General Information of the Compound
| Compound ID |
CP0471511
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| Compound Name |
US10028961, Compound 304
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| Structure |
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| Formula |
C19H25F4N7
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| Molecular Weight |
427.45
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| Canonical SMILES |
Cn1ccc(n1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
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| InChI |
InChI=1S/C19H25F4N7/c1-30-11-6-14(29-30)15-26-16(24-12-2-7-18(20,21)8-3-12)28-17(27-15)25-13-4-9-19(22,23)10-5-13/h6,11-13H,2-5,7-10H2,1H3,(H2,24,25,26,27,28)
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| InChIKey |
QCQLUIVJCWNARE-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