General Information of the Compound
| Compound ID |
CP0040365
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| Compound Name |
3-[2-(2-Hydroxy-ethyl)-piperidin-1-yl]-N-(6-{3-[2-(2-hydroxy-ethyl)-piperidin-1-yl]-propionylamino}-acridin-3-yl)-propionamide
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| Structure |
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| Formula |
C33H45N5O4
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| Molecular Weight |
575.754
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| Canonical SMILES |
OCCC1CCCCN1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4CCO)cc3nc2c1
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| InChI |
InChI=1S/C33H45N5O4/c39-19-13-28-5-1-3-15-37(28)17-11-32(41)34-26-9-7-24-21-25-8-10-27(23-31(25)36-30(24)22-26)35-33(42)12-18-38-16-4-2-6-29(38)14-20-40/h7-10,21-23,28-29,39-40H,1-6,11-20H2,(H,34,41)(H,35,42)
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| InChIKey |
BXFKSCDNXROMEQ-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