General Information of the Compound
| Compound ID |
CP0561530
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| Compound Name |
US8618299, 18
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| Structure |
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| Formula |
C27H25F3N4O2
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| Molecular Weight |
494.517
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| Canonical SMILES |
Cn1c2CCN3CCCC3c2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
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| InChI |
InChI=1S/C27H25F3N4O2/c1-32-21-9-11-33-10-2-3-22(33)26(21)20-6-5-18(13-23(20)32)34-12-8-19(14-25(34)35)36-16-17-4-7-24(31-15-17)27(28,29)30/h4-8,12-15,22H,2-3,9-11,16H2,1H3
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| InChIKey |
GMVPCIXIKYNLBY-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