General Information of the Compound
| Compound ID |
CP0493048
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| Compound Name |
4-(2-Ethylbutylamino)-1-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)butan-1-one
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| Structure |
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| Formula |
C27H38ClN3O
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| Molecular Weight |
456.074
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| Canonical SMILES |
CCC(CC)CNCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H38ClN3O/c1-3-22(4-2)21-29-16-8-11-26(32)30-17-19-31(20-18-30)27(23-9-6-5-7-10-23)24-12-14-25(28)15-13-24/h5-7,9-10,12-15,22,27,29H,3-4,8,11,16-21H2,1-2H3
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| InChIKey |
ANCJMIQXNPUQAE-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