General Information of the Compound
| Compound ID |
CP0883378
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| Compound Name |
(R)-N-Benzyl-2-(4-(2-chloro-5-fluoronicotinoyl)piperazin-1-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C25H24ClFN4O2
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| Molecular Weight |
466.944
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| Canonical SMILES |
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(F)cnc2Cl)CC1
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| InChI |
InChI=1S/C25H24ClFN4O2/c26-23-21(15-20(27)17-28-23)25(33)31-13-11-30(12-14-31)22(19-9-5-2-6-10-19)24(32)29-16-18-7-3-1-4-8-18/h1-10,15,17,22H,11-14,16H2,(H,29,32)/t22-/m1/s1
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| InChIKey |
AUTJOPRJESGHDP-JOCHJYFZSA-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