General Information of the Compound
| Compound ID |
CP0481135
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| Compound Name |
US9452986, 505
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| Structure |
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| Formula |
C21H16F3N3O3
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| Molecular Weight |
415.371
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| Canonical SMILES |
FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N2CCC22COC2)nc1
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| InChI |
InChI=1S/C21H16F3N3O3/c22-21(23,24)14-2-6-18(25-10-14)30-15-3-5-16-13(9-15)1-4-17(26-16)19(28)27-8-7-20(27)11-29-12-20/h1-6,9-10H,7-8,11-12H2
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| InChIKey |
VHGKLXAQYCGAPY-UHFFFAOYSA-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