General Information of the Compound
| Compound ID |
CP0968775
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| Compound Name |
(R)-N-benzyl-2-(4-cyano-3-methoxyphenyl)-2-(4-(3,5-difluorobenzoyl)piperazin-1-yl)acetamide
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| Structure |
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| Formula |
C28H26F2N4O3
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| Molecular Weight |
504.537
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| Canonical SMILES |
COc1cc([C@H](C(=O)NCc2ccccc2)N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)ccc1C#N
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| InChI |
InChI=1S/C28H26F2N4O3/c1-37-25-15-20(7-8-21(25)17-31)26(27(35)32-18-19-5-3-2-4-6-19)33-9-11-34(12-10-33)28(36)22-13-23(29)16-24(30)14-22/h2-8,13-16,26H,9-12,18H2,1H3,(H,32,35)/t26-/m1/s1
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| InChIKey |
JEEZZJOSUGMGIG-AREMUKBSSA-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: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha