General Information of the Compound
| Compound ID |
CP0555304
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| Compound Name |
US8637501, 99
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| Structure |
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| Formula |
C27H33FN4O
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| Molecular Weight |
448.586
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| Canonical SMILES |
CCN1CCc2c(CC1)c1ccc(cc1n2C)N1CCN(CCc2ccc(F)cc2)CC1=O
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| InChI |
InChI=1S/C27H33FN4O/c1-3-30-14-11-24-23-9-8-22(18-26(23)29(2)25(24)12-15-30)32-17-16-31(19-27(32)33)13-10-20-4-6-21(28)7-5-20/h4-9,18H,3,10-17,19H2,1-2H3
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| InChIKey |
XIZRGMKKKUGYNK-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