General Information of the Compound
| Compound ID |
CP0499076
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| Compound Name |
CHEMBL1834640
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| Formula |
C23H30F3N5O3
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| Molecular Weight |
481.519
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C23H30F3N5O3/c1-3-34-22(33)14-4-7-17(8-5-14)31-12-16(13-31)28-20(32)11-27-21-18-10-15(23(24,25)26)6-9-19(18)30(2)29-21/h6,9-10,14,16-17H,3-5,7-8,11-13H2,1-2H3,(H,27,29)(H,28,32)/t14-,17+
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| InChIKey |
QTKVWRRRHCBCAH-KDYLLFBJSA-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