General Information of the Compound
| Compound ID |
CP0060052
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| Compound Name |
4-methoxy-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
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| Structure |
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| Formula |
C23H24N4O
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| Molecular Weight |
372.472
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| Canonical SMILES |
COc1cc2c(cn1)[nH]c1ncc(cc21)-c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C23H24N4O/c1-28-22-12-19-20-11-18(13-25-23(20)26-21(19)14-24-22)17-7-5-16(6-8-17)15-27-9-3-2-4-10-27/h5-8,11-14H,2-4,9-10,15H2,1H3,(H,25,26)
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| InChIKey |
YXEHPUNPSRNFKC-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