General Information of the Compound
| Compound ID |
CP0039053
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| Compound Name |
(R)-N-(2-(1-(2-(1-(2-fluorobenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H32F4N4O3
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| Molecular Weight |
548.581
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| Canonical SMILES |
Fc1ccccc1C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H32F4N4O3/c29-24-7-2-1-6-23(24)27(39)36-14-9-19(10-15-36)8-12-35-13-11-22(18-35)34-25(37)17-33-26(38)20-4-3-5-21(16-20)28(30,31)32/h1-7,16,19,22H,8-15,17-18H2,(H,33,38)(H,34,37)/t22-/m1/s1
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| InChIKey |
XSXFFJJDVGJPJE-JOCHJYFZSA-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