General Information of the Compound
| Compound ID |
CP0417402
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| Compound Name |
C-014C
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| Synonyms |
BDBM50244050
C-014C
CHEMBL509396
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| Structure |
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
COc1cc2nc(NC3CCCC3)nc(NC3CCCCCC3)c2cc1OC
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| InChI |
InChI=1S/C22H32N4O2/c1-27-19-13-17-18(14-20(19)28-2)25-22(24-16-11-7-8-12-16)26-21(17)23-15-9-5-3-4-6-10-15/h13-16H,3-12H2,1-2H3,(H2,23,24,25,26)
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| InChIKey |
HZBKRPBMAVNOCZ-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
Clinical Information about the Compound