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WQO
WQO
表記:(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid
組成式:C17 H15 N O5
SMILES:Nc1ccc(c(O)c1)C(=O)OC1c2ccccc2CC1C(=O)O
InChi:InChI=1S/C17H15NO5/c18-10-5-6-12(14(19)8-10)17(22)23-15-11-4-2-1-3-9(11)7-13(15)16(20)21/h1-6,8,13,15,19H,7,18H2,(H,20,21)/t13-,15-/m0/s1
定義日:2022-10-13
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid
828
828
表記:N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
組成式:C22 H19 Cl N8 O4 S
SMILES:Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/S(N)(=O)=O)c3C2=O)cn1
InChi:InChI=1S/C22H19ClN8O4S/c1-29-11-15(9-27-29)3-2-7-30-14-26-21-20(22(30)33)16(5-8-36(24,34)35)12-31(21)13-19(32)28-18-4-6-25-10-17(18)23/h4-6,8-12,14H,7,13H2,1H3,(H2,24,34,35)(H,25,28,32)/b8-5+
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
LE9
LE9
表記:4-bromanyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
組成式:C4 H3 Br F3 N3
SMILES:Nc1n[nH]c(c1Br)C(F)(F)F
InChi:InChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
別名:4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
定義日:2022-07-01
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:4-bromanyl-5-(trifluoromethyl)-1~{H}-pyrazol-3-amine
85O
85O
表記:12-methoxy-Nb-methylvoachalotine
組成式:C24 H31 N2 O4
SMILES:O=C(OC)C1(CO)C2Cc3c(C4CC1C(=CC)/C[N+]24C)n(C)c1c(OC)cccc31
InChi:InChI=1S/C24H31N2O4/c1-6-14-12-26(3)18-11-17(14)24(13-27,23(28)30-5)20(26)10-16-15-8-7-9-19(29-4)22(15)25(2)21(16)18/h6-9,17-18,20,27H,10-13H2,1-5H3/q+1/b14-6-/t17-,18-,20-,24+,26-/m0/s1
定義日:2021-09-06
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(4R,19E)-16-(hydroxymethyl)-12,17-dimethoxy-1,4-dimethyl-17-oxosarpagan-4-ium
9JL
9JL
表記:(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
組成式:C26 H25 F N6 O
SMILES:CN(C)Cc1ccc(c(C)c1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12
InChi:InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)
別名:MRTX-2219
定義日:2021-10-20
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(4S)-8-{4-[(dimethylamino)methyl]-2-methylphenyl}-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
9L0
9L0
表記:(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
組成式:C21 H18 F N7 O
SMILES:Cc1cc(n(C)n1)c1cnc(NCc2c(F)ccc3OCCc23)n2cc(C#N)nc12
InChi:InChI=1S/C21H18FN7O/c1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-4,7,10-11H,5-6,9H2,1-2H3,(H,24,25)
別名:MRTX-1919
定義日:2021-10-20
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(4R)-8-(1,3-dimethyl-1H-pyrazol-5-yl)-5-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}imidazo[1,2-c]pyrimidine-2-carbonitrile
LNU
LNU
表記:ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate
組成式:C22 H24 N2 O5
SMILES:CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc4cc(OC)cc(OC)c4
InChi:InChI=1S/C22H24N2O5/c1-4-28-22(25)19-10-15-6-5-7-16-12-23-29-21(16)20(15)24(19)13-14-8-17(26-2)11-18(9-14)27-3/h8-12H,4-7,13H2,1-3H3
定義日:2022-07-07
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate
LO9
LO9
表記:7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole
組成式:C18 H16 N2 O3
SMILES:COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1
InChi:InChI=1S/C18H16N2O3/c1-21-15-5-12(6-16(7-15)22-2)9-20-10-14-4-3-13-8-19-23-18(13)17(14)11-20/h3-8,10-11H,9H2,1-2H3
定義日:2022-07-07
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole
LX6
LX6
表記:2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
組成式:C9 H10 N2 S
SMILES:N#Cc1c2CCCCc2sc1N
InChi:InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
定義日:2022-03-09
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
LXD
LXD
表記:(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
組成式:C30 H37 N9 O2 S
SMILES:C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)C=C
InChi:InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1
定義日:2022-07-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
LXK
LXK
表記:2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
組成式:C11 H14 N2 S
SMILES:CC1(C)CCCc2sc(N)c(C#N)c12
InChi:InChI=1S/C11H14N2S/c1-11(2)5-3-4-8-9(11)7(6-12)10(13)14-8/h3-5,13H2,1-2H3
定義日:2022-07-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
LXU
LXU
表記:(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
組成式:C18 H17 N5 O S
SMILES:C[C]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4ccc(N)cc4
InChi:InChI=1S/C18H17N5OS/c1-18(8-2-3-13-14(18)12(9-19)15(21)25-13)17-22-16(23-24-17)10-4-6-11(20)7-5-10/h4-7H,2-3,8,20-21H2,1H3/t18-/m0/s1
定義日:2022-07-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
7RH
7RH
表記:(E)-3-(7-(2-((3-chloropyridin-4-yl)amino)-2-oxoethyl)-3-(3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide
組成式:C23 H19 Cl N8 O3
SMILES:Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/C(N)=O)c3C2=O)cn1
InChi:InChI=1S/C23H19ClN8O3/c1-30-11-15(9-28-30)3-2-8-31-14-27-22-21(23(31)35)16(4-5-19(25)33)12-32(22)13-20(34)29-18-6-7-26-10-17(18)24/h4-7,9-12,14H,8,13H2,1H3,(H2,25,33)(H,26,29,34)/b5-4+
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2E)-3-(7-{2-[(3-chloropyridin-4-yl)amino]-2-oxoethyl}-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
7RL
7RL
表記:N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
組成式:C20 H16 Cl F N6 O2
SMILES:Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1F
InChi:InChI=1S/C20H16ClFN6O2/c21-14-10-23-7-5-16(14)25-17(29)11-28-8-6-13-18(28)26-20(27-19(13)30)24-9-12-3-1-2-4-15(12)22/h1-8,10H,9,11H2,(H,23,25,29)(H2,24,26,27,30)
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
7RR
7RR
表記:2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide
組成式:C13 H11 Cl N6 O2
SMILES:Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(N)=Nc21
InChi:InChI=1S/C13H11ClN6O2/c14-8-5-16-3-1-9(8)17-10(21)6-20-4-2-7-11(20)18-13(15)19-12(7)22/h1-5H,6H2,(H,16,17,21)(H3,15,18,19,22)
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide
7RW
7RW
表記:N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
組成式:C17 H17 Cl N6 O2
SMILES:Clc1cnccc1NC(=O)Cn1ccc2c1nc(nc2O)NCC1CC1
InChi:InChI=1S/C17H17ClN6O2/c18-12-8-19-5-3-13(12)21-14(25)9-24-6-4-11-15(24)22-17(23-16(11)26)20-7-10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,19,21,25)(H2,20,22,23,26)
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(3-chloropyridin-4-yl)-2-{2-[(cyclopropylmethyl)amino]-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
7S0
7S0
表記:N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
組成式:C22 H21 Cl N6 O4
SMILES:Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccc(OC)cc1OC
InChi:InChI=1S/C22H21ClN6O4/c1-32-14-4-3-13(18(9-14)33-2)10-25-22-27-20-15(21(31)28-22)6-8-29(20)12-19(30)26-17-5-7-24-11-16(17)23/h3-9,11H,10,12H2,1-2H3,(H,24,26,30)(H2,25,27,28,31)
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
7S5
7S5
表記:2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide
組成式:C20 H17 Cl N6 O2
SMILES:Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1
InChi:InChI=1S/C20H17ClN6O2/c21-15-11-22-8-6-16(15)24-17(28)12-27-9-7-14-18(27)25-20(26-19(14)29)23-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,28)(H2,23,25,26,29)
定義日:2021-08-19
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide
O0U
O0U
表記:2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
組成式:C22 H16 Cl N3 O4
SMILES:CCc1ccc(cc1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N](=O)=O)cc3n2
InChi:InChI=1S/C22H16ClN3O4/c1-2-13-3-5-14(6-4-13)22-25-19-11-15(7-10-20(19)30-22)24-21(27)17-12-16(26(28)29)8-9-18(17)23/h3-12H,2H2,1H3,(H,24,27)
定義日:2022-08-25
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-chloranyl-~{N}-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
O2O
O2O
表記:2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
組成式:C21 H14 Cl N3 O4
SMILES:Cc1cccc(c1)c2oc3ccc(NC(=O)c4cc(ccc4Cl)[N+]([O-])=O)cc3n2
InChi:InChI=1S/C21H14ClN3O4/c1-12-3-2-4-13(9-12)21-24-18-10-14(5-8-19(18)29-21)23-20(26)16-11-15(25(27)28)6-7-17(16)22/h2-11H,1H3,(H,23,26)
定義日:2022-08-26
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-chloranyl-~{N}-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-5-nitro-benzamide
PXV
PXV
表記:N-(8-hydroxyoctyl)-4-methoxybenzamide
組成式:C16 H25 N O3
SMILES:C(CO)CCCCCCNC(c1ccc(cc1)OC)=O
InChi:InChI=1S/C16H25NO3/c1-20-15-10-8-14(9-11-15)16(19)17-12-6-4-2-3-5-7-13-18/h8-11,18H,2-7,12-13H2,1H3,(H,17,19)
定義日:2019-08-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(8-hydroxyoctyl)-4-methoxybenzamide
Q3R
Q3R
表記:~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
組成式:C51 H58 F3 N9 O7 S
SMILES:CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:InChI=1S/C51H58F3N9O7S/c1-30-44(71-29-58-30)33-10-8-31(9-11-33)26-57-48(69)41-24-36(64)28-63(41)49(70)45(50(2,3)4)60-42(65)7-6-18-55-46(67)34-14-12-32(13-15-34)35-16-17-40(62-21-19-61(5)20-22-62)39(23-35)59-47(68)37-27-56-43(66)25-38(37)51(52,53)54/h8-17,23,25,27,29,36,41,45,64H,6-7,18-22,24,26,28H2,1-5H3,(H,55,67)(H,56,66)(H,57,69)(H,59,68)(H,60,65)/t36-,41+,45-/m1/s1
定義日:2022-10-12
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[5-[4-[[4-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
Q3X
Q3X
表記:~{N}-[5-[4-[2-[2-[2-[2-[3-[[3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-3~{H}-pyridine-3-carboxamide
組成式:C58 H72 F3 N9 O11 S
SMILES:CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCCOCCOCCOCCOCCC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)NCc6ccc(cc6)c7scnc7C)C(C)(C)C
InChi:InChI=1S/C58H72F3N9O11S/c1-37-51(82-36-65-37)40-8-6-38(7-9-40)33-64-55(76)48-31-43(71)35-70(48)56(77)52(57(2,3)4)67-49(72)16-22-78-24-26-80-28-29-81-27-25-79-23-17-62-53(74)41-12-10-39(11-13-41)42-14-15-47(69-20-18-68(5)19-21-69)46(30-42)66-54(75)44-34-63-50(73)32-45(44)58(59,60)61/h6-15,30,32,34,36,43,48,52,71H,16-29,31,33,35H2,1-5H3,(H,62,74)(H,63,73)(H,64,76)(H,66,75)(H,67,72)/t43-,48+,52-/m1/s1
定義日:2022-10-12
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[5-[4-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
Q43
Q43
表記:~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
組成式:C56 H60 F3 N9 O7 S
SMILES:CN1CCN(CC1)c2ccc(cc2NC(=O)c3cnc(O)cc3C(F)(F)F)c4ccc(cc4)C(=O)NCc5ccc(CC(=O)N[CH](C(=O)N6C[CH](O)C[CH]6C(=O)NCc7ccc(cc7)c8scnc8C)C(C)(C)C)cc5
InChi:InChI=1S/C56H60F3N9O7S/c1-33-49(76-32-63-33)38-12-10-36(11-13-38)29-62-53(74)46-26-41(69)31-68(46)54(75)50(55(2,3)4)65-48(71)24-34-6-8-35(9-7-34)28-61-51(72)39-16-14-37(15-17-39)40-18-19-45(67-22-20-66(5)21-23-67)44(25-40)64-52(73)42-30-60-47(70)27-43(42)56(57,58)59/h6-19,25,27,30,32,41,46,50,69H,20-24,26,28-29,31H2,1-5H3,(H,60,70)(H,61,72)(H,62,74)(H,64,73)(H,65,71)/t41-,46+,50-/m1/s1
定義日:2022-10-13
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:~{N}-[5-[4-[[4-[2-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]phenyl]methylcarbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanyl-4-(trifluoromethyl)pyridine-3-carboxamide
C0C
C0C
表記:1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
組成式:C26 H30 Cl N3 O3
SMILES:O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1
InChi:InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1
定義日:2021-11-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide

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