General Information of the Compound
| Compound ID |
CP0517241
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| Compound Name |
US9409915, 24
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| Structure |
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| Formula |
C27H29F3N8
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| Molecular Weight |
522.579
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| Canonical SMILES |
CN1CCN(CC1)c1nc(cc2nc([nH]c12)-c1c(C#N)c(nn1C)C(C)(C)C)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F3N8/c1-26(2,3)23-17(15-31)22(37(5)35-23)24-32-20-14-19(16-8-6-7-9-18(16)27(28,29)30)33-25(21(20)34-24)38-12-10-36(4)11-13-38/h6-9,14H,10-13H2,1-5H3,(H,32,34)
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| InChIKey |
BFAIJLJRRSPRKA-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