General Information of the Compound
| Compound ID |
CP0433559
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| Compound Name |
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3-methoxy-1-methyl-4-oxo-5-(2-phenylethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
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| Structure |
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| Formula |
C29H34N4O4
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| Molecular Weight |
502.615
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| Canonical SMILES |
COc1c(C(=O)NC2CCN(CCO)CC2)n(C)c2c1c(=O)n(CCc1ccccc1)c1ccccc21
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| InChI |
InChI=1S/C29H34N4O4/c1-31-25-22-10-6-7-11-23(22)33(17-12-20-8-4-3-5-9-20)29(36)24(25)27(37-2)26(31)28(35)30-21-13-15-32(16-14-21)18-19-34/h3-11,21,34H,12-19H2,1-2H3,(H,30,35)
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| InChIKey |
KBPDWOAVNQIYBD-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