General Information of the Compound
| Compound ID |
CP0443342
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| Compound Name |
US9216968, 231
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| Structure |
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| Formula |
C26H29F3N4O3
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| Molecular Weight |
502.537
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)NCC1CCCCCC1
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| InChI |
InChI=1S/C26H29F3N4O3/c1-36-15-22-32-21-13-17(31-25(35)18-10-6-7-11-20(18)26(27,28)29)12-19(23(21)33-22)24(34)30-14-16-8-4-2-3-5-9-16/h6-7,10-13,16H,2-5,8-9,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33)
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| InChIKey |
ADEGOAPBBTXCBS-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