General Information of the Compound
| Compound ID |
CP0412746
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| Compound Name |
US8829200, 12
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| Structure |
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| Formula |
C24H25FN6O
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| Molecular Weight |
432.503
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| Canonical SMILES |
CN(C)C(=O)c1ccc(F)c(c1)-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
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| InChI |
InChI=1S/C24H25FN6O/c1-24(2,3)31-20-9-7-14(16-12-27-23(26)28-13-16)11-19(20)29-21(31)17-10-15(6-8-18(17)25)22(32)30(4)5/h6-13H,1-5H3,(H2,26,27,28)
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| InChIKey |
RLTSWHSAPZGBLD-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