General Information of the Compound
| Compound ID |
CP0491392
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| Compound Name |
(S)-1-oxo-3-phenyl-2-(pyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
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| Structure |
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| Formula |
C26H23F3N4O2
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| Molecular Weight |
480.49
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)N2CCC3(CC2)[C@@H](N(C3=O)c2ccccn2)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H23F3N4O2/c27-26(28,29)19-9-11-20(12-10-19)31-24(35)32-16-13-25(14-17-32)22(18-6-2-1-3-7-18)33(23(25)34)21-8-4-5-15-30-21/h1-12,15,22H,13-14,16-17H2,(H,31,35)/t22-/m0/s1
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| InChIKey |
JJYMDGAAHPIJQC-QFIPXVFZSA-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