General Information of the Compound
| Compound ID |
CP0492530
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| Compound Name |
US8637501, 61
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| Structure |
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| Formula |
C26H25FN4O3
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| Molecular Weight |
460.509
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| Canonical SMILES |
CC(=O)N1CCCc2c(C1)c1ccc(cc1n2C)-n1ccc(OCc2ccc(F)cn2)cc1=O
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| InChI |
InChI=1S/C26H25FN4O3/c1-17(32)30-10-3-4-24-23(15-30)22-8-7-20(12-25(22)29(24)2)31-11-9-21(13-26(31)33)34-16-19-6-5-18(27)14-28-19/h5-9,11-14H,3-4,10,15-16H2,1-2H3
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| InChIKey |
VNTOXVRNHVORGR-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