General Information of the Compound
| Compound ID |
CP0556145
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| Compound Name |
CHEMBL4091329
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| Formula |
C18H26N4O2
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| Molecular Weight |
330.432
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| Canonical SMILES |
COc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2cc1OC
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| InChI |
InChI=1S/C18H26N4O2/c1-22(2)13-7-5-12(6-8-13)21-18-14-9-16(23-3)17(24-4)10-15(14)19-11-20-18/h9-13H,5-8H2,1-4H3,(H,19,20,21)/t12-,13-
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| InChIKey |
IUFCXZMTAHSOOU-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