General Information of the Compound
| Compound ID |
CP0381750
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| Compound Name |
US8835444, 5.1
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| Formula |
C22H27ClF3N3O
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| Molecular Weight |
441.925
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| Canonical SMILES |
CCc1cc(CC)n(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H27ClF3N3O/c1-3-16-12-18(4-2)29(28-16)13-14-5-8-17(9-6-14)27-21(30)19-11-15(22(24,25)26)7-10-20(19)23/h7,10-12,14,17H,3-6,8-9,13H2,1-2H3,(H,27,30)/t14-,17-
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| InChIKey |
YRZWOGUFXLWUKM-CZIWCDLHSA-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