General Information of the Compound
| Compound ID |
CP0576407
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| Compound Name |
US9199981, F144
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| Structure |
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| Formula |
C27H29F2N7O2
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| Molecular Weight |
521.572
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| Canonical SMILES |
CN1CCN(Cc2ccc3ncc(C(=O)Nc4cc(ccc4C)-c4noc(n4)C4CC(F)(F)C4)n3c2)CC1
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| InChI |
InChI=1S/C27H29F2N7O2/c1-17-3-5-19(24-32-26(38-33-24)20-12-27(28,29)13-20)11-21(17)31-25(37)22-14-30-23-6-4-18(16-36(22)23)15-35-9-7-34(2)8-10-35/h3-6,11,14,16,20H,7-10,12-13,15H2,1-2H3,(H,31,37)
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| InChIKey |
KMBADQVFWVIROD-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