General Information of the Compound
| Compound ID |
CP0520558
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| Compound Name |
US8993586, 40
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| Structure |
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| Formula |
C22H28N6O2
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| Molecular Weight |
408.506
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| Canonical SMILES |
CC(C)n1cc2CC3(CCN(CC3)C(=O)C3=CC4N=C(C)NC4C=C3)NC(=O)c2n1
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| InChI |
InChI=1S/C22H28N6O2/c1-13(2)28-12-16-11-22(25-20(29)19(16)26-28)6-8-27(9-7-22)21(30)15-4-5-17-18(10-15)24-14(3)23-17/h4-5,10,12-13,17-18H,6-9,11H2,1-3H3,(H,23,24)(H,25,29)
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| InChIKey |
ANAKDCUYYIEDCP-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