General Information of the Compound
| Compound ID |
CP0490962
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| Compound Name |
US9409915, 72
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| Structure |
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| Formula |
C25H23ClF3N5
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| Molecular Weight |
485.941
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| Canonical SMILES |
Cn1nc2c(CCC22CCCCC2)c1-c1nc2cc(nc(Cl)c2[nH]1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H23ClF3N5/c1-34-20(15-9-12-24(21(15)33-34)10-5-2-6-11-24)23-31-18-13-17(30-22(26)19(18)32-23)14-7-3-4-8-16(14)25(27,28)29/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,31,32)
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| InChIKey |
WOJYRTCORYWZNJ-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