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VOW
VOW
表記:(4-ethoxyphenyl)-oxidanyl-oxidanylidene-boron
組成式:C8 H11 B O3
SMILES:CCOc1ccc(cc1)B(O)O
InChi:InChI=1S/C8H11BO3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6,10-11H,2H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(4-ethoxyphenyl)boronic acid
VP8
VP8
表記:(3-ethoxyphenyl)boronic acid
組成式:C8 H11 B O3
SMILES:CCOc1cccc(c1)B(O)O
InChi:InChI=1S/C8H11BO3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6,10-11H,2H2,1H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(3-ethoxyphenyl)boronic acid
VAV
VAV
表記:[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron
組成式:C5 H5 B F3 N2 O2
SMILES:Cn1nc(cc1[B](O)=O)C(F)(F)F
InChi:InChI=1S/C5H5BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12H,1H3
定義日:2022-08-29
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-oxidanyl-oxidanylidene-boron
VQ2
VQ2
表記:[4-(diethylcarbamoyl)phenyl]boronic acid
組成式:C11 H16 B N O3
SMILES:O=C(N(CC)CC)c1ccc(cc1)B(O)O
InChi:InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-5-7-10(8-6-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3
定義日:2022-09-02
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:[4-(diethylcarbamoyl)phenyl]boronic acid
WTN
WTN
表記:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
組成式:C20 H25 N5 O4 S
SMILES:O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC
InChi:InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1
定義日:2022-10-18
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
8I5
8I5
表記:3N methyl nemycin B
組成式:C24 H48 N6 O13
SMILES:CN[CH]1C[CH](N)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O[CH]3O[CH](CN)[CH](O)[CH](O)[CH]3N)[CH]2O)[CH]1O[CH]4O[CH](CN)[CH](O)[CH](O)[CH]4N
InChi:InChI=1S/C24H48N6O13/c1-30-7-2-6(27)13(32)21(19(7)41-22-11(28)16(35)14(33)8(3-25)38-22)43-24-18(37)20(10(5-31)40-24)42-23-12(29)17(36)15(34)9(4-26)39-23/h6-24,30-37H,2-5,25-29H2,1H3/t6-,7+,8-,9+,10+,11+,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+/m1/s1
定義日:2021-10-19
最終更新日:2022-10-28
公開日:2022-11-02
識別子（ID）:(2~{R},3~{S},4~{R},5~{S},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{R},3~{S},4~{R},6~{S})-2-[(2~{S},3~{R},4~{R},5~{S})-4-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4-azanyl-6-(methylamino)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-diol
6N9
6N9
表記:N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide
組成式:C24 H21 F2 N3 O4 S
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc21)c1ccc(OC)cc1
InChi:InChI=1S/C24H21F2N3O4S/c1-3-10-34(31,32)29-20-9-8-19(25)21(22(20)26)23(30)18-13-28-24-17(18)11-15(12-27-24)14-4-6-16(33-2)7-5-14/h4-9,11-13,29H,3,10H2,1-2H3,(H,27,28)
定義日:2016-05-10
最終更新日:2022-10-25
公開日:2016-09-14
識別子（ID）:N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide
6NC
6NC
表記:2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide)
組成式:C52 H46 F4 N8 O9 S2
SMILES:CCCS(=O)(=O)Nc1ccc(F)c(c1F)C(=O)c1c[NH]c2ncc(cc12)c1ccc(cc1)CNC(=O)COCC(=O)NCc1ccc(cc1)c1cc2c(nc1)[NH]cc2C(=O)c1c(F)ccc(NS(=O)(=O)CCC)c1F
InChi:InChI=1S/C52H46F4N8O9S2/c1-3-17-74(69,70)63-41-15-13-39(53)45(47(41)55)49(67)37-25-61-51-35(37)19-33(23-59-51)31-9-5-29(6-10-31)21-57-43(65)27-73-28-44(66)58-22-30-7-11-32(12-8-30)34-20-36-38(26-62-52(36)60-24-34)50(68)46-40(54)14-16-42(48(46)56)64-75(71,72)18-4-2/h5-16,19-20,23-26,63-64H,3-4,17-18,21-22,27-28H2,1-2H3,(H,57,65)(H,58,66)(H,59,61)(H,60,62)
定義日:2016-05-10
最終更新日:2022-10-25
公開日:2016-09-14
識別子（ID）:2,2'-oxybis(N-{[4-(3-{2,6-difluoro-3-[(propane-1-sulfonyl)amino]benzoyl}-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methyl}acetamide)
JYX
JYX
表記:3-ethylimidazo[4,5-b]pyridin-2-amine
組成式:C8 H10 N4
SMILES:CCn1c(N)nc2cccnc12
InChi:InChI=1S/C8H10N4/c1-2-12-7-6(11-8(12)9)4-3-5-10-7/h3-5H,2H2,1H3,(H2,9,11)
定義日:2022-05-16
最終更新日:2022-10-14
公開日:2022-10-19
識別子（ID）:3-ethylimidazo[4,5-b]pyridin-2-amine
K40
K40
表記:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
組成式:C11 H8 Cl2 N2 O
SMILES:O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12
InChi:InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
KDX
KDX
表記:9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
組成式:C11 H9 N3 O2
SMILES:COc1cccc2[NH]c3c(N=CNC3=O)c21
InChi:InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
ID9
ID9
表記:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
組成式:C19 H19 N5 O
SMILES:Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1
InChi:InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4R)-2,3-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]imidazo[1,2-b]pyridazine
IG6
IG6
表記:(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
組成式:C20 H18 F3 N5
SMILES:FC(F)(F)c1nc2ccc(nn2c1C)CCc1nc(cn1C)c1ccccc1
InChi:InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-3-methyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
IIR
IIR
表記:{(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol
組成式:C22 H19 N5 O
SMILES:Cn1cc(nc1C#Cc1ccc2nc(c(CO)n2n1)C1CC1)c1ccccc1
InChi:InChI=1S/C22H19N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-8,14H2,1H3
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:{(4S)-2-cyclopropyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol
IJ0
IJ0
表記:(4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine
組成式:C20 H15 F2 N5
SMILES:FC(F)c1nc2ccc(nn2c1C)C#Cc1nc(cn1C)c1ccccc1
InChi:InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3
定義日:2022-01-26
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-2-(difluoromethyl)-3-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazine
IJH
IJH
表記:(4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
組成式:C20 H21 N5
SMILES:Cn1cc(nc1CCc1ccc2nc(C)c(C)n2n1)c1ccccc1
InChi:InChI=1S/C20H21N5/c1-14-15(2)25-20(21-14)12-10-17(23-25)9-11-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,10,12-13H,9,11H2,1-3H3
定義日:2022-01-26
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-2,3-dimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-b]pyridazine
IK0
IK0
表記:(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide
組成式:C19 H26 N8 O
SMILES:Cn1nc(nc1CCc1cc(C(=O)NC)c2nc(C)c(C)n2n1)N1CCCC1
InChi:InChI=1S/C19H26N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-10H2,1-4H3,(H,20,28)
定義日:2022-01-26
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-N,2,3-trimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine-8-carboxamide
IKH
IKH
表記:{(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol
組成式:C20 H17 N5 O
SMILES:Cn1cc(nc1C#Cc1ccc2nc(C)c(CO)n2n1)c1ccccc1
InChi:InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3
定義日:2022-01-26
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:{(4S)-2-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)ethynyl]imidazo[1,2-b]pyridazin-3-yl}methanol
IY6
IY6
表記:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
組成式:C18 H22 F3 N7
SMILES:Cn1nc(nc1CCc1nn2c(C)c(C)nc2cc1C(F)(F)F)N1CCCC1
InChi:InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
J2L
J2L
表記:(4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine
組成式:C18 H25 N7 O2 S
SMILES:Cn1nc(nc1CCc1cc(c2nc(C)c(C)n2n1)S(C)(=O)=O)N1CCCC1
InChi:InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-8-(methanesulfonyl)-2,3-dimethyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}imidazo[1,2-b]pyridazine
JHI
JHI
表記:(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine
組成式:C12 H15 Cl N4
SMILES:Cc1c(C)nc2c(cc(Cl)nn12)N1CCCC1
InChi:InChI=1S/C12H15ClN4/c1-8-9(2)17-12(14-8)10(7-11(13)15-17)16-5-3-4-6-16/h7H,3-6H2,1-2H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine
JNU
JNU
表記:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
組成式:C17 H20 F3 N7
SMILES:Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1
InChi:InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
JOF
JOF
表記:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
組成式:C11 H9 Cl N2 O2
SMILES:O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C
InChi:InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3
定義日:2022-02-01
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
PWL
PWL
表記:6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
組成式:C7 H6 Br N3
SMILES:Brc1cc2[NH]ccc2nc1N
InChi:InChI=1S/C7H6BrN3/c8-4-3-6-5(1-2-10-6)11-7(4)9/h1-3,10H,(H2,9,11)
定義日:2022-05-31
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:6-bromo-1H-pyrrolo[3,2-b]pyridin-5-amine
86K
86K
表記:2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one
組成式:C21 H22 N4 O
SMILES:O=C(CN(C)c1ccccc1)N1CC=C(CC1)c1c[NH]c2ncccc12
InChi:InChI=1S/C21H22N4O/c1-24(17-6-3-2-4-7-17)15-20(26)25-12-9-16(10-13-25)19-14-23-21-18(19)8-5-11-22-21/h2-9,11,14H,10,12-13,15H2,1H3,(H,22,23)
定義日:2021-09-08
最終更新日:2022-09-30
公開日:2022-10-05
識別子（ID）:2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one

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