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Q8J
Q8J
表記:4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
組成式:C24 H30 N6 O2
SMILES:C(N1CCN(CC1)C(=O)Nc5cc(c3cn(C2CCOCC2)c4cnccc34)ccn5)C
InChi:InChI=1S/C24H30N6O2/c1-2-28-9-11-29(12-10-28)24(31)27-23-15-18(3-8-26-23)21-17-30(19-5-13-32-14-6-19)22-16-25-7-4-20(21)22/h3-4,7-8,15-17,19H,2,5-6,9-14H2,1H3,(H,26,27,31)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide
QCG
QCG
表記:(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
組成式:C29 H30 F N3 O4
SMILES:c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3ccccc3)nn45)C(C(O)=O)OC(C)(C)C)C
InChi:InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1
定義日:2019-10-14
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
KJE
KJE
表記:18-carboxymethoxy-cleaviminium
組成式:C21 H25 N2 O2
SMILES:CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
定義日:2019-05-22
最終更新日:2020-02-28
公開日:2020-03-04
LKY
LKY
表記:3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
組成式:C27 H31 F N4 O2
SMILES:c1(c(cc(cc1CN2CC(C)N(CC2)C(C3CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C
InChi:InChI=1S/C27H31FN4O2/c1-18-16-31(10-11-32(18)27(34)21-7-3-4-8-21)17-23-13-24(28)14-25(19(23)2)30-26(33)22-9-5-6-20(12-22)15-29/h5-6,9,12-14,18,21H,3-4,7-8,10-11,16-17H2,1-2H3,(H,30,33)/t18-/m0/s1
定義日:2019-02-28
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
LMV
LMV
表記:(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
組成式:C24 H28 Cl2 N2 O4 S
SMILES:CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl
InChi:InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1
定義日:2019-03-04
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
NG8
NG8
表記:3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide
組成式:C16 H21 B F2 N3 O
SMILES:CCNC(=O)CCc1ccc2Cc3n(c(C)cc3C)[B-](F)(F)n12
InChi:InChI=1S/C16H21BF2N3O/c1-4-20-16(23)8-7-13-5-6-14-10-15-11(2)9-12(3)21(15)17(18,19)22(13)14/h5-6,9H,4,7-8,10H2,1-3H3,(H,20,23)/q-1
定義日:2019-11-29
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide
NJ5
NJ5
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
組成式:C25 H42 N4 O18 P2
SMILES:CCCC(=O)NCCCCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
InChi:InChI=1S/C25H42N4O18P2/c1-2-6-15(31)26-9-5-3-4-7-16(32)27-18-21(36)19(34)13(11-30)45-24(18)46-49(41,42)47-48(39,40)43-12-14-20(35)22(37)23(44-14)29-10-8-17(33)28-25(29)38/h8,10,13-14,18-24,30,34-37H,2-7,9,11-12H2,1H3,(H,26,31)(H,27,32)(H,39,40)(H,41,42)(H,28,33,38)/t13-,14-,18-,19-,20-,21-,22-,23-,24-/m1/s1
定義日:2019-11-29
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S},6~{R})-3-[6-(butanoylamino)hexanoylamino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
J9Q
J9Q
表記:2-(1,3-oxazol-5-yl)aniline
組成式:C9 H8 N2 O
SMILES:Nc1ccccc1c2ocnc2
InChi:InChI=1S/C9H8N2O/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2
定義日:2019-02-12
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:2-(1,3-oxazol-5-yl)aniline
JAW
JAW
表記:1~{H}-indole-5-carboxamide
組成式:C9 H8 N2 O
SMILES:NC(=O)c1ccc2[nH]ccc2c1
InChi:InChI=1S/C9H8N2O/c10-9(12)7-1-2-8-6(5-7)3-4-11-8/h1-5,11H,(H2,10,12)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1~{H}-indole-5-carboxamide
JBB
JBB
表記:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
組成式:C12 H10 O2 S2
SMILES:OC(=O)c1cccc(CSc2sccc2)c1
InChi:InChI=1S/C12H10O2S2/c13-12(14)10-4-1-3-9(7-10)8-16-11-5-2-6-15-11/h1-7H,8H2,(H,13,14)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-(thiophen-2-ylsulfanylmethyl)benzoic acid
JBN
JBN
表記:1,2-oxazole-5-carboxamide
組成式:C4 H4 N2 O2
SMILES:NC(=O)c1oncc1
InChi:InChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
定義日:2019-02-13
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:1,2-oxazole-5-carboxamide
M0Q
M0Q
表記:~{N}-methyl-1,6-naphthyridin-4-amine
組成式:C9 H9 N3
SMILES:CNc1ccnc2ccncc12
InChi:InChI=1S/C9H9N3/c1-10-8-3-5-12-9-2-4-11-6-7(8)9/h2-6H,1H3,(H,10,12)
定義日:2019-10-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-methyl-1,6-naphthyridin-4-amine
M1Q
M1Q
表記:5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
組成式:C8 H10 N2 O2
SMILES:O=C1NC(=O)[CH]2CCCCC2=N1
InChi:InChI=1S/C8H10N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h5H,1-4H2,(H,10,11,12)/t5-/m0/s1
定義日:2019-10-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione
M1Z
M1Z
表記:6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
組成式:C8 H11 N3 O2
SMILES:O=C1CC(=NC(=O)N1)N2CCCC2
InChi:InChI=1S/C8H11N3O2/c12-7-5-6(9-8(13)10-7)11-3-1-2-4-11/h1-5H2,(H,10,12,13)
定義日:2019-10-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione
M3E
M3E
表記:6-phenyl-1~{H}-pyrimidine-2,4-dione
組成式:C10 H8 N2 O2
SMILES:O=C1NC(=O)C=C(N1)c2ccccc2
InChi:InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
定義日:2019-10-02
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:6-phenyl-1~{H}-pyrimidine-2,4-dione
M3H
M3H
表記:2-phenyl-4,5-dihydro-1~{H}-imidazole
組成式:C9 H10 N2
SMILES:C1CN=C(N1)c2ccccc2
InChi:InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:2-phenyl-4,5-dihydro-1~{H}-imidazole
M45
M45
表記:~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
組成式:C6 H11 N5
SMILES:C1CN[CH](C1)Nc2[nH]ncn2
InChi:InChI=1S/C6H11N5/c1-2-5(7-3-1)10-6-8-4-9-11-6/h4-5,7H,1-3H2,(H2,8,9,10,11)/t5-/m0/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine
M4B
M4B
表記:6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
組成式:C11 H9 N3 O3
SMILES:CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
InChi:InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
M4E
M4E
表記:~{N}-methyl-2~{H}-indazole-3-carboxamide
組成式:C9 H9 N3 O
SMILES:CNC(=O)c1n[nH]c2ccccc12
InChi:InChI=1S/C9H9N3O/c1-10-9(13)8-6-4-2-3-5-7(6)11-12-8/h2-5H,1H3,(H,10,13)(H,11,12)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-methyl-1~{H}-indazole-3-carboxamide
M4K
M4K
表記:6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
組成式:C15 H17 N3 O2
SMILES:O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3
InChi:InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
M4N
M4N
表記:~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
組成式:C11 H11 N3 O
SMILES:CNC(=O)c1[nH]nc(c1)c2ccccc2
InChi:InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
M58
M58
表記:(~{R})-azanyl(pyridin-3-yl)methanethiol
組成式:C6 H8 N2 S
SMILES:N[CH](S)c1cccnc1
InChi:InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(~{R})-azanyl(pyridin-3-yl)methanethiol
M5B
M5B
表記:~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
組成式:C7 H7 N3 O2 S2
SMILES:O=[S](=O)(Nc1[nH]ccn1)c2sccc2
InChi:InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
M5E
M5E
表記:(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
組成式:C11 H15 N O
SMILES:O[CH]([CH]1CCCN1)c2ccccc2
InChi:InChI=1S/C11H15NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-3,5-6,10-13H,4,7-8H2/t10-,11-/m0/s1
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:(~{S})-phenyl-[(2~{S})-pyrrolidin-2-yl]methanol
M5H
M5H
表記:3-imidazolidin-2-yl-2~{H}-indazole
組成式:C10 H12 N4
SMILES:C1CNC(N1)c2[nH]nc3ccccc23
InChi:InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
定義日:2019-10-03
最終更新日:2020-02-28
公開日:2020-03-04
識別子（ID）:3-imidazolidin-2-yl-2~{H}-indazole

238582

件を2025-07-09に公開中

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