General Information of the Compound
| Compound ID |
CP0516833
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| Compound Name |
US10336717, Compound 471
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| Structure |
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| Formula |
C25H20N6O
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| Molecular Weight |
420.476
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| Canonical SMILES |
CN1C(N)=NC2(C1=O)c1cc(ccc1CC21Cc2cnncc2C1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C25H20N6O/c1-31-22(32)25(30-23(31)27)21-8-17(16-4-2-3-15(7-16)12-26)5-6-18(21)9-24(25)10-19-13-28-29-14-20(19)11-24/h2-8,13-14H,9-11H2,1H3,(H2,27,30)
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| InChIKey |
WZOJNUIGFJBGMK-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