General Information of the Compound
| Compound ID |
CP0515434
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| Compound Name |
US9187424, 246
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| Structure |
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| Formula |
C27H25F6N5O3
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| Molecular Weight |
581.517
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| Canonical SMILES |
Cc1ccc(cc1)C1=C(NC(=O)c2cn(C)nn2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F6N5O3/c1-16-4-6-17(7-5-16)20-14-25(27(31,32)33,18-8-10-19(11-9-18)41-13-3-12-26(28,29)30)35-24(40)22(20)34-23(39)21-15-38(2)37-36-21/h4-11,15H,3,12-14H2,1-2H3,(H,34,39)(H,35,40)
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| InChIKey |
RSORSLNDKSYETN-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