General Information of the Compound
| Compound ID |
CP0577819
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| Compound Name |
US8614213, 19.1
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| Formula |
C20H20ClF4N3O
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| Molecular Weight |
429.845
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| Canonical SMILES |
Fc1cncc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c1
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| InChI |
InChI=1S/C20H20ClF4N3O/c21-18-6-3-13(20(23,24)25)7-17(18)19(29)28-15-4-1-12(2-5-15)9-27-16-8-14(22)10-26-11-16/h3,6-8,10-12,15,27H,1-2,4-5,9H2,(H,28,29)/t12-,15-
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| InChIKey |
OVEHJYQUDWRORM-NNUKFRKNSA-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