General Information of the Compound
| Compound ID |
CP0542558
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| Compound Name |
CHEMBL5074647
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| Formula |
C17H25N5O
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| Molecular Weight |
315.421
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| Canonical SMILES |
CO[C@@H]1CC[C@@H](CC1)Nc1cc(C)nc(n1)-n1nc(C)cc1C
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| InChI |
InChI=1S/C17H25N5O/c1-11-10-16(19-14-5-7-15(23-4)8-6-14)20-17(18-11)22-13(3)9-12(2)21-22/h9-10,14-15H,5-8H2,1-4H3,(H,18,19,20)/t14-,15+
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| InChIKey |
LCFTVJNDYDYVRA-GASCZTMLSA-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