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YMH
YMH
表記:~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
組成式:C23 H22 N4 O3
SMILES:CC(C)c1cc(Oc2ccncc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
InChi:InChI=1S/C23H22N4O3/c1-14(2)17-13-20(30-16-7-9-24-10-8-16)15(3)12-18(17)25-22(28)21-19-6-4-5-11-27(19)26-23(21)29/h4-14H,1-3H3,(H,25,28)(H,26,29)
定義日:2023-12-05
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:~{N}-(5-methyl-2-propan-2-yl-4-pyridin-4-yloxy-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
VTE
VTE
表記:~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
組成式:C22 H22 N2 O6
SMILES:Oc1cc(cc(O)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:InChI=1S/C22H22N2O6/c25-16-10-15(11-17(26)21(16)28)20(27)19-12-14-9-13(3-4-18(14)30-19)22(29)23-5-8-24-6-1-2-7-24/h3-4,9-12,25-26,28H,1-2,5-8H2,(H,23,29)
定義日:2023-03-31
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:~{N}-(2-pyrrolidin-1-ylethyl)-2-[3,4,5-tris(oxidanyl)phenyl]carbonyl-1-benzofuran-5-carboxamide
VTR
VTR
表記:2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide
組成式:C22 H20 Br2 N2 O6
SMILES:Oc1c(O)c(Br)c(c(Br)c1O)C(=O)c2oc3ccc(cc3c2)C(=O)NCCN4CCCC4
InChi:InChI=1S/C22H20Br2N2O6/c23-16-15(17(24)20(29)21(30)19(16)28)18(27)14-10-12-9-11(3-4-13(12)32-14)22(31)25-5-8-26-6-1-2-7-26/h3-4,9-10,28-30H,1-2,5-8H2,(H,25,31)
定義日:2023-03-31
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide
YC0
YC0
表記:methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
組成式:C33 H46 N2 O6
SMILES:COC(=O)[CH](CO)NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C
InChi:InChI=1S/C33H46N2O6/c1-19-20-8-9-24-31(4,21(20)16-23(37)26(19)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)34-22(18-36)27(39)41-7/h8-9,16,22,25,36,38H,10-15,17-18H2,1-7H3,(H2,34,35,40)/t22-,25+,29+,30+,31-,32+,33-/m0/s1
定義日:2023-11-29
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:methyl (2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]-3-oxidanyl-propanoate
YCC
YCC
表記:methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
組成式:C34 H46 N2 O6
SMILES:COC(=O)C1(COC1)NC(=O)N[C]2(C)CC[C]3(C)CC[C]4(C)C5=CC=C6C(=C(O)C(=O)C=C6[C]5(C)CC[C]4(C)[CH]3C2)C
InChi:InChI=1S/C34H46N2O6/c1-20-21-8-9-24-31(4,22(21)16-23(37)26(20)38)13-15-33(6)25-17-30(3,12-10-29(25,2)11-14-32(24,33)5)35-28(40)36-34(18-42-19-34)27(39)41-7/h8-9,16,25,38H,10-15,17-19H2,1-7H3,(H2,35,36,40)/t25-,29-,30-,31+,32-,33+/m1/s1
定義日:2023-11-29
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:methyl 3-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]oxetane-3-carboxylate
YI7
YI7
表記:(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid
組成式:C39 H44 Cl F N4 O5
SMILES:Fc1ccc2c(c1)cccc2OCCCc1c2ccc(Cl)c3c4c(CC)n(C)nc4C(CCN4CCOCC4)OCCCCn(c1C(=O)O)c23
InChi:InChI=1S/C39H44ClFN4O5/c1-3-31-35-34-30(40)14-13-29-28(9-7-21-49-32-10-6-8-25-24-26(41)11-12-27(25)32)38(39(46)47)45(37(29)34)16-4-5-20-50-33(36(35)42-43(31)2)15-17-44-18-22-48-23-19-44/h6,8,10-14,24,33H,3-5,7,9,15-23H2,1-2H3,(H,46,47)/t33-/m1/s1
定義日:2023-06-19
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:(3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid
SOU
SOU
表記:[(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate
組成式:C12 H20 O2
SMILES:CC(=O)OCC=C(C)CCC=C(C)C
InChi:InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
定義日:2023-04-13
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:[(2~{E})-3,7-dimethylocta-2,6-dienyl] ethanoate
G3Y
G3Y
表記:(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
組成式:C12 H15 N O3 S
SMILES:N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O
InChi:InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1
定義日:2021-12-16
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:(1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol
A1ASN
A1ASN
表記:[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C31 H34 N2 O3
SMILES:CCCN1CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C31H34N2O3/c1-2-16-32-19-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)17-25(28)18-31(14-15-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,17,22,29,34H,2,14-16,18-21H2,1H3/t29-/m1/s1
定義日:2024-05-20
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
A1AU0
A1AU0
表記:(2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid
組成式:C19 H23 N O4
SMILES:O=C(O)C(Oc1ccccc1)CNC(=O)C1CC2CCC1C12CC1
InChi:InChI=1S/C19H23NO4/c21-17(14-10-12-6-7-15(14)19(12)8-9-19)20-11-16(18(22)23)24-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21)(H,22,23)/t12-,14?,15-,16+/m0/s1
定義日:2024-06-12
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:(2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid
A1AU1
A1AU1
表記:3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide
組成式:C15 H9 Cl2 F N2 O3 S
SMILES:Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21
InChi:InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H
定義日:2024-06-12
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide
A1AU5
A1AU5
表記:N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
組成式:C16 H15 Cl N2 O4 S
SMILES:Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O
InChi:InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3
定義日:2024-06-13
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
A1AUT
A1AUT
表記:3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide
組成式:C14 H10 Cl2 N2 O3 S2
SMILES:Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl
InChi:InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3
定義日:2024-06-10
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide
A1AUZ
A1AUZ
表記:N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide
組成式:C12 H9 Cl N4 O4 S2
SMILES:CC=1ONC(=O)C=1S(=O)(=O)Nc1cccc(c1)c1nnsc1Cl
InChi:InChI=1S/C12H9ClN4O4S2/c1-6-10(12(18)15-21-6)23(19,20)16-8-4-2-3-7(5-8)9-11(13)22-17-14-9/h2-5,16H,1H3,(H,15,18)
定義日:2024-06-12
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide
A1D8M
A1D8M
表記:4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide
組成式:C25 H26 F N3 O5
SMILES:CC[CH](Oc1ccc(cc1)C(=O)C2CC2)c3onc(n3)c4ccc(C(=O)N[CH](C)CO)c(F)c4
InChi:InChI=1S/C25H26FN3O5/c1-3-21(33-18-9-6-16(7-10-18)22(31)15-4-5-15)25-28-23(29-34-25)17-8-11-19(20(26)12-17)24(32)27-14(2)13-30/h6-12,14-15,21,30H,3-5,13H2,1-2H3,(H,27,32)/t14-,21-/m1/s1
別名:Firuglipel
定義日:2024-06-04
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:4-[5-[(1~{R})-1-(4-cyclopropylcarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl]-2-fluoranyl-~{N}-[(2~{R})-1-oxidanylpropan-2-yl]benzamide
A1D8Y
A1D8Y
表記:5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
組成式:C23 H28 N4 O4 S
SMILES:CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O
InChi:InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3
別名:GSK1292263
定義日:2024-06-07
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
A1H0G
A1H0G
表記:1-benzothiophen-5-amine
組成式:C8 H7 N S
SMILES:Nc1ccc2sccc2c1
InChi:InChI=1S/C8H7NS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H,9H2
定義日:2023-12-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:1-benzothiophen-5-amine
A1H0J
A1H0J
表記:(1~{R})-1-(4-iodophenyl)ethanamine
組成式:C8 H10 I N
SMILES:C[CH](N)c1ccc(I)cc1
InChi:InChI=1S/C8H10IN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
定義日:2023-12-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:(1~{R})-1-(4-iodophenyl)ethanamine
A1H0M
A1H0M
表記:6-bromanyl-1,3-benzothiazol-2-amine
組成式:C7 H5 Br N2 S
SMILES:Nc1sc2cc(Br)ccc2n1
InChi:InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
定義日:2023-12-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:6-bromanyl-1,3-benzothiazol-2-amine
A1H0N
A1H0N
表記:(1~{R})-1-(4-bromophenyl)ethanamine
組成式:C8 H10 Br N
SMILES:C[CH](N)c1ccc(Br)cc1
InChi:InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
定義日:2023-12-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:(1~{R})-1-(4-bromophenyl)ethanamine
A1H1S
A1H1S
表記:2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
組成式:C17 H12 N6 O S
SMILES:Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccc(O)cc3)c1C#N
InChi:InChI=1S/C17H12N6OS/c18-7-12-15(10-1-3-11(24)4-2-10)13(8-19)17(23-16(12)20)25-9-14-21-5-6-22-14/h1-6,24H,9H2,(H2,20,23)(H,21,22)
定義日:2024-01-03
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:2-azanyl-4-(4-hydroxyphenyl)-6-(1~{H}-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
A1AEU
A1AEU
表記:1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one
組成式:C20 H25 F3 N2 O2
SMILES:FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3CCOCC3)N(C)c2cc1
InChi:InChI=1S/C20H25F3N2O2/c1-24-17-3-2-15(20(21,22)23)12-16(17)18(26)19(24)6-8-25(9-7-19)13-14-4-10-27-11-5-14/h2-3,12,14H,4-11,13H2,1H3
定義日:2024-02-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one
A1AEV
A1AEV
表記:1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
組成式:C21 H26 F3 N3 O3
SMILES:FC(F)(F)c1ccc(cc1)N1C(=O)C2(CCN(CC2)CC2CCOCC2)N(C)C1=O
InChi:InChI=1S/C21H26F3N3O3/c1-25-19(29)27(17-4-2-16(3-5-17)21(22,23)24)18(28)20(25)8-10-26(11-9-20)14-15-6-12-30-13-7-15/h2-5,15H,6-14H2,1H3
定義日:2024-02-15
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
A1AFC
A1AFC
表記:2,4,5-trimethyl-1,3-thiazole
組成式:C6 H9 N S
SMILES:Cc1sc(C)nc1C
InChi:InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3
定義日:2024-02-22
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:2,4,5-trimethyl-1,3-thiazole
LRL
LRL
表記:~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
組成式:C25 H24 N4 O2 S
SMILES:O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45
InChi:InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1
定義日:2022-07-11
最終更新日:2024-06-14
公開日:2024-06-19
識別子（ID）:~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide

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件を2024-07-10に公開中

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