General Information of the Compound
| Compound ID |
CP0185616
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| Compound Name |
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1-phenylpyrazol-3-yl]propan-1-one
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| Structure |
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| Formula |
C34H40N4O
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| Molecular Weight |
520.721
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccccc1
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| InChI |
InChI=1S/C34H40N4O/c1-26-10-14-28(15-11-26)32-24-30(35-38(32)31-8-6-5-7-9-31)18-19-33(39)37-22-20-36(21-23-37)25-27-12-16-29(17-13-27)34(2,3)4/h5-17,24H,18-23,25H2,1-4H3
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| InChIKey |
PBHRIABKWDJCPT-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