General Information of the Compound
| Compound ID |
CP0101333
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| Compound Name |
3-(2-Ethyl-piperidin-1-yl)-N-{6-[3-(2-ethyl-piperidin-1-yl)-propionylamino]-acridin-3-yl}-propionamide
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| Structure |
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| Formula |
C33H45N5O2
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| Molecular Weight |
543.756
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| Canonical SMILES |
CCC1CCCCN1CCC(=O)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4CC)cc3nc2c1
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| InChI |
InChI=1S/C33H45N5O2/c1-3-28-9-5-7-17-37(28)19-15-32(39)34-26-13-11-24-21-25-12-14-27(23-31(25)36-30(24)22-26)35-33(40)16-20-38-18-8-6-10-29(38)4-2/h11-14,21-23,28-29H,3-10,15-20H2,1-2H3,(H,34,39)(H,35,40)
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| InChIKey |
ZWPUGYBFVBXUSX-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