General Information of the Compound
| Compound ID |
CP0529563
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H40Cl2N4O3
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| Molecular Weight |
587.592
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(CC1)C(=O)NCCc1ccc(Cl)cc1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C31H40Cl2N4O3/c1-23(38)36-20-13-26(14-21-36)31(40)37(29-5-2-4-28(33)22-29)17-3-16-35-18-11-25(12-19-35)30(39)34-15-10-24-6-8-27(32)9-7-24/h2,4-9,22,25-26H,3,10-21H2,1H3,(H,34,39)
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| InChIKey |
YRUNMNHKXYFBTO-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