General Information of the Compound
| Compound ID |
CP0016827
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| Compound Name |
pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
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| Structure |
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| Formula |
C18H18N6O
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| Molecular Weight |
334.383
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| Canonical SMILES |
CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
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| InChI |
InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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| InChIKey |
UOZGSFYRTXKQQR-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