General Information of the Compound
| Compound ID |
CP0438897
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| Compound Name |
US10077266, Example 4
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| Structure |
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| Formula |
C25H34F2N6O3
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| Molecular Weight |
504.582
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| Canonical SMILES |
COCCNC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(NC(C)C)nc2C1
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| InChI |
InChI=1S/C25H34F2N6O3/c1-16(2)29-23-24(31-20-8-12-33(15-21(20)30-23)25(34)28-9-13-35-3)32-10-6-18(7-11-32)36-22-5-4-17(26)14-19(22)27/h4-5,14,16,18H,6-13,15H2,1-3H3,(H,28,34)(H,29,30)
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| InChIKey |
SZPUFGYPZNGJJQ-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