General Information of the Compound
| Compound ID |
CP0274117
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| Compound Name |
US9233968, 10
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| Structure |
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| Formula |
C30H17F8N7O2
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| Molecular Weight |
659.497
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)Nc1cn2nc(ccc2n1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H17F8N7O2/c31-21-10-4-17(29(33,34)35)13-23(21)40-27(46)39-19-6-1-16(2-7-19)3-8-20-9-12-26-42-25(15-45(26)44-20)43-28(47)41-24-14-18(30(36,37)38)5-11-22(24)32/h1-2,4-7,9-15H,(H2,39,40,46)(H2,41,43,47)
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| InChIKey |
IICMOVMVDDUJJO-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