General Information of the Compound
| Compound ID |
CP0700334
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| Compound Name |
US9260440, 18
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| Structure |
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| Formula |
C14H12FN3O
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| Molecular Weight |
257.268
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| Canonical SMILES |
CC1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
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| InChI |
InChI=1S/C14H12FN3O/c1-6-2-9-13-11(3-6)17-18-14(19)8-4-7(15)5-10(16-9)12(8)13/h4-6,16H,2-3H2,1H3,(H,18,19)
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| InChIKey |
MZLDTLJZDXBQCV-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