General Information of the Compound
| Compound ID |
CP0510196
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| Compound Name |
US8680275, 117
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| Structure |
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| Formula |
C23H20FN7O
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| Molecular Weight |
429.459
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| Canonical SMILES |
Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1cnc2ccccc2n1)-n1nccn1
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| InChI |
InChI=1S/C23H20FN7O/c24-16-4-3-7-19(31-26-9-10-27-31)22(16)23(32)29-11-8-15-13-30(20(15)14-29)21-12-25-17-5-1-2-6-18(17)28-21/h1-7,9-10,12,15,20H,8,11,13-14H2/t15-,20-/m0/s1
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| InChIKey |
NOAUFFLMJAOCOG-YWZLYKJASA-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