General Information of the Compound
| Compound ID |
CP0938693
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| Compound Name |
SID144191046
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| Formula |
C25H21F4N3O
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| Molecular Weight |
455.455
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| Canonical SMILES |
O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2N[C@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1
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| InChI |
InChI=1S/C25H21F4N3O/c26-19-3-1-2-17(12-19)15-4-6-16(7-5-15)23-21-13-32(14-22(23)31-21)24(33)30-20-10-8-18(9-11-20)25(27,28)29/h1-12,21-23,31H,13-14H2,(H,30,33)/t21-,22+,23-
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| InChIKey |
GVGJAYVNPBHLBZ-NUNAXRQHSA-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