General Information of the Compound
| Compound ID |
CP0533491
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| Compound Name |
methyl 4-[5-carbamoyl-1-[(E)-4-[5-carbamoyl-2-(4-methoxy-4-oxobutanoyl)-7-(3-morpholin-4-ylpropoxy)benzimidazol-1-yl]but-2-enyl]-7-methoxybenzimidazol-2-yl]-4-oxobutanoate
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| Formula |
C38H45N7O11
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| Molecular Weight |
775.816
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| Canonical SMILES |
COC(=O)CCC(=O)c1nc2cc(cc(OC)c2n1C\C=C\Cn1c(nc2cc(cc(OCCCN3CCOCC3)c12)C(N)=O)C(=O)CCC(=O)OC)C(N)=O
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| InChI |
InChI=1S/C38H45N7O11/c1-52-29-21-23(35(39)50)19-25-33(29)44(37(41-25)27(46)7-9-31(48)53-2)12-4-5-13-45-34-26(42-38(45)28(47)8-10-32(49)54-3)20-24(36(40)51)22-30(34)56-16-6-11-43-14-17-55-18-15-43/h4-5,19-22H,6-18H2,1-3H3,(H2,39,50)(H2,40,51)/b5-4+
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| InChIKey |
NBWVKWVBDFROAI-SNAWJCMRSA-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