General Information of the Compound
| Compound ID |
CP0536197
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| Compound Name |
US8975261, I-54
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| Structure |
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| Formula |
C17H20N6O
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| Molecular Weight |
324.388
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| Canonical SMILES |
Cc1ncc(-c2cnn(C)c2)c(OC[C@H]2C[C@@H]2c2ccn(C)n2)n1
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| InChI |
InChI=1S/C17H20N6O/c1-11-18-8-15(13-7-19-23(3)9-13)17(20-11)24-10-12-6-14(12)16-4-5-22(2)21-16/h4-5,7-9,12,14H,6,10H2,1-3H3/t12-,14+/m1/s1
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| InChIKey |
SBMWOGGNDJAYMO-OCCSQVGLSA-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