General Information of the Compound
| Compound ID |
CP0431338
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| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-ethoxypiperidin-1-yl]piperidin-1-yl]-quinolin-6-ylmethanone
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| Structure |
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| Formula |
C29H33Cl2N3O2
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| Molecular Weight |
526.508
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| Canonical SMILES |
CCO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C29H33Cl2N3O2/c1-2-36-28-19-34(13-9-22(28)16-20-5-7-25(30)26(31)17-20)24-10-14-33(15-11-24)29(35)23-6-8-27-21(18-23)4-3-12-32-27/h3-8,12,17-18,22,24,28H,2,9-11,13-16,19H2,1H3/t22-,28-/m1/s1
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| InChIKey |
BCTREWRHSJQVCU-SKCUWOTOSA-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