General Information of the Compound
| Compound ID |
CP0306649
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| Compound Name |
7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)isoquinolin-1-amine
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| Structure |
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| Formula |
C23H26N8O
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| Molecular Weight |
430.516
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3CCNCC3)c2c1
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| InChI |
InChI=1S/C23H26N8O/c1-30-10-11-32-20-19(30)14-27-31-22(28-29-23(20)31)17-3-2-16-6-9-25-21(18(16)12-17)26-13-15-4-7-24-8-5-15/h2-3,6,9,12,14-15,24H,4-5,7-8,10-11,13H2,1H3,(H,25,26)
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| InChIKey |
MGOSXKXPLHPFEB-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