General Information of the Compound
| Compound ID |
CP0101550
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| Compound Name |
3-(2-Hydroxymethyl-piperidin-1-yl)-N-{6-[3-(2-hydroxymethyl-piperidin-1-yl)-propionylamino]-acridin-3-yl}-propionamide
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| Structure |
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| Formula |
C31H41N5O4
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| Molecular Weight |
547.7
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| Canonical SMILES |
OCC1CCCCN1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4CO)cc3nc2c1
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| InChI |
InChI=1S/C31H41N5O4/c37-20-26-5-1-3-13-35(26)15-11-30(39)32-24-9-7-22-17-23-8-10-25(19-29(23)34-28(22)18-24)33-31(40)12-16-36-14-4-2-6-27(36)21-38/h7-10,17-19,26-27,37-38H,1-6,11-16,20-21H2,(H,32,39)(H,33,40)
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| InChIKey |
CJDRVVUXCIZWRZ-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