General Information of the Compound
| Compound ID |
CP0544767
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| Compound Name |
US8835444, 2.15
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| Formula |
C21H23ClF3N3O
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| Molecular Weight |
425.882
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](Cn2ncc3CCCc23)CC1
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| InChI |
InChI=1S/C21H23ClF3N3O/c22-18-9-6-15(21(23,24)25)10-17(18)20(29)27-16-7-4-13(5-8-16)12-28-19-3-1-2-14(19)11-26-28/h6,9-11,13,16H,1-5,7-8,12H2,(H,27,29)/t13-,16-
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| InChIKey |
KAUBLHQZGOJOTO-SAZUREKKSA-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