General Information of the Compound
| Compound ID |
CP0399224
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| Compound Name |
N-ethyl-N-[1-[3-(4-ethylsulfonylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C31H46N4O5S2
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| Molecular Weight |
618.866
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| Canonical SMILES |
CCN(C1CCN(CCC(N2CCN(CC2)S(=O)(=O)CC)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C31H46N4O5S2/c1-4-35(31(36)25-26-11-13-29(14-12-26)41(3,37)38)28-15-18-32(19-16-28)20-17-30(27-9-7-6-8-10-27)33-21-23-34(24-22-33)42(39,40)5-2/h6-14,28,30H,4-5,15-25H2,1-3H3
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| InChIKey |
BDNJKHFQQJXFNJ-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