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TE0
TE0
表記:1-(ethanesulfonyl)piperidine-4-carboxylic acid
組成式:C8 H15 N O4 S
SMILES:O=S(=O)(CC)N1CCC(CC1)C(=O)O
InChi:InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:1-(ethanesulfonyl)piperidine-4-carboxylic acid
TJ0
TJ0
表記:4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
組成式:C12 H11 F3 N2 O2
SMILES:O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F
InChi:InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18)
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
TKI
TKI
表記:2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
組成式:C10 H16 N4 O2
SMILES:CCc1nc(CC)nc(n1)N(C)CC(O)=O
InChi:InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
別名:2-(N-methyl-N-(4,6-divinyl-1,3,5-triazin-2-yl)amino)acetic acid (precursor)
定義日:2023-01-06
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid
TKM
TKM
表記:1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
組成式:C9 H12 N2 O3
SMILES:O=C(O)c1ccnn1C1CCOCC1
InChi:InChI=1S/C9H12N2O3/c12-9(13)8-1-4-10-11(8)7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H,12,13)
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:1-(oxan-4-yl)-1H-pyrazole-5-carboxylic acid
TM0
TM0
表記:(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
組成式:C11 H13 N3 O
SMILES:CC(N)c1nc(Cc2ccccc2)no1
InChi:InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine
TNU
TNU
表記:(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
組成式:C9 H15 N3 O S
SMILES:Cc1nc(sn1)N1CCOC(C)C1C
InChi:InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
TQC
TQC
表記:(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
組成式:C10 H12 N4 O
SMILES:Cn1ccnc1c1nc(on1)C1CCC1
InChi:InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
TT3
TT3
表記:2-(3-fluorophenoxy)-N,N-dimethylacetamide
組成式:C10 H12 F N O2
SMILES:CN(C)C(=O)COc1cccc(F)c1
InChi:InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:2-(3-fluorophenoxy)-N,N-dimethylacetamide
TU6
TU6
表記:[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
組成式:C11 H17 N3 O
SMILES:Cc1cc(nc(CO)n1)N1CCCCC1
InChi:InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
TV9
TV9
表記:N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
組成式:C11 H14 N2 O
SMILES:CC(NC(=O)C1CC1)c1cccnc1
InChi:InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
TVR
TVR
表記:(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
組成式:C10 H12 F N3 O
SMILES:Fc1cccnc1N1CC(=O)NC(C)C1
InChi:InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
TWR
TWR
表記:2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
組成式:C10 H13 F N2 O2
SMILES:CN(C)C(=O)COc1ccc(N)c(F)c1
InChi:InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
TZR
TZR
表記:1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one
組成式:C13 H17 N O2
SMILES:OCC1CN(CC1c1ccccc1)C(=O)C
InChi:InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1
定義日:2023-08-28
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one
U1I
U1I
表記:methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
組成式:C13 H17 N O2
SMILES:COC(=O)C1(CCNC1)c1ccc(C)cc1
InChi:InChI=1S/C13H17NO2/c1-10-3-5-11(6-4-10)13(12(15)16-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3/t13-/m0/s1
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:methyl (3R)-3-(4-methylphenyl)pyrrolidine-3-carboxylate
U1X
U1X
表記:N-phenylpyrrolidine-1-carboxamide
組成式:C11 H14 N2 O
SMILES:O=C(Nc1ccccc1)N1CCCC1
InChi:InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:N-phenylpyrrolidine-1-carboxamide
U3C
U3C
表記:N-(6-methylpyridin-2-yl)-D-prolinamide
組成式:C11 H15 N3 O
SMILES:O=C(Nc1cccc(C)n1)C1CCCN1
InChi:InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:N-(6-methylpyridin-2-yl)-D-prolinamide
U3R
U3R
表記:(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
組成式:C13 H15 N O3
SMILES:OC(=O)C1CN(CC1c1ccccc1)C(=O)C
InChi:InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m1/s1
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid
U4C
U4C
表記:(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
組成式:C12 H14 N2 O
SMILES:O=C1Nc2ccccc2CC21CCCN2
InChi:InChI=1S/C12H14N2O/c15-11-12(6-3-7-13-12)8-9-4-1-2-5-10(9)14-11/h1-2,4-5,13H,3,6-8H2,(H,14,15)/t12-/m0/s1
定義日:2023-08-29
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(2S)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one
U4Z
U4Z
表記:gamma-Carotene
組成式:C40 H56
SMILES:CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
InChi:InChI=1S/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3/b12-11+,22-14+,23-16+,26-15+,30-29+,33-19+,34-20+,35-24+,36-25+,37-27+
別名:2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene
定義日:2023-05-15
最終更新日:2023-11-24
公開日:2023-11-22
識別子（ID）:2-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E},19~{E})-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-cyclohexene
U9R
U9R
表記:(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)
組成式:C8 H11 N3 O2 S
SMILES:O=C(Nc1cnns1)C1OCCC1C
InChi:InChI=1S/C8H11N3O2S/c1-5-2-3-13-7(5)8(12)10-6-4-9-11-14-6/h4-5,7H,2-3H2,1H3,(H,10,12)/t5-,7+/m1/s1
定義日:2023-08-31
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(2S,3R)-3-methyl-N-(1,2,3-thiadiazol-5-yl)oxolane-2-carboxamide (non-preferred name)
43I
43I
表記:3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
組成式:C23 H31 Cl2 N7 O
SMILES:CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O
InChi:InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
定義日:2023-01-04
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
4AI
4AI
表記:(3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
組成式:
SMILES:NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4
InChi:InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1
別名:PS372424
定義日:2023-01-05
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide
FI6
FI6
表記:N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
組成式:C32 H28 F3 N5 O4
SMILES:CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
InChi:InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
別名:(+/-)-AMG 487
定義日:2023-07-20
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
9MF
9MF
表記:methyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
組成式:C20 H21 F N2 O2
SMILES:COC(=O)Nc1c(C)cc(cc1C)N(CC#C)Cc2ccc(F)cc2
InChi:InChI=1S/C20H21FN2O2/c1-5-10-23(13-16-6-8-17(21)9-7-16)18-11-14(2)19(15(3)12-18)22-20(24)25-4/h1,6-9,11-12H,10,13H2,2-4H3,(H,22,24)
別名:HN37
定義日:2023-04-12
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:methyl ~{N}-[4-[(4-fluorophenyl)methyl-prop-2-ynyl-amino]-2,6-dimethyl-phenyl]carbamate
KXL
KXL
表記:(2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide
組成式:C22 H28 N4 O4
SMILES:CN(C)C(=O)[CH](Cc1ccccc1)NC(=O)[CH](O)CC(=O)NCCc2ccccn2
InChi:InChI=1S/C22H28N4O4/c1-26(2)22(30)18(14-16-8-4-3-5-9-16)25-21(29)19(27)15-20(28)24-13-11-17-10-6-7-12-23-17/h3-10,12,18-19,27H,11,13-15H2,1-2H3,(H,24,28)(H,25,29)/t18-,19-/m0/s1
定義日:2022-06-07
最終更新日:2023-11-24
公開日:2023-11-29
識別子（ID）:(2~{S})-~{N}-[(2~{S})-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-~{N}'-(2-pyridin-2-ylethyl)butanediamide

222415

件を2024-07-10に公開中

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