General Information of the Compound
| Compound ID |
CP0520676
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| Compound Name |
US8969325, 88
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| Structure |
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| Formula |
C23H22FN3O3
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| Molecular Weight |
407.445
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc34)c2ccc1=O
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| InChI |
InChI=1S/C23H22FN3O3/c1-27-19-5-2-4-17(15(19)7-9-21(27)28)25-22(29)26-18-13-23(10-3-11-23)30-20-8-6-14(24)12-16(18)20/h2,4-9,12,18H,3,10-11,13H2,1H3,(H2,25,26,29)/t18-/m0/s1
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| InChIKey |
WEHVPUWXAOYTEK-SFHVURJKSA-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