General Information of the Compound
| Compound ID |
CP0480425
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| Compound Name |
5-(Dimethylamino)-N-[5-({4-[2-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1,3-dioxotetrahydro-1H-pyrrolo[1,2-c]imidazol-7a(5H)-yl]butyl}amino)pentyl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C42H61N7O5S
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| Molecular Weight |
776.061
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCNCCCCCNS(=O)(=O)c3cccc4c(cccc34)N(C)C)C2=O)CC1
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| InChI |
InChI=1S/C42H61N7O5S/c1-45(2)36-19-13-17-35-34(36)16-14-21-39(35)55(52,53)44-26-9-4-8-24-43-25-10-7-22-42-23-15-29-49(42)41(51)48(40(42)50)28-12-11-27-46-30-32-47(33-31-46)37-18-5-6-20-38(37)54-3/h5-6,13-14,16-21,43-44H,4,7-12,15,22-33H2,1-3H3
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| InChIKey |
ULTXEZOVYZCVSW-UHFFFAOYSA-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