General Information of the Compound
| Compound ID |
CP0870802
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| Compound Name |
US8614213, 4.15
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| Formula |
C21H26ClF3N4O
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| Molecular Weight |
442.913
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| Canonical SMILES |
CCCc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)n[nH]1
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| InChI |
InChI=1S/C21H26ClF3N4O/c1-2-3-16-11-19(29-28-16)26-12-13-4-7-15(8-5-13)27-20(30)17-10-14(21(23,24)25)6-9-18(17)22/h6,9-11,13,15H,2-5,7-8,12H2,1H3,(H,27,30)(H2,26,28,29)/t13-,15-
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| InChIKey |
JMKWIZNFXVNIDO-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