General Information of the Compound
| Compound ID |
CP0214084
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| Compound Name |
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
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| Structure |
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| Formula |
C29H31N5O3
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| Molecular Weight |
497.599
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| Canonical SMILES |
CN(CCN1CCCC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
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| InChI |
InChI=1S/C29H31N5O3/c1-18-16-24-25(32(4)29(37)31(24)3)17-23(18)34-27(35)20-9-7-8-19-22(11-10-21(26(19)20)28(34)36)30(2)14-15-33-12-5-6-13-33/h7-11,16-17H,5-6,12-15H2,1-4H3
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| InChIKey |
LIGPIGAGCDCBGQ-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