General Information of the Compound
| Compound ID |
CP0953743
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| Compound Name |
(E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimino)-1-((1r,4r)-4-((E)-2-(1-ethyl-3-methyl-1H-pyrazole-5-carbonylimino)-7-methoxy-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)cyclohexyl)-7-(3-morpholinopropoxy)-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide
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| Formula |
C45H55N15O6
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| Molecular Weight |
902.034
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)/N=c1\[nH]c2cc(-c3ncn[nH]3)cc(OC)c2n1[C@H]1CC[C@H](n2/c(=N/C(=O)c3cc(C)nn3CC)[nH]c3cc(C(N)=O)cc(OCCCN4CCOCC4)c32)CC1
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| InChI |
InChI=1S/C45H55N15O6/c1-6-57-34(19-26(3)54-57)42(62)51-44-50-33-22-29(41-47-25-48-53-41)24-36(64-5)38(33)59(44)30-9-11-31(12-10-30)60-39-32(49-45(60)52-43(63)35-20-27(4)55-58(35)7-2)21-28(40(46)61)23-37(39)66-16-8-13-56-14-17-65-18-15-56/h19-25,30-31H,6-18H2,1-5H3,(H2,46,61)(H,47,48,53)(H,49,52,63)(H,50,51,62)/t30-,31-
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| InChIKey |
QYQWMKKPFXQWFI-YALZGCRRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03644, Stimulator of interferon genes protein
Protein ID: PT05006, Stimulator of interferon genes protein