General Information of the Compound
| Compound ID |
CP0541579
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2-oxospiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C28H29F5N4O3
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| Molecular Weight |
564.555
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)Cc3ccccc3NC4=O)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C28H29F5N4O3/c29-20-6-3-5-19(23(20)30)18-8-9-22(24(38)37(15-18)16-28(31,32)33)35-26(40)36-12-10-27(11-13-36)14-17-4-1-2-7-21(17)34-25(27)39/h1-7,18,22H,8-16H2,(H,34,39)(H,35,40)/t18-,22-/m1/s1
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| InChIKey |
RZQOPRHUTZZKEV-XMSQKQJNSA-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