General Information of the Compound
| Compound ID |
CP0530611
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| Compound Name |
US8993586, 53
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4c(n[nH]c4c3)C#N)NC(=O)c2n1
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| InChI |
InChI=1S/C23H25N7O2/c1-22(2,3)30-13-15-11-23(25-20(31)19(15)28-30)6-8-29(9-7-23)21(32)14-4-5-16-17(10-14)26-27-18(16)12-24/h4-5,10,13H,6-9,11H2,1-3H3,(H,25,31)(H,26,27)
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| InChIKey |
ZPMFYOLGQSIKSC-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