General Information of the Compound
| Compound ID |
CP0496223
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| Compound Name |
4-piperidin-1-yl-N-[[5-[(4-piperidin-1-ylbutanoylamino)methyl]acridin-4-yl]methyl]butanamide
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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 |
O=C(CCCN1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CCCN4CCCCC4)c3nc12
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| InChI |
InChI=1S/C33H45N5O2/c39-30(15-9-21-37-17-3-1-4-18-37)34-24-28-13-7-11-26-23-27-12-8-14-29(33(27)36-32(26)28)25-35-31(40)16-10-22-38-19-5-2-6-20-38/h7-8,11-14,23H,1-6,9-10,15-22,24-25H2,(H,34,39)(H,35,40)
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| InChIKey |
GQRJHPWTSHKLBR-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