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IHQ
IHQ
表記:2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
組成式:C16 H20 I N O2
SMILES:CCCCCCCC1=C(I)C(=O)c2ccccc2N1O
InChi:InChI=1S/C16H20INO2/c1-2-3-4-5-6-11-14-15(17)16(19)12-9-7-8-10-13(12)18(14)20/h7-10,20H,2-6,11H2,1H3
定義日:2019-09-06
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
ZI1
ZI1
表記:3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
組成式:C19 H12 Br F5 N2 O3
SMILES:C[CH](Oc1ccc(F)c(C(N)=O)c1F)c2oc(Br)c(n2)c3ccc(cc3)C(F)(F)F
InChi:InChI=1S/C19H12BrF5N2O3/c1-8(29-12-7-6-11(21)13(14(12)22)17(26)28)18-27-15(16(20)30-18)9-2-4-10(5-3-9)19(23,24)25/h2-8H,1H3,(H2,26,28)/t8-/m1/s1
定義日:2019-09-10
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[(1~{R})-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
L0J
L0J
表記:N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
組成式:C14 H22 N4 O4 S
SMILES:C1CN(CCC1NC(=O)c3cc(C2CC2)on3)S(CCN)(=O)=O
InChi:InChI=1S/C14H22N4O4S/c15-5-8-23(20,21)18-6-3-11(4-7-18)16-14(19)12-9-13(22-17-12)10-1-2-10/h9-11H,1-8,15H2,(H,16,19)
定義日:2019-01-30
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:N-{1-[(2-aminoethyl)sulfonyl]piperidin-4-yl}-5-cyclopropyl-1,2-oxazole-3-carboxamide
E4O
E4O
表記:(2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
組成式:C16 H18 Cl2 N4 O3
SMILES:C[CH](O)[CH](N)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O
InChi:InChI=1S/C16H18Cl2N4O3/c1-9(23)14(19)15(24)20-4-2-3-5-22-8-21-13-7-12(18)11(17)6-10(13)16(22)25/h2-3,6-9,14,23H,4-5,19H2,1H3,(H,20,24)/b3-2+/t9-,14+/m1/s1
定義日:2019-10-10
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:(2~{S},3~{R})-2-azanyl-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
JU5
JU5
表記:~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
組成式:C38 H45 N5 O3 S
SMILES:CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c3scc(CN4CCC[CH](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5)n3
InChi:InChI=1S/C38H45N5O3S/c1-5-42(6-2)33-16-15-30-21-34(38(45)46-35(30)22-33)36-39-32(26-47-36)25-41-17-9-10-27(23-41)24-43(19-18-40(3)4)37(44)31-14-13-28-11-7-8-12-29(28)20-31/h7-8,11-16,20-22,26-27H,5-6,9-10,17-19,23-25H2,1-4H3/t27-/m0/s1
定義日:2019-03-28
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:~{N}-[[(3~{S})-1-[[2-[7-(diethylamino)-2-oxidanylidene-chromen-3-yl]-1,3-thiazol-4-yl]methyl]piperidin-3-yl]methyl]-~{N}-[2-(dimethylamino)ethyl]naphthalene-2-carboxamide
JUB
JUB
表記:[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium
組成式:C35 H42 N7 O5 S
SMILES:O[N+](=O)c1ccc(N2CC[NH+](CC2)CCN(C[CH]3CCC[NH+](C3)Cc4ccccc4)[S](=O)(=O)c5ccc6ccccc6c5)c7nonc17
InChi:InChI=1S/C35H40N7O5S/c43-42(44)33-15-14-32(34-35(33)37-47-36-34)40-20-17-38(18-21-40)19-22-41(48(45,46)31-13-12-29-10-4-5-11-30(29)23-31)26-28-9-6-16-39(25-28)24-27-7-2-1-3-8-27/h1-5,7-8,10-15,23,28H,6,9,16-22,24-26H2,(H,43,44)/q+1/p+2/t28-/m0/s1
定義日:2019-03-28
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[7-[4-[2-[naphthalen-2-ylsulfonyl-[[(3~{S})-1-(phenylmethyl)piperidin-1-ium-3-yl]methyl]amino]ethyl]piperazin-4-ium-1-yl]-2,1,3-benzoxadiazol-4-yl]-oxidanyl-oxidanylidene-azanium
KNH
KNH
表記:Myxovirescin A
組成式:C35 H61 N O8
SMILES:CCC[CH]1OC(=O)[CH](C)C[CH](C)CCCCC(=O)CCC[CH](CC)C=CC=C(CC[CH](O)[CH](O)C[CH](O)CNC1=O)COC
InChi:InChI=1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10-,28-16-/t25-,26+,27+,30+,31-,32+,33+/m1/s1
定義日:2019-06-11
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:(2~{S},6~{S},8~{S},9~{R},12~{Z},14~{Z},16~{R},25~{R},27~{S})-16-ethyl-12-(methoxymethyl)-25,27-dimethyl-6,8,9-tris(oxidanyl)-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
KRY
KRY
表記:4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide
組成式:C15 H11 F2 N3 O3 S
SMILES:Fc1cc(F)ccc1N2C(N(C=C2)c3ccc(S(=O)(=O)N)cc3)=O
InChi:InChI=1S/C15H11F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-9H,(H2,18,22,23)
定義日:2019-01-10
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide
KSJ
KSJ
表記:[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
組成式:C14 H16 O4
SMILES:C1(CCCC1CC(O)=O)C(c2ccccc2O)=O
InChi:InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m0/s1
定義日:2019-01-11
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
KSP
KSP
表記:[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
組成式:C14 H16 O4
SMILES:c1cccc(c1O)C(C2C(CCC2)CC(O)=O)=O
InChi:InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m1/s1
定義日:2019-01-11
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
LFK
LFK
表記:3-(3-hydroxyphenyl)carbonyloxybenzoic acid
組成式:C14 H10 O5
SMILES:OC(=O)c1cccc(OC(=O)c2cccc(O)c2)c1
InChi:InChI=1S/C14H10O5/c15-11-5-1-4-10(7-11)14(18)19-12-6-2-3-9(8-12)13(16)17/h1-8,15H,(H,16,17)
定義日:2019-08-13
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-(3-hydroxyphenyl)carbonyloxybenzoic acid
LUH
LUH
表記:[4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
組成式:C14 H20 N5 O9 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[CH](CON)NC2=O)c1O
InChi:InChI=1S/C14H20N5O9P/c1-7-12(20)9(8(2-16-7)4-28-29(23,24)25)3-17-27-6-11-14(22)18-10(5-26-15)13(21)19-11/h2-3,10-11,20H,4-6,15H2,1H3,(H,18,22)(H,19,21)(H2,23,24,25)/b17-3-/t10-,11-/m0/s1
定義日:2019-09-06
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
LUK
LUK
表記:[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
組成式:C14 H20 N5 O9 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[CH](CON)NC2=O)c1O
InChi:InChI=1S/C14H20N5O9P/c1-7-12(20)9(8(2-16-7)4-28-29(23,24)25)3-17-27-6-11-14(22)18-10(5-26-15)13(21)19-11/h2-3,10-11,20H,4-6,15H2,1H3,(H,18,22)(H,19,21)(H2,23,24,25)/b17-3-/t10-,11-/m1/s1
定義日:2019-09-07
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
LUP
LUP
表記:5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
組成式:C23 H35 F3 N4 O4 S
SMILES:C4C(NCCCC(F)(F)F)CCC(CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O)C4
InChi:InChI=1S/C23H35F3N4O4S/c24-23(25,26)10-1-11-27-18-6-2-16(3-7-18)15-35(32,33)30-12-8-19(9-13-30)28-22(31)20-14-21(34-29-20)17-4-5-17/h14,16-19,27H,1-13,15H2,(H,28,31)/t16-,18-
定義日:2019-03-15
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
LVT
LVT
表記:octa-anionic calix[4]arene
組成式:C36 H32 O24 S4
SMILES:OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5OCC(O)=O)[S](O)(=O)=O)c4OCC(O)=O)[S](O)(=O)=O)c3OCC(O)=O)[S](O)(=O)=O
InChi:InChI=1S/C36H32O24S4/c37-29(38)13-57-33-17-1-18-6-26(62(48,49)50)8-20(34(18)58-14-30(39)40)3-22-10-28(64(54,55)56)12-24(36(22)60-16-32(43)44)4-23-11-27(63(51,52)53)9-21(35(23)59-15-31(41)42)2-19(33)7-25(5-17)61(45,46)47/h5-12H,1-4,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
定義日:2019-09-17
最終更新日:2020-01-10
公開日:2020-01-15
DVX
DVX
表記:[(2R)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
組成式:C33 H25 B Br F7 N4 O5
SMILES:CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)OC[CH](Oc4ccc(F)c(C(N)=O)c4F)c5oc(Br)c(n5)c6ccc(cc6)C(F)(F)F)n3[B-]2(F)F)C
InChi:InChI=1S/C33H25BBrF7N4O5/c1-16-13-17(2)45-23(16)14-21-8-7-20(46(21)34(45,41)42)9-12-26(47)49-15-25(50-24-11-10-22(36)27(28(24)37)31(43)48)32-44-29(30(35)51-32)18-3-5-19(6-4-18)33(38,39)40/h3-8,10-11,13-14,25H,9,12,15H2,1-2H3,(H2,43,48)/t25-/m1/s1
定義日:2019-09-10
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[(2~{R})-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
QDG
QDG
表記:4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
組成式:C35 H37 Br Cl2 N8 O4
SMILES:C(C6(c1c(Cl)cc(cc1)Cl)OCC(COc2ccc(cc2)N5CCN(c3ccc(cc3Br)N4C(N(N=C4)C(C)CC)=O)CC5)O6)n7cncn7
InChi:InChI=1S/C35H37BrCl2N8O4/c1-3-24(2)46-34(47)45(23-41-46)27-7-11-33(31(36)17-27)43-14-12-42(13-15-43)26-5-8-28(9-6-26)48-18-29-19-49-35(50-29,20-44-22-39-21-40-44)30-10-4-25(37)16-32(30)38/h4-11,16-17,21-24,29H,3,12-15,18-20H2,1-2H3/t24-,29-,35-/m0/s1
定義日:2019-10-16
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
HMW
HMW
表記:3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C25 H23 F3 N8 O2
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m1/s1
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
HNZ
HNZ
表記:3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C25 H24 F3 N9 O
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C25H24F3N9O/c1-16-5-6-17(21(38)31-19-4-2-3-18(14-19)25(26,27)28)13-20(16)32-22-33-23(36-10-7-29-8-11-36)35-24(34-22)37-12-9-30-15-37/h2-6,9,12-15,29H,7-8,10-11H2,1H3,(H,31,38)(H,32,33,34,35)
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
HO5
HO5
表記:3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C25 H23 F3 N8 O2
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m0/s1
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
HO8
HO8
表記:3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C25 H23 F3 N8 O2
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C25H23F3N8O2/c1-16-5-6-17(21(37)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)31-22-32-23(35-9-11-38-12-10-35)34-24(33-22)36-8-7-29-15-36/h2-8,13-15H,9-12H2,1H3,(H,30,37)(H,31,32,33,34)
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
HOK
HOK
表記:3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C26 H25 F3 N8 O2
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C26H25F3N8O2/c1-16-7-8-17(22(39)31-19-5-2-4-18(13-19)26(27,28)29)12-21(16)32-23-33-24(36-10-3-6-20(38)14-36)35-25(34-23)37-11-9-30-15-37/h2,4-5,7-9,11-13,15,20,38H,3,6,10,14H2,1H3,(H,31,39)(H,32,33,34,35)/t20-/m0/s1
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
HOT
HOT
表記:3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
組成式:C26 H25 F3 N8 O2
SMILES:Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC(O)CC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:InChI=1S/C26H25F3N8O2/c1-16-5-6-17(22(39)31-19-4-2-3-18(14-19)26(27,28)29)13-21(16)32-23-33-24(36-10-7-20(38)8-11-36)35-25(34-23)37-12-9-30-15-37/h2-6,9,12-15,20,38H,7-8,10-11H2,1H3,(H,31,39)(H,32,33,34,35)
定義日:2018-12-14
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
NRE
NRE
表記:[(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
組成式:C20 H23 Br F N3 O2
SMILES:COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH]2CNc3ccc(Br)cn3
InChi:InChI=1S/C20H23BrFN3O2/c1-13-6-8-15(11-24-18-9-7-14(21)10-23-18)25(12-13)20(26)16-4-3-5-17(22)19(16)27-2/h3-5,7,9-10,13,15H,6,8,11-12H2,1-2H3,(H,23,24)/t13-,15-/m0/s1
定義日:2019-12-11
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:[(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone
NRK
NRK
表記:(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide
組成式:C22 H20 F2 N4 O2
SMILES:Cc1ncc(OC[C]2(C[CH]2C(=O)Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1
InChi:InChI=1S/C22H20F2N4O2/c1-13-19(11-25-14(2)27-13)30-12-22(15-4-3-5-16(23)8-15)9-18(22)21(29)28-20-7-6-17(24)10-26-20/h3-8,10-11,18H,9,12H2,1-2H3,(H,26,28,29)/t18-,22+/m0/s1
定義日:2019-12-11
最終更新日:2020-01-10
公開日:2020-01-15
識別子（ID）:(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide

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