General Information of the Compound
| Compound ID |
CP0441095
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| Compound Name |
US10077266, Example 131
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| Structure |
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| Formula |
C24H31F2N5O2
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| Molecular Weight |
459.541
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| Canonical SMILES |
CCC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC(C)C)nc2C1
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| InChI |
InChI=1S/C24H31F2N5O2/c1-4-22(32)31-12-9-19-20(14-31)28-23(27-15(2)3)24(29-19)30-10-7-17(8-11-30)33-21-6-5-16(25)13-18(21)26/h5-6,13,15,17H,4,7-12,14H2,1-3H3,(H,27,28)
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| InChIKey |
BOKJSHWVCIWGHN-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