General Information of the Compound
| Compound ID |
CP0443488
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| Compound Name |
1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-benzyl-N-methylpiperidine-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 |
CN(Cc1ccccc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(CC2)C(C)=O)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C31H41ClN4O3/c1-24(37)35-20-14-27(15-21-35)31(39)36(29-11-6-10-28(32)22-29)17-7-16-34-18-12-26(13-19-34)30(38)33(2)23-25-8-4-3-5-9-25/h3-6,8-11,22,26-27H,7,12-21,23H2,1-2H3
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| InChIKey |
QMNDMZJDKCKYRN-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