General Information of the Compound
| Compound ID |
CP0531825
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| Compound Name |
US8614213, 21.8
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| Formula |
C20H22Cl2F3N3O
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| Molecular Weight |
448.316
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| Canonical SMILES |
Cc1nn(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/C20H22Cl2F3N3O/c1-11-18(22)12(2)28(27-11)10-13-3-6-15(7-4-13)26-19(29)16-9-14(20(23,24)25)5-8-17(16)21/h5,8-9,13,15H,3-4,6-7,10H2,1-2H3,(H,26,29)/t13-,15-
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| InChIKey |
QJLODLOESBNNPM-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