General Information of the Compound
| Compound ID |
CP0539972
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| Compound Name |
N-[4-(1,3-dihydrobenzo[de]isoquinolin-2-yl)butyl]naphthalene-2-carboxamide
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| Structure |
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| Formula |
C27H26N2O
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| Molecular Weight |
394.518
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| Canonical SMILES |
O=C(NCCCCN1Cc2cccc3cccc(C1)c23)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C27H26N2O/c30-27(23-14-13-20-7-1-2-8-22(20)17-23)28-15-3-4-16-29-18-24-11-5-9-21-10-6-12-25(19-29)26(21)24/h1-2,5-14,17H,3-4,15-16,18-19H2,(H,28,30)
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| InChIKey |
ROHZXLLVAQCBEV-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