General Information of the Compound
| Compound ID |
CP0388297
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-1-oxo-3-phenyl-2,8-diazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C29H31F5N4O3
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| Molecular Weight |
578.582
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC(NC4=O)c4ccccc4)CC3)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C29H31F5N4O3/c30-21-8-4-7-20(24(21)31)19-9-10-22(25(39)38(16-19)17-29(32,33)34)36-27(41)37-13-11-28(12-14-37)15-23(35-26(28)40)18-5-2-1-3-6-18/h1-8,19,22-23H,9-17H2,(H,35,40)(H,36,41)/t19-,22-,23?/m1/s1
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| InChIKey |
WUJIDDIKIOHUSX-YNDSPKASSA-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