General Information of the Compound
| Compound ID |
CP0873914
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| Compound Name |
(R)-N-Benzyl-2-(8-(2-chloro-5-fluorobenzoyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-phenylacetamide
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| Structure |
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| Formula |
C28H27ClFN3O2
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| Molecular Weight |
491.994
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| Canonical SMILES |
O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CC2CCC(C1)N2C(=O)c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C28H27ClFN3O2/c29-25-14-11-21(30)15-24(25)28(35)33-22-12-13-23(33)18-32(17-22)26(20-9-5-2-6-10-20)27(34)31-16-19-7-3-1-4-8-19/h1-11,14-15,22-23,26H,12-13,16-18H2,(H,31,34)/t22?,23?,26-/m1/s1
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| InChIKey |
BQHBHGGMKILLQO-QGPIEZSZSA-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