General Information of the Compound
| Compound ID |
CP0562298
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| Compound Name |
5-[(4-benzylpiperazin-1-yl)methyl]-2,2-diphenylcyclopentan-1-one
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| Structure |
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| Formula |
C29H32N2O
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| Molecular Weight |
424.588
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| Canonical SMILES |
O=C1C(CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H32N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25H,16-23H2
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| InChIKey |
RMUBLIPLPBHVJG-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