General Information of the Compound
| Compound ID |
CP0421098
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C33H45ClN4O3
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| Molecular Weight |
581.201
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| Canonical SMILES |
CCN(CCc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C33H45ClN4O3/c1-3-36(22-13-27-9-5-4-6-10-27)32(40)28-14-20-35(21-15-28)18-8-19-38(31-12-7-11-30(34)25-31)33(41)29-16-23-37(24-17-29)26(2)39/h4-7,9-12,25,28-29H,3,8,13-24H2,1-2H3
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| InChIKey |
FDXBJSOHXGUIGJ-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