General Information of the Compound
| Compound ID |
CP0405461
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C23H26F5N5O4
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| Molecular Weight |
531.482
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| Canonical SMILES |
CN1C(=O)NC(=O)C11CCN(CC1)C(=O)N[C@@H]1CC[C@H](CN(CC(F)(F)F)C1=O)c1cccc(F)c1F
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| InChI |
InChI=1S/C23H26F5N5O4/c1-31-20(36)30-19(35)22(31)7-9-32(10-8-22)21(37)29-16-6-5-13(14-3-2-4-15(24)17(14)25)11-33(18(16)34)12-23(26,27)28/h2-4,13,16H,5-12H2,1H3,(H,29,37)(H,30,35,36)/t13-,16-/m1/s1
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| InChIKey |
NOCOFNXJJFFHJU-CZUORRHYSA-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