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    NH 2 O SH O HN OH
    7O5
    Name:(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
    Formula:C5 H10 N2 O3 S
    SMILES:N[CH](CNC(=O)CS)C(O)=O
    InChi:InChI=1S/C5H10N2O3S/c6-3(5(9)10)1-7-4(8)2-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
    Definition date:2016-12-01
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{S})-2-azanyl-3-(2-sulfanylethanoylamino)propanoic acid
    O HO N H O O N
    D0F
    Name:(2S)-2-[[(2S)-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
    Formula:C23 H32 N2 O4
    SMILES:OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2CCCN2C(=O)CCC3CCCCC3
    InChi:InChI=1S/C23H32N2O4/c26-21(14-13-17-8-3-1-4-9-17)25-15-7-12-20(25)22(27)24-19(23(28)29)16-18-10-5-2-6-11-18/h2,5-6,10-11,17,19-20H,1,3-4,7-9,12-16H2,(H,24,27)(H,28,29)/t19-,20-/m0/s1
    Synonyms:N-(3-cyclohexylpropanoyl)-L-prolyl-L-phenylalanine
    Definition date:2019-05-29
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{S})-2-[[(2~{S})-1-(3-cyclohexylpropanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
    N H 3 C CH 3 S O O O O H 3 C H 3 C H 3 C CH 3
    D2L
    Name:[(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
    Formula:C26 H51 N O4 S
    SMILES:CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O
    InChi:InChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1
    Definition date:2019-06-05
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:[(3~{R},6~{R})-6-methyloctan-3-yl] 2-[(2~{S},4~{S},6~{R})-2-[(2~{S})-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
    O N N N N N N H 2 N OH O HO O O O OH OH P S S
    D4F
    Name:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4S)-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
    Formula:C21 H20 N7 O9 P S2
    SMILES:Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CSC(=N4)c5sc6cc(O)ccc6n5)[CH](O)[CH]3O
    InChi:InChI=1S/C21H20N7O9PS2/c22-16-13-17(24-6-23-16)28(7-25-13)20-15(31)14(30)11(36-20)4-35-38(33,34)37-21(32)10-5-39-18(27-10)19-26-9-2-1-8(29)3-12(9)40-19/h1-3,6-7,10-11,14-15,20,29-31H,4-5H2,(H,33,34)(H2,22,23,24)/t10-,11-,14-,15-,20-/m1/s1
    Synonyms:Luciferyl adenylate
    Definition date:2019-06-25
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (4~{S})-2-(6-oxidanyl-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate
    CH 3 CH 3 CH 3 N N H 3 C S N HO
    DY3
    Name:3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
    Formula:C15 H21 N3 O S
    SMILES:CSc1nnc(CCCO)n1c2cc(C)c(C)c(C)c2
    InChi:InChI=1S/C15H21N3OS/c1-10-8-13(9-11(2)12(10)3)18-14(6-5-7-19)16-17-15(18)20-4/h8-9,19H,5-7H2,1-4H3
    Definition date:2019-09-18
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:3-[5-methylsulfanyl-4-(3,4,5-trimethylphenyl)-1,2,4-triazol-3-yl]propan-1-ol
    O Cl CH 3 N CH 3 N
    E2C
    Name:5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine
    Formula:C21 H27 Cl N2 O
    SMILES:CCN(CC)CCCCCN1c2ccccc2Oc3ccc(Cl)cc13
    InChi:InChI=1S/C21H27ClN2O/c1-3-23(4-2)14-8-5-9-15-24-18-10-6-7-11-20(18)25-21-13-12-17(22)16-19(21)24/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine
    O Cl NH N
    E2F
    Name:2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
    Formula:C19 H21 Cl N2 O
    SMILES:Clc1ccc2Oc3ccccc3N(CCC4CCNCC4)c2c1
    InChi:InChI=1S/C19H21ClN2O/c20-15-5-6-19-17(13-15)22(12-9-14-7-10-21-11-8-14)16-3-1-2-4-18(16)23-19/h1-6,13-14,21H,7-12H2
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine
    O Cl N H N
    E2L
    Name:2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine
    Formula:C20 H23 Cl N2 O
    SMILES:Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1
    InChi:InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine
    O N Cl N H N
    E2O
    Name:7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
    Formula:C19 H22 Cl N3 O
    SMILES:Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1
    InChi:InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine
    O H 2 N Cl N
    E2R
    Name:4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
    Formula:C19 H21 Cl N2 O
    SMILES:N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
    InChi:InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15-
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
    N O NH 2 N Cl N
    E2U
    Name:2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
    Formula:C20 H25 Cl N4 O
    SMILES:NCCN1CCC(CC1)CCN2c3ccncc3Oc4ccc(Cl)cc24
    InChi:InChI=1S/C20H25ClN4O/c21-16-1-2-19-18(13-16)25(17-3-8-23-14-20(17)26-19)11-6-15-4-9-24(10-5-15)12-7-22/h1-3,8,13-15H,4-7,9-12,22H2
    Definition date:2019-10-02
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:2-[4-[2-(7-chloranylpyrido[3,4-b][1,4]benzoxazin-5-yl)ethyl]piperidin-1-yl]ethanamine
    N H H 3 C HN N H N H NH O O O O O CH 3 H 3 C H 3 C
    EJF
    Name:N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide
    Formula:C27 H37 N5 O5
    SMILES:CC(C)C[CH](NC(=O)[CH](NC(=O)c1[nH]c2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)C=O
    InChi:InChI=1S/C27H37N5O5/c1-15(2)11-21(25(35)29-19(14-33)12-18-9-10-28-24(18)34)31-27(37)23(16(3)4)32-26(36)22-13-17-7-5-6-8-20(17)30-22/h5-8,13-16,18-19,21,23,30H,9-12H2,1-4H3,(H,28,34)(H,29,35)(H,31,37)(H,32,36)/t18-,19-,21-,23-/m0/s1
    Definition date:2020-01-07
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1~{H}-indole-2-carboxamide
    NH 2 NH O O
    ELF
    Name:(2S)-2-azanyl-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propanal
    Formula:C8 H14 N2 O2
    SMILES:N[CH](C[CH]1CCCNC1=O)C=O
    InChi:InChI=1S/C8H14N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h5-7H,1-4,9H2,(H,10,12)/t6-,7-/m0/s1
    Definition date:2020-01-14
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{S})-2-azanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propanal
    O O N H N H H 3 C CH 3 O HN O
    EOC
    Name:(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
    Formula:C23 H31 N3 O4
    SMILES:CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O
    InChi:InChI=1S/C23H31N3O4/c1-16(2)13-20(26-21(28)11-10-17-7-4-3-5-8-17)23(30)25-19(15-27)14-18-9-6-12-24-22(18)29/h3-5,7-8,10-11,15-16,18-20H,6,9,12-14H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)/b11-10+/t18-,19-,20-/m0/s1
    Definition date:2020-01-17
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
    O N H N H O CH 3 CH 3 O NH O
    EOF
    Name:(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
    Formula:C22 H29 N3 O4
    SMILES:CC(C)C[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O
    InChi:InChI=1S/C22H29N3O4/c1-15(2)12-19(25-20(27)9-8-16-6-4-3-5-7-16)22(29)24-18(14-26)13-17-10-11-23-21(17)28/h3-9,14-15,17-19H,10-13H2,1-2H3,(H,23,28)(H,24,29)(H,25,27)/b9-8+/t17-,18-,19-/m0/s1
    Definition date:2020-01-17
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide
    CH 3 S S N S
    EUF
    Name:2-(ethyldisulfanyl)-1,3-benzothiazole
    Formula:C9 H9 N S3
    SMILES:CCSSc1sc2ccccc2n1
    InChi:InChI=1S/C9H9NS3/c1-2-11-13-9-10-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3
    Definition date:2020-01-27
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:2-(ethyldisulfanyl)-1,3-benzothiazole
    O N H N H O O HN O NH
    FHR
    Name:~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    Formula:C25 H32 N4 O4
    SMILES:O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3
    InChi:InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1
    Definition date:2020-05-14
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    F O NH N H O NH O HN O
    FJC
    Name:~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    Formula:C25 H25 F N4 O4
    SMILES:Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](C[CH]4CCNC4=O)C=O)c1
    InChi:InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1
    Definition date:2020-05-14
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    NH N N N H O O O O S HO CH 3 CH 3
    H88
    Name:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
    Formula:C29 H26 N4 O5 S
    SMILES:Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5
    InChi:InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35)
    Definition date:2018-11-23
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide
    CH 3 O O O O O O
    LKZ
    Name:3,5,7,9,11-pentakis(oxidanylidene)dodecanal
    Formula:C12 H14 O6
    SMILES:CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O
    InChi:InChI=1S/C12H14O6/c1-8(14)4-10(16)6-12(18)7-11(17)5-9(15)2-3-13/h3H,2,4-7H2,1H3
    Definition date:2019-08-22
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:3,5,7,9,11-pentakis(oxidanylidene)dodecanal
    O HN S OH O OH HO OH O HO OH CH 3 OH P O H 3 C H 3 C OH O HN
    LLE
    Name:(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
    Formula:C23 H39 N2 O13 P S
    SMILES:CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O
    InChi:InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1
    Definition date:2019-08-22
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:(2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
    S S S O O CH 3 S O O CH 3
    M1M
    Name:1,1-Methanediyl Bismethanethiosulfonate
    Formula:C3 H8 O4 S4
    SMILES:S(S(=O)(=O)C)CSS(=O)(=O)C
    InChi:InChI=1S/C3H8O4S4/c1-10(4,5)8-3-9-11(2,6)7/h3H2,1-2H3
    Synonyms:S,S'-methylene dimethanesulfonothioate
    Definition date:2016-05-12
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:S,S'-methylene dimethanesulfonothioate
    CH 3 CH 3 N N N O O O O CH 2 N N H N H CH 3
    NQP
    Name:4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    Formula:C31 H42 N6 O4
    SMILES:[C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C
    InChi:InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1
    Definition date:2019-05-24
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    CH 3 CH 3 H 3 C CH 3 N N N O O O N N H HN CH 3
    NQV
    Name:4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
    Formula:C30 H42 N6 O3
    SMILES:c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O
    InChi:InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1
    Definition date:2019-05-24
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
    CH 3 H 3 C N N N O O O N N H N H H 3 C
    NQY
    Name:3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
    Formula:C26 H34 N6 O3
    SMILES:c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C
    InChi:InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1
    Definition date:2019-05-24
    Last modified:2020-05-22
    Release date:2020-05-27
    Identifier:3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide