General Information of the Compound
| Compound ID |
CP0559765
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| Compound Name |
US10336717, Compound 456
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| Structure |
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| Formula |
C26H24N6O
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| Molecular Weight |
436.519
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2cnncc2CC1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C26H24N6O/c1-32-24(28)31-26(33-32)23-12-19(18-4-2-3-17(11-18)14-27)5-6-20(23)13-25(26)9-7-21-15-29-30-16-22(21)8-10-25/h2-6,11-12,15-16H,7-10,13H2,1H3,(H2,28,31)
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| InChIKey |
NRTWYDAMPPWJPV-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