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JOE
JOE
表記:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
組成式:C12 H9 N3 O7
SMILES:OC(=O)c1c(cccc1[N+]([O-])=O)C(=O)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C12H9N3O7/c16-8-4-6(11(18)14-8)13-10(17)5-2-1-3-7(15(21)22)9(5)12(19)20/h1-3,6H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t6-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-6-nitro-benzoic acid
JOH
JOH
表記:2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
組成式:C12 H7 N3 O6
SMILES:[O-][N+](=O)c1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
InChi:InChI=1S/C12H7N3O6/c16-8-4-7(10(17)13-8)14-11(18)5-2-1-3-6(15(20)21)9(5)12(14)19/h1-3,7H,4H2,(H,13,16,17)/t7-/m0/s1
定義日:2019-03-13
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-4-nitro-isoindole-1,3-dione
JOK
JOK
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
組成式:C13 H14 N2 O3
SMILES:O=C(CCc1ccccc1)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-phenyl-propanamide
JON
JON
表記:[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C10 H15 N3 O4
SMILES:O=C1C[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:InChI=1S/C10H15N3O4/c14-8-4-7(9(15)13-8)12-10(16)17-5-6-2-1-3-11-6/h6-7,11H,1-5H2,(H,12,16)(H,13,14,15)/t6-,7-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JOQ
JOQ
表記:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C13 H15 N3 O4
SMILES:NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JOT
JOT
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
組成式:C12 H12 N2 O3
SMILES:O=C1C[CH](NC(=O)Cc2ccccc2)C(=O)N1
InChi:InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2-phenyl-ethanamide
JOW
JOW
表記:4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
組成式:C17 H19 N3 O7
SMILES:OC(=O)CCC(=O)NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1
InChi:InChI=1S/C17H19N3O7/c21-13(5-6-15(23)24)18-8-10-1-3-11(4-2-10)9-27-17(26)19-12-7-14(22)20-16(12)25/h1-4,12H,5-9H2,(H,18,21)(H,19,26)(H,23,24)(H,20,22,25)/t12-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:4-[[4-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyloxymethyl]phenyl]methylamino]-4-oxidanylidene-butanoic acid
JP5
JP5
表記:(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
組成式:C12 H12 N2 O4
SMILES:O=C1C[CH](NC(=O)OCc2ccccc2)C(=O)N1
InChi:InChI=1S/C12H12N2O4/c15-10-6-9(11(16)14-10)13-12(17)18-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,14,15,16)/t9-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(phenylmethyl) ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate
JP8
JP8
表記:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C11 H17 N3 O4
SMILES:O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1
InChi:InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:[(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JPB
JPB
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
組成式:C11 H7 Cl3 N2 O3
SMILES:Clc1cc(Cl)c(C(=O)N[CH]2CC(=O)NC2=O)c(Cl)c1
InChi:InChI=1S/C11H7Cl3N2O3/c12-4-1-5(13)9(6(14)2-4)11(19)15-7-3-8(17)16-10(7)18/h1-2,7H,3H2,(H,15,19)(H,16,17,18)/t7-/m0/s1
定義日:2019-03-14
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-2,4,6-tris(chloranyl)benzamide
JPQ
JPQ
表記:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
組成式:C9 H12 N2 O3
SMILES:CC(C)=CC(=O)N[CH]1CC(=O)NC1=O
InChi:InChI=1S/C9H12N2O3/c1-5(2)3-7(12)10-6-4-8(13)11-9(6)14/h3,6H,4H2,1-2H3,(H,10,12)(H,11,13,14)/t6-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-3-methyl-but-2-enamide
JPW
JPW
表記:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
組成式:C13 H21 N3 O4
SMILES:N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O
InChi:InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate
JQP
JQP
表記:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c2(nc(Nc1cc(C)cc(C)c1)ncc2)c5c(c3ccc(F)cc3)ncn5C4CCNCC4
InChi:InChI=1S/C26H27FN6/c1-17-13-18(2)15-21(14-17)31-26-29-12-9-23(32-26)25-24(19-3-5-20(27)6-4-19)30-16-33(25)22-7-10-28-11-8-22/h3-6,9,12-16,22,28H,7-8,10-11H2,1-2H3,(H,29,31,32)
定義日:2018-09-17
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
JQY
JQY
表記:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
組成式:C26 H27 F N6
SMILES:c4(c3c(c1ccc(F)cc1)ncn3C2CCNCC2)ccnc(n4)Nc5ccc(c(C)c5)C
InChi:InChI=1S/C26H27FN6/c1-17-3-8-21(15-18(17)2)31-26-29-14-11-23(32-26)25-24(19-4-6-20(27)7-5-19)30-16-33(25)22-9-12-28-13-10-22/h3-8,11,14-16,22,28H,9-10,12-13H2,1-2H3,(H,29,31,32)
定義日:2018-09-18
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(3,4-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
LUY
LUY
表記:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
組成式:C15 H15 N3
SMILES:C(Cc1ccccc1)Nc2[nH]c3ccccc3n2
InChi:InChI=1S/C15H15N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-9H,10-11H2,(H2,16,17,18)
定義日:2019-03-15
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
NQ7
NQ7
表記:(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
組成式:C13 H13 N3 O2
SMILES:c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
InChi:InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,11,15H,1H3,(H2,14,16,17)/t7-,11+/m1/s1
定義日:2019-05-23
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
NSJ
NSJ
表記:3-[(thiomorpholin-4-yl)methyl]phenol
組成式:C11 H15 N O S
SMILES:N1(CCSCC1)Cc2cccc(c2)O
InChi:InChI=1S/C11H15NOS/c13-11-3-1-2-10(8-11)9-12-4-6-14-7-5-12/h1-3,8,13H,4-7,9H2
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:3-[(thiomorpholin-4-yl)methyl]phenol
NT7
NT7
表記:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
組成式:C14 H20 N2 O2
SMILES:N(C(=O)CN1CCOCC1)c2cccc(c2C)C
InChi:InChI=1S/C14H20N2O2/c1-11-4-3-5-13(12(11)2)15-14(17)10-16-6-8-18-9-7-16/h3-5H,6-10H2,1-2H3,(H,15,17)
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide
NTG
NTG
表記:5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
組成式:C11 H13 N3 O
SMILES:N#Cc2ncc(N1CCCOCC1)cc2
InChi:InChI=1S/C11H13N3O/c12-8-10-2-3-11(9-13-10)14-4-1-6-15-7-5-14/h2-3,9H,1,4-7H2
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile
NTV
NTV
表記:(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
組成式:C12 H14 Cl N O2
SMILES:N(C(=O)C1CCCO1)c2cccc(c2C)Cl
InChi:InChI=1S/C12H14ClNO2/c1-8-9(13)4-2-5-10(8)14-12(15)11-6-3-7-16-11/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)/t11-/m0/s1
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide
NU4
NU4
表記:2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
組成式:C11 H10 N2 O2
SMILES:N(c1ccncc1)C(c2ccoc2C)=O
InChi:InChI=1S/C11H10N2O2/c1-8-10(4-7-15-8)11(14)13-9-2-5-12-6-3-9/h2-7H,1H3,(H,12,13,14)
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:2-methyl-N-(pyridin-4-yl)furan-3-carboxamide
NUJ
NUJ
表記:trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
組成式:C11 H17 N3 O
SMILES:N(c1nc(C)nc(c1)C)(C)C2CC(C2)O
InChi:InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol
NUM
NUM
表記:N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
組成式:C14 H14 N2 O2
SMILES:N(C(c1ccccn1)=O)CCc2ccc(cc2)O
InChi:InChI=1S/C14H14N2O2/c17-12-6-4-11(5-7-12)8-10-16-14(18)13-3-1-2-9-15-13/h1-7,9,17H,8,10H2,(H,16,18)
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide
NV7
NV7
表記:1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
組成式:C10 H16 N2 O3 S
SMILES:N2(CCN(Cc1occc1)CC2)S(C)(=O)=O
InChi:InChI=1S/C10H16N2O3S/c1-16(13,14)12-6-4-11(5-7-12)9-10-3-2-8-15-10/h2-3,8H,4-7,9H2,1H3
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine
NVD
NVD
表記:N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
組成式:C11 H15 N5
SMILES:N(C)(C)c2ccc(CNn1cnnc1)cc2
InChi:InChI=1S/C11H15N5/c1-15(2)11-5-3-10(4-6-11)7-14-16-8-12-13-9-16/h3-6,8-9,14H,7H2,1-2H3
定義日:2019-05-28
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine

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