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Q7H
Q7H
表記:11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H30 N6 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
InChi:InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7K
Q7K
表記:11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H32 N6 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5
InChi:InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7Q
Q7Q
表記:6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C22 H28 N6 O4
SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
InChi:InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7Z
Q7Z
表記:6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C23 H30 N6 O4
SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
InChi:InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8B
Q8B
表記:N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
組成式:C27 H35 N7 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
InChi:InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8K
Q8K
表記:11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
組成式:C22 H24 N6 O2
SMILES:OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
InChi:InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8Q
Q8Q
表記:11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
組成式:C18 H20 N6 O
SMILES:CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
InChi:InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8T
Q8T
表記:11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H34 N8 O2
SMILES:CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45
InChi:InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8W
Q8W
表記:10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
組成式:C22 H26 N6 O2
SMILES:C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1
InChi:InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q98
Q98
表記:11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
組成式:C17 H17 N5 O2
SMILES:O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)
定義日:2020-05-27
最終更新日:2020-05-29
公開日:2020-06-03
Q9B
Q9B
表記:8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
組成式:C18 H19 N5 O
SMILES:O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:InChI=1S/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24)
定義日:2020-05-27
最終更新日:2020-05-29
公開日:2020-06-03
T9G
T9G
表記:2-[(1R)-1-aminopropyl]phenol
組成式:C9 H13 N O
SMILES:c1cccc(O)c1C(N)CC
InChi:InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m1/s1
定義日:2020-03-18
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(1R)-1-aminopropyl]phenol
TBJ
TBJ
表記:N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
組成式:C11 H20 N2 O2
SMILES:C2C(NC(NCC1CCCO1)=O)CCC2
InChi:InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1
定義日:2020-03-19
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
KPQ
KPQ
表記:1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
組成式:C4 H2 F9 N O2 S
SMILES:N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
定義日:2019-06-13
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
LQ8
LQ8
表記:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
組成式:C28 H30 N2 O7
SMILES:OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O
InChi:InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
定義日:2019-08-30
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
LQK
LQK
表記:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
組成式:C26 H27 N3 O6
SMILES:NC(=O)[CH]1CC[CH]1C(=O)N2CCc3c(OCCO)cccc3[CH]2CN4C(=O)c5ccccc5C4=O
InChi:InChI=1S/C26H27N3O6/c27-23(31)17-8-9-20(17)24(32)28-11-10-16-15(6-3-7-22(16)35-13-12-30)21(28)14-29-25(33)18-4-1-2-5-19(18)26(29)34/h1-7,17,20-21,30H,8-14H2,(H2,27,31)/t17-,20+,21+/m0/s1
定義日:2019-08-30
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
U64
U64
表記:6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
組成式:C25 H23 F2 N5 O2 S
SMILES:c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N
InChi:InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1
定義日:2020-04-27
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
U0A
U0A
表記:11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
組成式:C22 H19 N3 O4 S2
SMILES:c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O
InChi:InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29)
定義日:2020-04-06
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K75
K75
表記:(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
組成式:C13 H14 N6
SMILES:CNc1[nH]c2cc3N=C(N)N[CH](C#CC)c3cc2n1
InChi:InChI=1S/C13H14N6/c1-3-4-8-7-5-10-11(19-13(15-2)18-10)6-9(7)17-12(14)16-8/h5-6,8H,1-2H3,(H3,14,16,17)(H2,15,18,19)/t8-/m1/s1
定義日:2019-05-01
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(8~{R})-~{N}2-methyl-8-prop-1-ynyl-7,8-dihydro-3~{H}-imidazo[4,5-g]quinazoline-2,6-diamine
K8H
K8H
表記:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
組成式:C19 H28 N6 O3
SMILES:Nc1ncnc2n(ccc12)[CH]3O[CH](CN4CCCC45CCNCC5)[CH](O)[CH]3O
InChi:InChI=1S/C19H28N6O3/c20-16-12-2-9-25(17(12)23-11-22-16)18-15(27)14(26)13(28-18)10-24-8-1-3-19(24)4-6-21-7-5-19/h2,9,11,13-15,18,21,26-27H,1,3-8,10H2,(H2,20,22,23)/t13-,14-,15-,18-/m1/s1
定義日:2019-05-02
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol
OUB
OUB
表記:(S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
組成式:C9 H9 N3 O5
SMILES:N[CH](CN1C(=O)NC(=O)c2cocc12)C(O)=O
InChi:InChI=1S/C9H9N3O5/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h2-3,5H,1,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
定義日:2020-04-06
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
SY4
SY4
表記:~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
組成式:C9 H12 F2 N2 O2 S
SMILES:CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F
InChi:InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
定義日:2020-03-13
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
SY7
SY7
表記:2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
組成式:C28 H30 N6 O4
SMILES:COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1
InChi:InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1
定義日:2020-03-13
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
SYG
SYG
表記:2-[(1~{S})-1-azanylpropyl]phenol
組成式:C9 H13 N O
SMILES:CC[CH](N)c1ccccc1O
InChi:InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
定義日:2020-03-13
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-[(1~{S})-1-azanylpropyl]phenol
SYJ
SYJ
表記:2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide
組成式:C11 H10 F N O3 S
SMILES:Fc1ccccc1[S](=O)(=O)NCc2occc2
InChi:InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
定義日:2020-03-13
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

238582

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