General Information of the Compound
| Compound ID |
CP0556069
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| Compound Name |
US8614213, 4.21
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| Formula |
C20H21ClF3N3O
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| Molecular Weight |
411.855
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| Canonical SMILES |
FC(F)(F)c1ccc(Cl)c(c1)C(=O)N[C@H]1CC[C@H](CNc2cccnc2)CC1
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| InChI |
InChI=1S/C20H21ClF3N3O/c21-18-8-5-14(20(22,23)24)10-17(18)19(28)27-15-6-3-13(4-7-15)11-26-16-2-1-9-25-12-16/h1-2,5,8-10,12-13,15,26H,3-4,6-7,11H2,(H,27,28)/t13-,15-
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| InChIKey |
TXMARZZBGFWVMT-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