General Information of the Compound
| Compound ID |
CP0541870
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| Compound Name |
US9029393, 111
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| Structure |
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| Formula |
C27H30FN7O2
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| Molecular Weight |
503.582
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| Canonical SMILES |
CN1CCN(CC1)C(=O)n1nc(-c2cnc3ccc(F)cn23)c2ccc(cc12)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C27H30FN7O2/c1-31-12-14-33(15-13-31)27(37)35-22-16-19(26(36)32-10-4-2-3-5-11-32)6-8-21(22)25(30-35)23-17-29-24-9-7-20(28)18-34(23)24/h6-9,16-18H,2-5,10-15H2,1H3
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| InChIKey |
SZQAEQZORIFLTJ-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