General Information of the Compound
| Compound ID |
CP0914702
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| Compound Name |
SID90341650
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| Structure |
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| Formula |
C21H20N6O3
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| Molecular Weight |
404.43
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| Canonical SMILES |
COc1ccc(-c2cc3ncc(C)n3c(Nc3ncccc3C(N)=O)n2)cc1OC
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| InChI |
InChI=1S/C21H20N6O3/c1-12-11-24-18-10-15(13-6-7-16(29-2)17(9-13)30-3)25-21(27(12)18)26-20-14(19(22)28)5-4-8-23-20/h4-11H,1-3H3,(H2,22,28)(H,23,25,26)
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| InChIKey |
INTRBKZBDWMHHQ-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