General Information of the Compound
| Compound ID |
CP0477529
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| Compound Name |
CHEMBL2315936
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| Formula |
C27H27F3N6O
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| Molecular Weight |
508.548
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3C#N)c2c1
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| InChI |
InChI=1S/C27H27F3N6O/c28-27(29,30)19-7-10-24-23(11-19)26(34-16-33-24)32-13-25(37)35-20-14-36(15-20)21-8-5-17(6-9-21)22-4-2-1-3-18(22)12-31/h1-4,7,10-11,16-17,20-21H,5-6,8-9,13-15H2,(H,35,37)(H,32,33,34)/t17-,21+
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| InChIKey |
PWBWAGXCEDGBQO-UEDWGHLCSA-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