General Information of the Compound
| Compound ID |
CP0334665
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| Compound Name |
CHEMBL4089544
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| Formula |
C17H24N4O
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| Molecular Weight |
300.406
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| Canonical SMILES |
COc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1
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| InChI |
InChI=1S/C17H24N4O/c1-21(2)13-6-4-12(5-7-13)20-17-15-10-14(22-3)8-9-16(15)18-11-19-17/h8-13H,4-7H2,1-3H3,(H,18,19,20)/t12-,13-
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| InChIKey |
MZRXMXNHTZLJKF-JOCQHMNTSA-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