General Information of the Compound
| Compound ID |
CP0452299
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| Compound Name |
CHEMBL1829634
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| Formula |
C27H30F3N3O4
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| Molecular Weight |
517.548
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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)c1ccc2CCOc2c1
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| InChI |
InChI=1S/C27H30F3N3O4/c28-27(29,30)20-3-1-2-18(12-20)25(35)31-14-24(34)32-21-15-33(16-21)22-6-9-26(36,10-7-22)19-5-4-17-8-11-37-23(17)13-19/h1-5,12-13,21-22,36H,6-11,14-16H2,(H,31,35)(H,32,34)/t22-,26+
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| InChIKey |
MUASMHOMZSYLAM-HNACLESGSA-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