General Information of the Compound
| Compound ID |
CP0555081
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| Compound Name |
US8962837, 37
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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 |
CC1CN(CCC1Oc1cc(ccc1Cl)C(F)(F)F)c1nccnn1
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| InChI |
InChI=1S/C16H16ClF3N4O/c1-10-9-24(15-21-5-6-22-23-15)7-4-13(10)25-14-8-11(16(18,19)20)2-3-12(14)17/h2-3,5-6,8,10,13H,4,7,9H2,1H3
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| InChIKey |
PFTDBWKSVBQWLD-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