General Information of the Compound
| Compound ID |
CP0488606
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| Compound Name |
US9452986, 31
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| Structure |
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| Formula |
C22H21F3N4O3
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| Molecular Weight |
446.429
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| Canonical SMILES |
COC[C@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C22H21F3N4O3/c1-31-13-16-12-29(9-8-26-16)21(30)19-5-2-14-10-17(4-6-18(14)28-19)32-20-7-3-15(11-27-20)22(23,24)25/h2-7,10-11,16,26H,8-9,12-13H2,1H3/t16-/m1/s1
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| InChIKey |
BCOHYAVYZWPAHD-MRXNPFEDSA-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: PT02752, Sodium channel protein type 10 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha