General Information of the Compound
| Compound ID |
CP0332074
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| Compound Name |
4-(2-fluorophenyl)-5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaen-12-one
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| Structure |
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| Formula |
C20H16FN3O
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| Molecular Weight |
333.366
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| Canonical SMILES |
Fc1ccccc1-c1cc2-c3[nH]c4CCNC(=O)c4c3CCc2cn1
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| InChI |
InChI=1S/C20H16FN3O/c21-15-4-2-1-3-12(15)17-9-14-11(10-23-17)5-6-13-18-16(24-19(13)14)7-8-22-20(18)25/h1-4,9-10,24H,5-8H2,(H,22,25)
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| InChIKey |
BKXIFWPZQGIBQU-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