General Information of the Compound
| Compound ID |
CP0498011
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| Compound Name |
US9469631, 49
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| Structure |
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| Formula |
C21H26FN5O3
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| Molecular Weight |
415.469
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| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(c(F)c1)-n1cncn1
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| InChI |
InChI=1S/C21H26FN5O3/c1-14(2)30-21(29)25-9-7-17(8-10-25)27(16-4-5-16)20(28)15-3-6-19(18(22)11-15)26-13-23-12-24-26/h3,6,11-14,16-17H,4-5,7-10H2,1-2H3
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| InChIKey |
PJTMYKZNUXCNJS-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