General Information of the Compound
| Compound ID |
CP0577153
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-(trifluoromethyl)phenyl]-2-pyrrolidin-1-ylacetamide;dihydrochloride
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| Structure |
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| Formula |
C22H32Cl2F3N3O2
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| Molecular Weight |
498.417
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| Canonical SMILES |
Cl.Cl.FC(F)(F)c1cc(OC2CCN(CC2)C2CCC2)ccc1NC(=O)CN1CCCC1
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| InChI |
InChI=1S/C22H30F3N3O2.2ClH/c23-22(24,25)19-14-18(30-17-8-12-28(13-9-17)16-4-3-5-16)6-7-20(19)26-21(29)15-27-10-1-2-11-27;;/h6-7,14,16-17H,1-5,8-13,15H2,(H,26,29);2*1H
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| InChIKey |
FYPKNTWFVYQDSH-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