General Information of the Compound
| Compound ID |
CP0529295
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| Compound Name |
US8637501, 72
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| Structure |
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| Formula |
C28H29FN4O2
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| Molecular Weight |
472.564
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| Canonical SMILES |
Cn1c2CCCN(Cc2c2ccc(cc12)-n1ccc(OCc2ccc(F)cn2)cc1=O)C1CCC1
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| InChI |
InChI=1S/C28H29FN4O2/c1-31-26-6-3-12-32(21-4-2-5-21)17-25(26)24-10-9-22(14-27(24)31)33-13-11-23(15-28(33)34)35-18-20-8-7-19(29)16-30-20/h7-11,13-16,21H,2-6,12,17-18H2,1H3
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| InChIKey |
ADFSGWLFHKOCNT-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