General Information of the Compound
| Compound ID |
CP0455497
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| Compound Name |
CHEMBL1834719
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| Formula |
C22H28F3N5O3
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| Molecular Weight |
467.492
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C22H28F3N5O3/c1-2-33-21(32)13-3-6-16(7-4-13)30-11-15(12-30)27-19(31)10-26-20-17-9-14(22(23,24)25)5-8-18(17)28-29-20/h5,8-9,13,15-16H,2-4,6-7,10-12H2,1H3,(H,27,31)(H2,26,28,29)/t13-,16+
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| InChIKey |
BFNOLBZMRSIRMC-AKAXFMLLSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2