General Information of the Compound
| Compound ID |
CP0522439
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| Compound Name |
1-benzyl-N-[[3-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
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| Structure |
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| Formula |
C34H39N3
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| Molecular Weight |
489.707
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| Canonical SMILES |
C(Cc1ccccc1)NCc1ccc(cc1)-c1cccc(CNC2CCN(Cc3ccccc3)CC2)c1
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| InChI |
InChI=1S/C34H39N3/c1-3-8-28(9-4-1)18-21-35-25-29-14-16-32(17-15-29)33-13-7-12-31(24-33)26-36-34-19-22-37(23-20-34)27-30-10-5-2-6-11-30/h1-17,24,34-36H,18-23,25-27H2
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| InChIKey |
MFYMITAWTNSDBX-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