General Information of the Compound
| Compound ID |
CP0518372
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| Compound Name |
US8987473, 163
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| Structure |
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| Formula |
C17H17N7
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| Molecular Weight |
319.372
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| Canonical SMILES |
Cc1nn(Cc2cc(C)ccc2C)c2cc(cnc12)-c1nnn[nH]1
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| InChI |
InChI=1S/C17H17N7/c1-10-4-5-11(2)14(6-10)9-24-15-7-13(17-19-22-23-20-17)8-18-16(15)12(3)21-24/h4-8H,9H2,1-3H3,(H,19,20,22,23)
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| InChIKey |
MCWXHSAWTMREQD-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