General Information of the Compound
| Compound ID |
CP0095877
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| Compound Name |
(R)-N-(2-(1-(2-(4-(2,5-difluorobenzoyl)piperazin-1-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C27H30F5N5O3
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| Molecular Weight |
567.559
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| Canonical SMILES |
Fc1ccc(F)c(c1)C(=O)N1CCN(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C27H30F5N5O3/c28-20-4-5-23(29)22(15-20)26(40)37-12-10-35(11-13-37)8-9-36-7-6-21(17-36)34-24(38)16-33-25(39)18-2-1-3-19(14-18)27(30,31)32/h1-5,14-15,21H,6-13,16-17H2,(H,33,39)(H,34,38)/t21-/m1/s1
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| InChIKey |
QIBDSCJTWMYQTC-OAQYLSRUSA-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