General Information of the Compound
| Compound ID |
CP0062259
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| Compound Name |
(R)-N-(2-(1-(2-(1-benzoylpiperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H33F3N4O3
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| Molecular Weight |
530.591
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(CCC2CCN(CC2)C(=O)c2ccccc2)C1
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| InChI |
InChI=1S/C28H33F3N4O3/c29-28(30,31)23-8-4-7-22(17-23)26(37)32-18-25(36)33-24-12-14-34(19-24)13-9-20-10-15-35(16-11-20)27(38)21-5-2-1-3-6-21/h1-8,17,20,24H,9-16,18-19H2,(H,32,37)(H,33,36)/t24-/m1/s1
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| InChIKey |
MCEPAFGIBULHLP-XMMPIXPASA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Cell Viability or Cytotoxicity Assay