General Information of the Compound
| Compound ID |
CP0859594
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| Compound Name |
(R)-N-(Cyclopropylmethyl)-2-(4-(3,5-difluorobenzoyl)piperazin-1-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C23H25F2N3O2
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| Molecular Weight |
413.468
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| Canonical SMILES |
O=C(NCC1CC1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cc(F)c2)CC1
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| InChI |
InChI=1S/C23H25F2N3O2/c24-19-12-18(13-20(25)14-19)23(30)28-10-8-27(9-11-28)21(17-4-2-1-3-5-17)22(29)26-15-16-6-7-16/h1-5,12-14,16,21H,6-11,15H2,(H,26,29)/t21-/m1/s1
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| InChIKey |
PDZFTSNLQQQGTI-OAQYLSRUSA-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