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JLH
JLH
表記:(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
組成式:C31 H35 Cl N4 O4 S
SMILES:CCc1sc2ncnc(O[CH](Cc3ccccc3)C(O)=O)c2c1c4ccc(OCCN5CCN(C)CC5)c(Cl)c4C
InChi:InChI=1S/C31H35ClN4O4S/c1-4-25-26(22-10-11-23(28(32)20(22)2)39-17-16-36-14-12-35(3)13-15-36)27-29(33-19-34-30(27)41-25)40-24(31(37)38)18-21-8-6-5-7-9-21/h5-11,19,24H,4,12-18H2,1-3H3,(H,37,38)/t24-/m1/s1
定義日:2019-03-09
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
JLK
JLK
表記:(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
組成式:C24 H23 N3 O2 S
SMILES:CCc1sc2ncnc(N[CH](Cc3ccccc3)C(O)=O)c2c1c4ccccc4C
InChi:InChI=1S/C24H23N3O2S/c1-3-19-20(17-12-8-7-9-15(17)2)21-22(25-14-26-23(21)30-19)27-18(24(28)29)13-16-10-5-4-6-11-16/h4-12,14,18H,3,13H2,1-2H3,(H,28,29)(H,25,26,27)/t18-/m1/s1
定義日:2019-03-11
最終更新日:2019-08-02
公開日:2019-08-07
識別子（ID）:(2~{R})-2-[[6-ethyl-5-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-3-phenyl-propanoic acid
JNW
JNW
表記:2-[[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
組成式:C13 H12 N2 O5
SMILES:OC(=O)c1ccccc1C(=O)N[CH]2CCC(=O)NC2=O
InChi:InChI=1S/C13H12N2O5/c16-10-6-5-9(12(18)15-10)14-11(17)7-3-1-2-4-8(7)13(19)20/h1-4,9H,5-6H2,(H,14,17)(H,19,20)(H,15,16,18)/t9-/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})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamoyl]benzoic acid
JO2
JO2
表記:2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid
組成式:C12 H9 N3 O7
SMILES:OC(=O)c1ccc(cc1C(=O)N[CH]2CC(=O)NC2=O)[N+]([O-])=O
InChi:InChI=1S/C12H9N3O7/c16-9-4-8(11(18)14-9)13-10(17)7-3-5(15(21)22)1-2-6(7)12(19)20/h1-3,8H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t8-/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]-4-nitro-benzoic acid
JO5
JO5
表記:4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
組成式:C12 H9 N3 O4
SMILES:Nc1cccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c12
InChi:InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/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）:4-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
JO8
JO8
表記:3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
組成式:C12 H11 N3 O5
SMILES:Nc1cccc(C(O)=O)c1C(=O)N[CH]2CC(=O)NC2=O
InChi:InChI=1S/C12H11N3O5/c13-6-3-1-2-5(12(19)20)9(6)11(18)14-7-4-8(16)15-10(7)17/h1-3,7H,4,13H2,(H,14,18)(H,19,20)(H,15,16,17)/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）:3-azanyl-2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]benzoic acid
JOB
JOB
表記:5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
組成式:C12 H9 N3 O4
SMILES:Nc1ccc2C(=O)N([CH]3CC(=O)NC3=O)C(=O)c2c1
InChi:InChI=1S/C12H9N3O4/c13-5-1-2-6-7(3-5)12(19)15(11(6)18)8-4-9(16)14-10(8)17/h1-3,8H,4,13H2,(H,14,16,17)/t8-/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）:5-azanyl-2-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]isoindole-1,3-dione
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
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
LAJ
LAJ
表記:N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
組成式:C18 H18 N6 O3 S
SMILES:c3(Nc1nnc(c(c1)Nc2c(cccc2)S(C)(=O)=O)C(NC)=O)ccccn3
InChi:InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23)
定義日:2019-02-15
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
LB4
LB4
表記:6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
組成式:C27 H26 F N7 O3
SMILES:c4c(Nc1ncc(C(NC)=O)c(c1)Nc2cccc(c2OC)C(NCc3ccccn3)=O)ncc(c4C)F
InChi:InChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35)
定義日:2019-02-15
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
LB7
LB7
表記:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
組成式:C20 H22 N8 O3
SMILES:C(Nc1nnc(c(c1)Nc3c(c(c2nn(C)cn2)ccc3)OC)C(NC)=O)(C4CC4)=O
InChi:InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)
定義日:2019-02-15
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
GK2
GK2
表記:[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
組成式:C9 H19 B N2 O3
SMILES:CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O
InChi:InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1
定義日:2018-09-19
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:[(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid
FL5
FL5
表記:12-(dimethylamino)-3,10-diethyl-N,N,N-trimethyl-3,10-dihydrodibenzo[3,4:7,8]cycloocta[1,2-d:5,6-d']bis([1,2,3]triazole)-5-aminium
組成式:C25 H31 N8
SMILES:CCn1nnc2c3ccc(cc3c4n(CC)nnc4c5ccc(cc5c12)N(C)C)[N+](C)(C)C
InChi:InChI=1S/C25H31N8/c1-8-31-24-20-14-16(30(3)4)10-12-18(20)22-25(32(9-2)29-26-22)21-15-17(33(5,6)7)11-13-19(21)23(24)27-28-31/h10-15H,8-9H2,1-7H3/q+1/b22-18+,23-19+,24-20+,25-21+
定義日:2018-07-19
最終更新日:2019-07-26
公開日:2019-07-31
JWY
JWY
表記:N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea
組成式:C24 H21 Cl F N5 O2
SMILES:c2c(NC(Nc1ccccc1)=O)c(cc(c2C=3C(=O)N(c4c(C=3)cnc(c4)NC)CC)Cl)F
InChi:InChI=1S/C24H21ClFN5O2/c1-3-31-21-12-22(27-2)28-13-14(21)9-17(23(31)32)16-10-20(19(26)11-18(16)25)30-24(33)29-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,27,28)(H2,29,30,33)
定義日:2018-10-05
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea
K5H
K5H
表記:(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
組成式:C6 H10 F3 N O4 S
SMILES:N[CH](CSCC(O)(O)C(F)(F)F)C(O)=O
InChi:InChI=1S/C6H10F3NO4S/c7-6(8,9)5(13,14)2-15-1-3(10)4(11)12/h3,13-14H,1-2,10H2,(H,11,12)/t3-/m0/s1
定義日:2019-04-26
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:(2~{R})-2-azanyl-3-[3,3,3-tris(fluoranyl)-2,2-bis(oxidanyl)propyl]sulfanyl-propanoic acid
KJ4
KJ4
表記:N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine
組成式:C24 H46 N10
SMILES:C(CCC2CN(CCN(C)CCn1ccnc1N)C(=N)N2CCCC3CCCCC3)NC(=N)N
InChi:InChI=1S/C24H46N10/c1-31(15-17-32-14-12-30-23(32)27)16-18-33-19-21(10-5-11-29-22(25)26)34(24(33)28)13-6-9-20-7-3-2-4-8-20/h12,14,20-21,28H,2-11,13,15-19H2,1H3,(H2,27,30)(H4,25,26,29)/b28-24-/t21-/m0/s1
定義日:2018-12-11
最終更新日:2019-07-26
公開日:2019-07-31
識別子（ID）:N-{3-[(2Z,4S)-1-(2-{[2-(2-amino-1H-imidazol-1-yl)ethyl](methyl)amino}ethyl)-3-(3-cyclohexylpropyl)-2-iminoimidazolidin-4-yl]propyl}guanidine

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件を2024-07-17に公開中

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