General Information of the Compound
| Compound ID |
CP0573801
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| Compound Name |
US8835444, 5.26
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| Formula |
C21H25ClF3N3O
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| Molecular Weight |
427.898
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| Canonical SMILES |
CCc1cc(C)nn1C[C@H]1CC[C@@H](CC1)NC(=O)c1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H25ClF3N3O/c1-3-17-10-13(2)27-28(17)12-14-4-7-16(8-5-14)26-20(29)18-11-15(21(23,24)25)6-9-19(18)22/h6,9-11,14,16H,3-5,7-8,12H2,1-2H3,(H,26,29)/t14-,16-
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| InChIKey |
CQDAKWJVFKETDG-KOMQPUFPSA-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