General Information of the Compound
| Compound ID |
CP0447903
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| Compound Name |
CHEMBL2204242
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| Formula |
C25H26F3N5O3
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| Molecular Weight |
501.509
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(nc1)C#N
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| InChI |
InChI=1S/C25H26F3N5O3/c26-25(27,28)17-3-1-2-16(10-17)23(35)31-13-22(34)32-20-14-33(15-20)21-6-8-24(36,9-7-21)18-4-5-19(11-29)30-12-18/h1-5,10,12,20-21,36H,6-9,13-15H2,(H,31,35)(H,32,34)/t21-,24-
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| InChIKey |
WMRILXQRQQISOP-SAIGFBBZSA-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