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J4M
J4M
表記:N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
組成式:C18 H16 F2 N6
SMILES:c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4
InChi:InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1
定義日:2018-08-10
最終更新日:2019-04-26
公開日:2019-05-01
識別子（ID）:N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine
HB8
HB8
表記:[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
組成式:C13 H17 B N O5 S
SMILES:CC(C)(C)OC(=O)Nc1cccc2cc(sc12)[B-](O)(O)O
InChi:InChI=1S/C13H17BNO5S/c1-13(2,3)20-12(16)15-9-6-4-5-8-7-10(14(17,18)19)21-11(8)9/h4-7,17-19H,1-3H3,(H,15,16)/q-1
定義日:2018-12-04
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:[7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
HCH
HCH
表記:(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
組成式:C9 H8 B O5 S
SMILES:OC(=O)c1cccc2cc(sc12)[B-](O)(O)O
InChi:InChI=1S/C9H8BO5S/c11-9(12)6-3-1-2-5-4-7(10(13,14)15)16-8(5)6/h1-4,13-15H,(H,11,12)/q-1
定義日:2018-12-03
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
HCQ
HCQ
表記:[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
組成式:C9 H11 B N O3 S
SMILES:NCc1ccc2sc(cc2c1)[B-](O)(O)O
InChi:InChI=1S/C9H11BNO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5,11H2/q-1
定義日:2018-12-03
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:[5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
HD5
HD5
表記:[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
組成式:C9 H10 B N O2 S
SMILES:NCc1ccc2sc(cc2c1)B(O)O
InChi:InChI=1S/C9H10BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H,5,11H2
定義日:2018-12-03
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
JDV
JDV
表記:(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
組成式:C33 H41 F N4 O7 S2
SMILES:C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7ccc(F)cc7)=O
InChi:InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-9-10-26-29(13-23)46-32(36-26)35-22-7-8-22)15-28(39)27(11-19-3-5-21(34)6-4-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-6,9-10,13,18,20,22,24-25,27-28,30-31,39H,7-8,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1
定義日:2018-09-05
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(4-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
JDY
JDY
表記:(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
組成式:C33 H41 F N4 O7 S2
SMILES:C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7cccc(c7)F)=O
InChi:InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)46-32(36-26)35-22-6-7-22)15-28(39)27(11-19-4-3-5-21(34)10-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-5,8-10,13,18,20,22,24-25,27-28,30-31,39H,6-7,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1
定義日:2018-09-05
最終更新日:2019-04-19
公開日:2019-04-24
識別子（ID）:(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
CHL
CHL
表記:CHLOROPHYLL B
組成式:C55 H70 Mg N4 O6
SMILES:CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
InChi:InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42
定義日:1999-07-08
最終更新日:2019-04-16
J9G
J9G
表記:3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
組成式:C19 H14 F2 N4 O
SMILES:c4c(Nc1cnc2c(c1)NC(N2Cc3ccccc3)=O)c(cc(c4)F)F
InChi:InChI=1S/C19H14F2N4O/c20-13-6-7-16(15(21)8-13)23-14-9-17-18(22-10-14)25(19(26)24-17)11-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,24,26)
定義日:2018-08-24
最終更新日:2019-04-12
公開日:2019-04-17
識別子（ID）:3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
HLV
HLV
表記:2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
組成式:C14 H13 N O2
SMILES:c12cc(ccc1oc3c2cccc3)OCCN
InChi:InChI=1S/C14H13NO2/c15-7-8-16-10-5-6-14-12(9-10)11-3-1-2-4-13(11)17-14/h1-6,9H,7-8,15H2
定義日:2018-07-12
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
HMJ
HMJ
表記:2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
組成式:C16 H17 N O2
SMILES:c1c(OCCN(C)C)ccc3c1c2c(cccc2)o3
InChi:InChI=1S/C16H17NO2/c1-17(2)9-10-18-12-7-8-16-14(11-12)13-5-3-4-6-15(13)19-16/h3-8,11H,9-10H2,1-2H3
定義日:2018-07-12
最終更新日:2019-04-05
公開日:2019-04-10
識別子（ID）:2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
VV6
VV6
表記:[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
組成式:H12 O17 V6
SMILES:O[V](O)O[V](O)(O)O[V](O)(O)O.O[V](O[V]=O)O[V](O)(O)(O)O
InChi:InChI=1S/12H2O.5O.6V/h12*1H2
定義日:2018-10-13
最終更新日:2019-03-29
公開日:2019-04-03
識別子（ID）:[[[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]-oxidanylidene-vanadio]oxy-oxidanyl-vanadio]oxy-tetrakis(oxidanyl)vanadium
GDW
GDW
表記:5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
組成式:C21 H24 N2 O2
SMILES:CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4ccccc4c13
InChi:InChI=1S/C21H24N2O2/c1-3-22(4-2)12-13-23-16-10-7-11-17(24)18(16)19-20(23)14-8-5-6-9-15(14)21(19)25/h5-6,8-9H,3-4,7,10-13H2,1-2H3
定義日:2018-09-12
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
H4D
H4D
表記:3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
組成式:C13 H12 B N O5 S
SMILES:N(C(=O)Cc1cccs1)c2cc(cc(c2)C(=O)O)B(O)O
InChi:InChI=1S/C13H12BNO5S/c16-12(7-11-2-1-3-21-11)15-10-5-8(13(17)18)4-9(6-10)14(19)20/h1-6,19-20H,7H2,(H,15,16)(H,17,18)
定義日:2018-06-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:3-borono-5-{[(thiophen-2-yl)acetyl]amino}benzoic acid
H68
H68
表記:Tetrahydrocolumbamine
組成式:C20 H23 N O4
SMILES:COc1cc2CCN3Cc4c(C[CH]3c2cc1O)ccc(OC)c4OC
InChi:InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
定義日:2018-11-16
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:(13~{a}~{S})-3,9,10-trimethoxy-6,8,13,13~{a}-tetrahydro-5~{H}-isoquinolino[2,1-b]isoquinolin-2-ol
FXB
FXB
表記:5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
組成式:C21 H21 N O3
SMILES:CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
InChi:InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3
定義日:2018-08-11
最終更新日:2019-03-22
公開日:2019-03-27
識別子（ID）:5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
9EL
9EL
表記:(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile
組成式:C21 H15 F3 N2 O2
SMILES:c4(F)c(C3Oc2c(c1cc(OC)c(C#N)cc1cc2)CC3N)cc(c(c4)F)F
InChi:InChI=1S/C21H15F3N2O2/c1-27-20-7-12-10(4-11(20)9-25)2-3-19-13(12)6-18(26)21(28-19)14-5-16(23)17(24)8-15(14)22/h2-5,7-8,18,21H,6,26H2,1H3/t18-,21+/m0/s1
定義日:2018-03-28
最終更新日:2019-03-15
公開日:2019-03-20
識別子（ID）:(2S,3R)-2-amino-9-methoxy-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-naphtho[2,1-b]pyran-8-carbonitrile
E6N
E6N
表記:(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
組成式:C34 H37 N7 O6
SMILES:COc1ccccc1COc2cc(ccc2OC)C3=NN(C4CCN(CC4)c5ccc6ncc(n6n5)[N+]([O-])=O)C(=O)[CH]7CCCC[CH]37
InChi:InChI=1S/C34H37N7O6/c1-45-27-10-6-3-7-23(27)21-47-29-19-22(11-12-28(29)46-2)33-25-8-4-5-9-26(25)34(42)39(37-33)24-15-17-38(18-16-24)31-14-13-30-35-20-32(41(43)44)40(30)36-31/h3,6-7,10-14,19-20,24-26H,4-5,8-9,15-18,21H2,1-2H3/t25-,26-/m0/s1
定義日:2018-02-20
最終更新日:2019-03-15
公開日:2019-03-20
識別子（ID）:(4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one
96S
96S
表記:1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one
組成式:C20 H19 Cl2 N5 O2
SMILES:Clc4c(CC=3N(C(=O)N(Cc2nc1c(nc(cc1)Cl)n2)C=3)CC)ccc(c4)OC
InChi:InChI=1S/C20H19Cl2N5O2/c1-3-27-13(8-12-4-5-14(29-2)9-15(12)21)10-26(20(27)28)11-18-23-16-6-7-17(22)24-19(16)25-18/h4-7,9-10H,3,8,11H2,1-2H3,(H,23,24,25)
定義日:2017-04-04
最終更新日:2019-03-08
公開日:2019-03-13
識別子（ID）:1-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-4-[(2-chloro-4-methoxyphenyl)methyl]-3-ethyl-1,3-dihydro-2H-imidazol-2-one
X27
X27
表記:2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
組成式:C27 H33 N7 O2
SMILES:O=C2N(c1cnc(nc1N(c3c2cccc3)C(C)C)Nc4ccc(c(c4)OC)N5CCN(CC5)C)C
InChi:InChI=1S/C27H33N7O2/c1-18(2)34-21-9-7-6-8-20(21)26(35)32(4)23-17-28-27(30-25(23)34)29-19-10-11-22(24(16-19)36-5)33-14-12-31(3)13-15-33/h6-11,16-18H,12-15H2,1-5H3,(H,28,29,30)
定義日:2018-02-26
最終更新日:2019-03-01
公開日:2019-03-06
識別子（ID）:2-{[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-5-methyl-11-(propan-2-yl)-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
GUK
GUK
表記:6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
組成式:C16 H15 Cl N6
SMILES:CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3
InChi:InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21)
定義日:2018-10-10
最終更新日:2019-02-22
公開日:2019-02-27
識別子（ID）:6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
GXK
GXK
表記:6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
組成式:C17 H15 Cl N6
SMILES:Clc1cc(NCC2CC2)c3ncc(n3n1)c4ccc5n[nH]cc5c4
InChi:InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)
定義日:2018-10-16
最終更新日:2019-02-22
公開日:2019-02-27
識別子（ID）:6-chloranyl-~{N}-(cyclopropylmethyl)-3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
J8A
J8A
表記:3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
組成式:C29 H27 F3 N6 O2 S
SMILES:c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5
InChi:InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39)
定義日:2018-08-22
最終更新日:2019-02-15
公開日:2019-02-20
識別子（ID）:3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
ZOT
ZOT
表記:2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
組成式:C18 H18 Cl N O S
SMILES:CN(C)CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13
InChi:InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
定義日:2017-08-17
最終更新日:2019-02-08
公開日:2019-02-13
識別子（ID）:2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-~{N},~{N}-dimethyl-ethanamine
HO7
HO7
表記:(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
組成式:C11 H11 Br N2 S
SMILES:c3c(C2CN1CCSC1=N2)ccc(c3)Br
InChi:InChI=1S/C11H11BrN2S/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10/h1-4,10H,5-7H2/t10-/m1/s1
定義日:2018-07-16
最終更新日:2019-02-08
公開日:2019-02-13
識別子（ID）:(6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

223532

件を2024-08-07に公開中

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