General Information of the Compound
| Compound ID |
CP0426019
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| Compound Name |
CHEMBL1834649
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| Formula |
C19H25F3N6O
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| Molecular Weight |
410.444
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| Canonical SMILES |
N[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/C19H25F3N6O/c20-19(21,22)11-1-6-16-15(7-11)18(27-26-16)24-8-17(29)25-13-9-28(10-13)14-4-2-12(23)3-5-14/h1,6-7,12-14H,2-5,8-10,23H2,(H,25,29)(H2,24,26,27)/t12-,14+
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| InChIKey |
KHGASTLPNIZCGV-XBXGTLAGSA-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