General Information of the Compound
| Compound ID |
CP0559434
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| Compound Name |
US9200001, 52
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| Structure |
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| Formula |
C26H25N7
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| Molecular Weight |
435.535
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)C1CC1c1nc2ccccc2n1Cc1ccccc1
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| InChI |
InChI=1S/C26H25N7/c1-16-28-23(14-25(29-16)33-18(3)27-17(2)31-33)20-13-21(20)26-30-22-11-7-8-12-24(22)32(26)15-19-9-5-4-6-10-19/h4-12,14,20-21H,13,15H2,1-3H3
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| InChIKey |
WHRFJZSNZMNANE-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