General Information of the Compound
| Compound ID |
CP0512369
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| Compound Name |
US10300060, Example 21-9
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| Structure |
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| Formula |
C30H21F3N8O3
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| Molecular Weight |
598.545
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| Canonical SMILES |
COc1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5cccnc5)C(F)(F)F)cn4)cc3)c2n1
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| InChI |
InChI=1S/C30H21F3N8O3/c1-43-26-10-12-41-27(40-26)24(17-37-41)18-4-7-22(8-5-18)44-29-35-15-21(16-36-29)38-28(42)39-25-13-20(30(31,32)33)6-9-23(25)19-3-2-11-34-14-19/h2-17H,1H3,(H2,38,39,42)
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| InChIKey |
OFYFUZOOWMNHGF-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