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R9J
R9J
表記:2-methyl-N-(4-methylphenyl)-L-alanine
組成式:C11 H15 N O2
SMILES:c1(ccc(cc1)C)NC(C)(C)C(O)=O
InChi:InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-methyl-N-(4-methylphenyl)-L-alanine
R9M
R9M
表記:3-(1,3-thiazol-2-yl)propanoic acid
組成式:C6 H7 N O2 S
SMILES:C(C(O)=O)Cc1nccs1
InChi:InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:3-(1,3-thiazol-2-yl)propanoic acid
R9S
R9S
表記:2-(2-methylphenyl)acetamide
組成式:C9 H11 N O
SMILES:c1cc(CC(=O)N)c(C)cc1
InChi:InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:2-(2-methylphenyl)acetamide
R9V
R9V
表記:(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
組成式:C14 H19 N O
SMILES:c1ccccc1CN3C2CC(CC3CC2)O
InChi:InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
R9Y
R9Y
表記:1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
組成式:C11 H16 N2
SMILES:c12cc(ccc1N(CCC2)C)CN
InChi:InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
RAY
RAY
表記:N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
組成式:C11 H14 F N O3
SMILES:C(COCCOC)(Nc1cccc(c1)F)=O
InChi:InChI=1S/C11H14FNO3/c1-15-5-6-16-8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,13,14)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
RB7
RB7
表記:N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
組成式:C11 H16 Br N O2 S
SMILES:c1cc(Br)c(cc1CNCCS(C)(=O)=O)C
InChi:InChI=1S/C11H16BrNO2S/c1-9-7-10(3-4-11(9)12)8-13-5-6-16(2,14)15/h3-4,7,13H,5-6,8H2,1-2H3
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
RBG
RBG
表記:(2R)-N-tert-butylpiperidine-2-carboxamide
組成式:C10 H20 N2 O
SMILES:C(C1CCCCN1)(=O)NC(C)(C)C
InChi:InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2R)-N-tert-butylpiperidine-2-carboxamide
RD4
RD4
表記:3-ethoxybenzene-1-carboximidamide
組成式:C9 H12 N2 O
SMILES:c1c(cc(C(=N)N)cc1)OCC
InChi:InChI=1S/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:3-ethoxybenzene-1-carboximidamide
RDJ
RDJ
表記:N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
組成式:C9 H15 N3 O2 S
SMILES:c1(SCC(=O)NCC)nnc(o1)C(C)C
InChi:InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
RDM
RDM
表記:(2R)-2-(acetylamino)-4-phenylbutanoic acid
組成式:C12 H15 N O3
SMILES:C(c1ccccc1)CC(C(=O)O)NC(=O)C
InChi:InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(2R)-2-(acetylamino)-4-phenylbutanoic acid
RDV
RDV
表記:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
組成式:C12 H22 N2 O
SMILES:C2C(CCC(=O)N1CCNCC1)CCC2
InChi:InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
RDY
RDY
表記:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
組成式:C12 H15 N O4
SMILES:O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C
InChi:InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
RE4
RE4
表記:6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
組成式:C11 H13 N5
SMILES:c2(nc(NCc1cccnc1)cc(n2)C)N
InChi:InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
RE7
RE7
表記:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
組成式:C13 H16 F N3
SMILES:c1cc(ccc1F)C(NCCn2cccn2)C
InChi:InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
REG
REG
表記:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
組成式:C11 H20 N2 O2
SMILES:O=C(NC[CH]1CCCO1)NC2CCCC2
InChi:InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
定義日:2020-02-10
最終更新日:2020-05-29
公開日:2020-06-03
識別子（ID）:1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
Q7H
Q7H
表記:11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H30 N6 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
InChi:InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7K
Q7K
表記:11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H32 N6 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5
InChi:InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7Q
Q7Q
表記:6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C22 H28 N6 O4
SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
InChi:InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q7Z
Q7Z
表記:6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C23 H30 N6 O4
SMILES:COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
InChi:InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8B
Q8B
表記:N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
組成式:C27 H35 N7 O4
SMILES:CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
InChi:InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8K
Q8K
表記:11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
組成式:C22 H24 N6 O2
SMILES:OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
InChi:InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8Q
Q8Q
表記:11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
組成式:C18 H20 N6 O
SMILES:CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
InChi:InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8T
Q8T
表記:11,15-dimethyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
組成式:C25 H34 N8 O2
SMILES:CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45
InChi:InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03
Q8W
Q8W
表記:10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
組成式:C22 H26 N6 O2
SMILES:C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1
InChi:InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+
定義日:2020-05-26
最終更新日:2020-05-29
公開日:2020-06-03

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