General Information of the Compound
| Compound ID |
CP0438898
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| Compound Name |
US10077266, Example 7
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| Structure |
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| Formula |
C24H29FN6O2
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| Molecular Weight |
452.534
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(cc1F)C#N)C(C)=O
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| InChI |
InChI=1S/C24H29FN6O2/c1-15(2)27-23-24(29-20-8-11-31(16(3)32)14-21(20)28-23)30-9-6-18(7-10-30)33-22-5-4-17(13-26)12-19(22)25/h4-5,12,15,18H,6-11,14H2,1-3H3,(H,27,28)
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| InChIKey |
BNLZKWDQCXRTAO-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