General Information of the Compound
| Compound ID |
CP0482147
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| Compound Name |
CHEMBL1829609
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| Formula |
C25H28F3N3O2
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| Molecular Weight |
459.512
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccccc1
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| InChI |
InChI=1S/C25H28F3N3O2/c26-25(27,28)20-8-4-7-19(13-20)24(33)29-14-23(32)30-21-15-31(16-21)22-11-9-18(10-12-22)17-5-2-1-3-6-17/h1-8,13,18,21-22H,9-12,14-16H2,(H,29,33)(H,30,32)/t18-,22-
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| InChIKey |
NMRHWRNUJPVSFE-LBZQVFOQSA-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