General Information of the Compound
| Compound ID |
CP0412462
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| Compound Name |
1-[3-[4-[1-adamantyl(phenyl)methyl]phenyl]propyl]-4-benzylpiperazine
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| Structure |
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| Formula |
C37H46N2
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| Molecular Weight |
518.789
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| Canonical SMILES |
C(CN1CCN(Cc2ccccc2)CC1)Cc1ccc(cc1)C(c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C37H46N2/c1-3-8-30(9-4-1)28-39-20-18-38(19-21-39)17-7-10-29-13-15-35(16-14-29)36(34-11-5-2-6-12-34)37-25-31-22-32(26-37)24-33(23-31)27-37/h1-6,8-9,11-16,31-33,36H,7,10,17-28H2
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| InChIKey |
YLUBGTJTYPZYJD-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