General Information of the Compound
| Compound ID |
CP0496987
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| Compound Name |
3-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[6-[3-[2-(2-hydroxyethyl)piperidin-1-yl]propanoylamino]-9-oxo-10H-acridin-2-yl]propanamide
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| Structure |
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| Formula |
C33H45N5O5
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| Molecular Weight |
591.753
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| Canonical SMILES |
OCCC1CCCCN1CCC(=O)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCCC4CCO)ccc3nc2c1
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| InChI |
InChI=1S/C33H45N5O5/c39-19-13-25-5-1-3-15-37(25)17-11-31(41)34-23-8-10-29-28(21-23)33(43)27-9-7-24(22-30(27)36-29)35-32(42)12-18-38-16-4-2-6-26(38)14-20-40/h7-10,21-22,25-26,39-40H,1-6,11-20H2,(H,34,41)(H,35,42)(H,36,43)
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| InChIKey |
JCDJTQVXTSHHLI-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