General Information of the Compound
| Compound ID |
CP0957874
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| Compound Name |
US9199981, F16
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| Structure |
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| Formula |
C24H24N6O3
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| Molecular Weight |
444.495
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| Canonical SMILES |
Cc1ccc(-c2noc(C3CC(=NOC(C)C)C3)n2)cc1NC(=O)c1cnc2ccccn12
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| InChI |
InChI=1S/C24H24N6O3/c1-14(2)32-28-18-10-17(11-18)24-27-22(29-33-24)16-8-7-15(3)19(12-16)26-23(31)20-13-25-21-6-4-5-9-30(20)21/h4-9,12-14,17H,10-11H2,1-3H3,(H,26,31)
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| InChIKey |
YPJQEOYEDWLTPQ-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