General Information of the Compound
| Compound ID |
CP0573766
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| Compound Name |
US8835444, 5.29
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| Formula |
C21H24Cl2F3N3O
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| Molecular Weight |
462.343
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| Canonical SMILES |
CCc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(C)c1Cl
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| InChI |
InChI=1S/C21H24Cl2F3N3O/c1-3-18-19(23)12(2)29(28-18)11-13-4-7-15(8-5-13)27-20(30)16-10-14(21(24,25)26)6-9-17(16)22/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,27,30)/t13-,15-
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| InChIKey |
WYPKJBZTZFZUPF-CTYIDZIISA-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