General Information of the Compound
| Compound ID |
CP0516107
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| Compound Name |
US8993586, 19
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| Structure |
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| Formula |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4C=NNC4N=C3)NC(=O)c12
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| InChI |
InChI=1S/C20H25N7O2/c1-12(2)27-16-15(11-23-27)8-20(24-18(16)28)3-5-26(6-4-20)19(29)14-7-13-10-22-25-17(13)21-9-14/h7,9-13,17,25H,3-6,8H2,1-2H3,(H,24,28)
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| InChIKey |
XPBFKHLWNBYPAN-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