General Information of the Compound
| Compound ID |
CP0011925
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| Compound Name |
US9777008, Compound 259
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
Cn1cncc1C(=O)Nc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C23H26N4O3/c1-26-16-24-12-22(26)23(29)25-19-7-4-8-21(11-19)30-15-20(28)14-27-10-9-17-5-2-3-6-18(17)13-27/h2-8,11-12,16,20,28H,9-10,13-15H2,1H3,(H,25,29)/t20-/m1/s1
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| InChIKey |
JPOGNNUFNZPYTC-HXUWFJFHSA-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