General Information of the Compound
| Compound ID |
CP0481237
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-(2-phenylethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H41ClN4O3
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| Molecular Weight |
553.147
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCCc1ccccc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H41ClN4O3/c1-24(37)35-21-14-27(15-22-35)31(39)36(29-10-5-9-28(32)23-29)18-6-17-34-19-12-26(13-20-34)30(38)33-16-11-25-7-3-2-4-8-25/h2-5,7-10,23,26-27H,6,11-22H2,1H3,(H,33,38)
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| InChIKey |
QXYFMNQOXMUIFW-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