General Information of the Compound
| Compound ID |
CP0542008
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| Compound Name |
US8962837, 27
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| Structure |
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| Formula |
C16H16ClF3N4O
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| Molecular Weight |
372.778
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| Canonical SMILES |
Cc1cnnc(n1)N1CCC(CC1)Oc1cc(ccc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C16H16ClF3N4O/c1-10-9-21-23-15(22-10)24-6-4-12(5-7-24)25-14-8-11(16(18,19)20)2-3-13(14)17/h2-3,8-9,12H,4-7H2,1H3
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| InChIKey |
JCKWAMLBAVAUAV-UHFFFAOYSA-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