General Information of the Compound
| Compound ID |
CP0463153
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| Compound Name |
US8618299, 56
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| Structure |
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| Formula |
C25H23F2N5O2
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| Molecular Weight |
463.488
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| Canonical SMILES |
Cn1c2CC3CCCN3Cc2c2ccc(nc12)-n1ccc(OCc2ncc(F)cc2F)cc1=O
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| InChI |
InChI=1S/C25H23F2N5O2/c1-30-22-10-16-3-2-7-31(16)13-19(22)18-4-5-23(29-25(18)30)32-8-6-17(11-24(32)33)34-14-21-20(27)9-15(26)12-28-21/h4-6,8-9,11-12,16H,2-3,7,10,13-14H2,1H3
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| InChIKey |
WEIMLKGZNVLBEL-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