General Information of the Compound
| Compound ID |
CP0442833
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| Compound Name |
CHEMBL214388
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| Formula |
C23H24F6N2O2
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| Molecular Weight |
474.445
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| Canonical SMILES |
CNC(=O)[C@]1(N)C[C@](CO[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(C1)c1ccccc1
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| InChI |
InChI=1S/C23H24F6N2O2/c1-14(15-8-17(22(24,25)26)10-18(9-15)23(27,28)29)33-13-20(16-6-4-3-5-7-16)11-21(30,12-20)19(32)31-2/h3-10,14H,11-13,30H2,1-2H3,(H,31,32)/t14-,20-,21+/m1/s1
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| InChIKey |
OHDQKQGDHONPAR-IFZYUDKTSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01410, Substance-P receptor