General Information of the Compound
| Compound ID |
CP0958959
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| Compound Name |
(R)-2-(4-Cyanophenyl)-N-(cyclopropylmethyl)-2-(8-(2,5-difluorobenzoyl)-3,8-diazabicyclo[3.2.1]octan-3-yl)acetamide
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| Structure |
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| Formula |
C26H26F2N4O2
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| Molecular Weight |
464.516
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| Canonical SMILES |
N#Cc1ccc([C@H](C(=O)NCC2CC2)N2CC3CCC(C2)N3C(=O)c2cc(F)ccc2F)cc1
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| InChI |
InChI=1S/C26H26F2N4O2/c27-19-7-10-23(28)22(11-19)26(34)32-20-8-9-21(32)15-31(14-20)24(25(33)30-13-17-1-2-17)18-5-3-16(12-29)4-6-18/h3-7,10-11,17,20-21,24H,1-2,8-9,13-15H2,(H,30,33)/t20?,21?,24-/m1/s1
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| InChIKey |
VBMRMFFQPCIXEU-SLXFGWRHSA-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