General Information of the Compound
| Compound ID |
CP0478661
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| Compound Name |
CHEMBL1834647
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| Formula |
C21H28F3N5O2
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| Molecular Weight |
439.482
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| Canonical SMILES |
CCO[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/C21H28F3N5O2/c1-2-31-16-6-4-15(5-7-16)29-11-14(12-29)26-19(30)10-25-20-17-9-13(21(22,23)24)3-8-18(17)27-28-20/h3,8-9,14-16H,2,4-7,10-12H2,1H3,(H,26,30)(H2,25,27,28)/t15-,16+
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| InChIKey |
CVZMFXLZFUQQCZ-IYBDPMFKSA-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