F N O3
SMILES:N(C(C)=O)c1cc(C(O)=O)ccc1F
InChi:InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:3-(acetylamino)-4-fluorobenzoic acid
NZJ
NZJ
Name:1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
Formula:C14 H18 N2 O2
SMILES:N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O
InChi:InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
QW9
QW9
Name:[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
Formula:C22 H21 N3 O4
SMILES:c1(c(c(OC)cc(c1)C(=O)c2cnc(n2)c4c3c(cccc3nc4)C)OC)OC
InChi:InChI=1S/C22H21N3O4/c1-12-6-5-7-15-19(12)14(10-23-15)22-24-11-16(25-22)20(26)13-8-17(27-2)21(29-4)18(9-13)28-3/h5-11,23H,1-4H3,(H,24,25)
Definition date:2018-01-17
Last modified:2019-07-05
Release date:2019-07-10
Identifier:[2-(4-methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
L77
L77
Name:2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide
Formula:C22 H15 Cl F4 N2 O3 S
SMILES:N(C(=O)c1c(cccc1Cl)F)c2cc3N(CCc3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F
InChi:InChI=1S/C22H15ClF4N2O3S/c23-17-5-2-6-18(24)20(17)21(30)28-15-8-7-13-9-10-29(19(13)12-15)33(31,32)16-4-1-3-14(11-16)22(25,26)27/h1-8,11-12H,9-10H2,(H,28,30)
Definition date:2019-02-07
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide

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數據於2024-07-31公開中

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