General Information of the Compound
| Compound ID |
CP0859601
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| Compound Name |
(R)-N-Benzyl-2-(4-(3-cyano-5-(trifluoromethoxy)benzoyl)piperazin-1-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C28H25F3N4O3
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| Molecular Weight |
522.527
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| Canonical SMILES |
N#Cc1cc(OC(F)(F)F)cc(C(=O)N2CCN([C@@H](C(=O)NCc3ccccc3)c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C28H25F3N4O3/c29-28(30,31)38-24-16-21(18-32)15-23(17-24)27(37)35-13-11-34(12-14-35)25(22-9-5-2-6-10-22)26(36)33-19-20-7-3-1-4-8-20/h1-10,15-17,25H,11-14,19H2,(H,33,36)/t25-/m1/s1
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| InChIKey |
NXOLRSKOGVZGJE-RUZDIDTESA-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