General Information of the Compound
| Compound ID |
CP0374121
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
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| Structure |
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| Formula |
C28H28F5N5O3
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| Molecular Weight |
577.554
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)N=C(NC4=O)c3ccccc3)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C28H28F5N5O3/c29-20-8-4-7-19(22(20)30)18-9-10-21(24(39)38(15-18)16-28(31,32)33)34-26(41)37-13-11-27(12-14-37)25(40)35-23(36-27)17-5-2-1-3-6-17/h1-8,18,21H,9-16H2,(H,34,41)(H,35,36,40)/t18-,21-/m1/s1
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| InChIKey |
MVAQCRCFWCLMTI-WIYYLYMNSA-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