General Information of the Compound
| Compound ID |
CP0517954
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| Compound Name |
US8609647, 28
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| Structure |
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| Formula |
C18H22N6O
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| Molecular Weight |
338.415
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| Canonical SMILES |
CC1(C)CN(C(=O)CC#N)C11CCCN(C1)c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C18H22N6O/c1-17(2)10-24(14(25)4-7-19)18(17)6-3-9-23(11-18)16-13-5-8-20-15(13)21-12-22-16/h5,8,12H,3-4,6,9-11H2,1-2H3,(H,20,21,22)
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| InChIKey |
XOSMEQOCKMFFJZ-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