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RY5
RY5
表記:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
組成式:C15 H12 Cl N3 O3
SMILES:Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
InChi:InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1
定義日:2020-11-02
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
QRT
QRT
表記:[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C10 H14 N3 O10 P
SMILES:NC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C10H14N3O10P/c11-8(17)3-1-5(14)12-10(18)13(3)9-7(16)6(15)4(23-9)2-22-24(19,20)21/h1,4,6-7,9,15-16H,2H2,(H2,11,17)(H,12,14,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
定義日:2020-07-31
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
UE8
UE8
表記:2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one
組成式:C10 H12 N4 O2 S
SMILES:O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13
InChi:InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1
別名:3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one
定義日:2021-02-11
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one
QRZ
QRZ
表記:[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
組成式:C10 H14 N3 O9 P S
SMILES:NC(=S)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:InChI=1S/C10H14N3O9PS/c11-8(24)3-1-5(14)12-10(17)13(3)9-7(16)6(15)4(22-9)2-21-23(18,19)20/h1,4,6-7,9,15-16H,2H2,(H2,11,24)(H,12,14,17)(H2,18,19,20)/t4-,6-,7-,9-/m1/s1
定義日:2020-07-31
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
UEB
UEB
表記:(S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
組成式:C20 H18 N4 O S
SMILES:N[CH](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34
InChi:InChI=1S/C20H18N4OS/c21-17(13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-24-16-10-11-22-18(16)19(25)23-20(24)26/h1-11,17,22H,12,21H2,(H,23,25,26)/t17-/m1/s1
別名:1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
定義日:2021-02-11
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
YFA
YFA
表記:(2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
組成式:C31 H28 F N5 O2 S
SMILES:C(C(N4C(c3c(c(c2ccc(C1CCN(C)CC1)cc2)ccc3N=C4)F)=O)c5ccccc5)(Nc6nccs6)=O
InChi:InChI=1S/C31H28FN5O2S/c1-36-16-13-21(14-17-36)20-7-9-22(10-8-20)24-11-12-25-26(27(24)32)30(39)37(19-34-25)28(23-5-3-2-4-6-23)29(38)35-31-33-15-18-40-31/h2-12,15,18-19,21,28H,13-14,16-17H2,1H3,(H,33,35,38)/t28-/m1/s1
定義日:2021-02-24
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
XRF
XRF
表記:1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
組成式:C10 H17 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O
InChi:InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m1/s1
定義日:2021-03-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
5KC
5KC
表記:(2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
組成式:C6 H12 N2 O5
SMILES:N[CH]([CH](O)CNCC(O)=O)C(O)=O
InChi:InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1
定義日:2021-08-20
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(2~{S},3~{S})-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic acid
SYH
SYH
表記:2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one
組成式:C14 H16 N4 O
SMILES:C=C1CCN(CC1)C(=O)Cn2nnc3ccccc23
InChi:InChI=1S/C14H16N4O/c1-11-6-8-17(9-7-11)14(19)10-18-13-5-3-2-4-12(13)15-16-18/h2-5H,1,6-10H2
別名:2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethan-1-one
定義日:2020-12-07
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-(benzotriazol-1-yl)-1-(4-methylidenepiperidin-1-yl)ethanone
T0W
T0W
表記:2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide
組成式:C15 H16 N4 O2
SMILES:CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23
InChi:InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3
別名:2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide
定義日:2020-12-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide
YAV
YAV
表記:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
組成式:C46 H40 N2 O10
SMILES:Cc1ccc2oc(C#Cc3cccc(c3)C(=O)NCCOCCOCCNC(=O)c4cccc(c4)C#Cc5oc6ccc(C)cc6c5CC(O)=O)c(CC(O)=O)c2c1
InChi:InChI=1S/C46H40N2O10/c1-29-9-13-39-35(23-29)37(27-43(49)50)41(57-39)15-11-31-5-3-7-33(25-31)45(53)47-17-19-55-21-22-56-20-18-48-46(54)34-8-4-6-32(26-34)12-16-42-38(28-44(51)52)36-24-30(2)10-14-40(36)58-42/h3-10,13-14,23-26H,17-22,27-28H2,1-2H3,(H,47,53)(H,48,54)(H,49,50)(H,51,52)
定義日:2021-02-15
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[2-[2-[3-[2-[2-[2-[[3-[2-[3-(2-hydroxy-2-oxoethyl)-5-methyl-1-benzofuran-2-yl]ethynyl]phenyl]carbonylamino]ethoxy]ethoxy]ethylcarbamoyl]phenyl]ethynyl]-5-methyl-1-benzofuran-3-yl]ethanoic acid
5OI
5OI
表記:(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
組成式:C18 H22 N4 O
SMILES:CC(C)CC(N)c1nc(CC)c2cc(ccc2n1)c1cnco1
InChi:InChI=1S/C18H22N4O/c1-4-15-13-8-12(17-9-20-10-23-17)5-6-16(13)22-18(21-15)14(19)7-11(2)3/h5-6,8-11,14H,4,7,19H2,1-3H3/t14-/m0/s1
定義日:2021-07-21
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
V18
V18
表記:2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C19 H19 N3 O2
SMILES:O=C1N[C]2(C[CH](C2)C3CCC3)C(=O)N1c4cncc5ccccc45
InChi:InChI=1S/C19H19N3O2/c23-17-19(8-14(9-19)12-5-3-6-12)21-18(24)22(17)16-11-20-10-13-4-1-2-7-15(13)16/h1-2,4,7,10-12,14H,3,5-6,8-9H2,(H,21,24)/t14-,19-
定義日:2021-04-06
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione
V1B
V1B
表記:7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C21 H17 N3 O2
SMILES:O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45
InChi:InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+
定義日:2021-04-06
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
5P6
5P6
表記:2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile
組成式:C20 H20 N4
SMILES:CC(C)CC(N)c1cc(C#N)c2cc(ccc2n1)c1ccncc1
InChi:InChI=1S/C20H20N4/c1-13(2)9-18(22)20-11-16(12-21)17-10-15(3-4-19(17)24-20)14-5-7-23-8-6-14/h3-8,10-11,13,18H,9,22H2,1-2H3/t18-/m0/s1
定義日:2021-07-21
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-[(1S)-1-amino-3-methylbutyl]-6-(pyridin-4-yl)quinoline-4-carbonitrile
5QI
5QI
表記:N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
組成式:C16 H19 F2 N3 O3
SMILES:CC(C)CC(N)C(=O)Nc1cc(OC(F)F)c(cc1)c1cnco1
InChi:InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1
定義日:2021-07-21
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
U7W
U7W
表記:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
組成式:C16 H16 N4 O S
SMILES:C[CH]1N(CCc2sccc12)C(=O)Cn3nnc4ccccc34
InChi:InChI=1S/C16H16N4OS/c1-11-12-7-9-22-15(12)6-8-19(11)16(21)10-20-14-5-3-2-4-13(14)17-18-20/h2-5,7,9,11H,6,8,10H2,1H3/t11-/m0/s1
定義日:2021-01-28
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone
TU8
TU8
表記:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
組成式:C16 H12 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O
InChi:InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1
定義日:2021-01-13
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
U9H
U9H
表記:2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
組成式:C15 H16 F N3 O2
SMILES:Fc1cncc(c1)N2C(=O)N[C]3(C[CH](C3)C4CCC4)C2=O
InChi:InChI=1S/C15H16FN3O2/c16-11-4-12(8-17-7-11)19-13(20)15(18-14(19)21)5-10(6-15)9-2-1-3-9/h4,7-10H,1-3,5-6H2,(H,18,21)/t10-,15-
別名:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
定義日:2021-02-04
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:2-cyclobutyl-7-(5-fluoranylpyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
U9T
U9T
表記:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
組成式:C15 H21 F N2 O
SMILES:CC1CCN(CC1)C(=O)NCCc2ccccc2F
InChi:InChI=1S/C15H21FN2O/c1-12-7-10-18(11-8-12)15(19)17-9-6-13-4-2-3-5-14(13)16/h2-5,12H,6-11H2,1H3,(H,17,19)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
U9W
U9W
表記:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
組成式:C13 H17 Cl N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(Cl)cc2
InChi:InChI=1S/C13H17ClN2O/c1-10-6-8-16(9-7-10)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
U9Z
U9Z
表記:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
組成式:C14 H17 F3 N2 O
SMILES:CC1CCN(CC1)C(=O)Nc2ccc(cc2)C(F)(F)F
InChi:InChI=1S/C14H17F3N2O/c1-10-6-8-19(9-7-10)13(20)18-12-4-2-11(3-5-12)14(15,16)17/h2-5,10H,6-9H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
UA8
UA8
表記:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
組成式:C14 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCCC2
InChi:InChI=1S/C14H26N2O/c1-12-8-10-16(11-9-12)14(17)15-13-6-4-2-3-5-7-13/h12-13H,2-11H2,1H3,(H,15,17)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
UAB
UAB
表記:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
組成式:C17 H26 N2 O
SMILES:CC1CCN(CC1)C(=O)NCCCCc2ccccc2
InChi:InChI=1S/C17H26N2O/c1-15-10-13-19(14-11-15)17(20)18-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,18,20)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
UAE
UAE
表記:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
組成式:C13 H24 N2 O
SMILES:CC1CCN(CC1)C(=O)NC2CCCCC2
InChi:InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
定義日:2021-02-09
最終更新日:2022-02-18
公開日:2022-02-23
識別子（ID）:~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide

243911

件を2025-10-29に公開中

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