General Information of the Compound
| Compound ID |
CP0540012
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| Compound Name |
US9351973, 12
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| Structure |
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| Formula |
C13H13FN4O
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| Molecular Weight |
260.272
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| Canonical SMILES |
CN1c2c(C)c(nn2CCC1=O)-c1cncc(F)c1
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| InChI |
InChI=1S/C13H13FN4O/c1-8-12(9-5-10(14)7-15-6-9)16-18-4-3-11(19)17(2)13(8)18/h5-7H,3-4H2,1-2H3
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| InChIKey |
ZNUSXAVKKIGLRC-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial