General Information of the Compound
| Compound ID |
CP0335794
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| Compound Name |
(4-benzyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-yl)-methanone
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| Structure |
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| Formula |
C29H36N2O
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| Molecular Weight |
428.62
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| Canonical SMILES |
Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(Cc3ccccc3)CC1)C2
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| InChI |
InChI=1S/C29H36N2O/c1-22-7-9-26(10-8-22)28-16-24-15-25(17-28)19-29(18-24,21-28)27(32)31-13-11-30(12-14-31)20-23-5-3-2-4-6-23/h2-10,24-25H,11-21H2,1H3
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| InChIKey |
WMCXGGQXWJTYAW-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