General Information of the Compound
| Compound ID |
CP0026701
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| Compound Name |
1-Phenyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]-quinazoline-3-carboxamide
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| Structure |
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| Formula |
C22H18N6O
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| Molecular Weight |
382.427
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| Canonical SMILES |
NC(=O)c1nn(c-2c1CCc1cnc(Nc3ccccc3)nc-21)-c1ccccc1
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| InChI |
InChI=1S/C22H18N6O/c23-21(29)19-17-12-11-14-13-24-22(25-15-7-3-1-4-8-15)26-18(14)20(17)28(27-19)16-9-5-2-6-10-16/h1-10,13H,11-12H2,(H2,23,29)(H,24,25,26)
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| InChIKey |
KGLRLXMTNCPNET-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