General Information of the Compound
| Compound ID |
CP0556652
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| Compound Name |
Compound 1-58
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| Structure |
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| Formula |
C15H12F3N3O
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| Molecular Weight |
307.275
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| Canonical SMILES |
NCc1cc(Oc2cccc3[nH]ccc23)nc(c1)C(F)(F)F
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| InChI |
InChI=1S/C15H12F3N3O/c16-15(17,18)13-6-9(8-19)7-14(21-13)22-12-3-1-2-11-10(12)4-5-20-11/h1-7,20H,8,19H2
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| InChIKey |
PKZVFOVXYKCBCJ-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