General Information of the Compound
| Compound ID |
CP0043906
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| Compound Name |
3-(4-Benzyl-piperidin-1-yl)-N-{6-[3-(4-benzyl-piperidin-1-yl)-propionylamino]-acridin-3-yl}-propionamide
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| Structure |
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| Formula |
C43H49N5O2
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| Molecular Weight |
667.898
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| Canonical SMILES |
O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCC(Cc5ccccc5)CC4)cc3nc2c1
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| InChI |
InChI=1S/C43H49N5O2/c49-42(19-25-47-21-15-34(16-22-47)27-32-7-3-1-4-8-32)44-38-13-11-36-29-37-12-14-39(31-41(37)46-40(36)30-38)45-43(50)20-26-48-23-17-35(18-24-48)28-33-9-5-2-6-10-33/h1-14,29-31,34-35H,15-28H2,(H,44,49)(H,45,50)
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| InChIKey |
YODPLRICWXOARC-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