General Information of the Compound
| Compound ID |
CP0017650
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| Compound Name |
8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
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| Structure |
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| Formula |
C18H15F3N6O
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| Molecular Weight |
388.353
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| Canonical SMILES |
NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1cnc(Nc3ccccc3)nc-21
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| InChI |
InChI=1S/C18H15F3N6O/c19-18(20,21)9-27-15-12(14(26-27)16(22)28)7-6-10-8-23-17(25-13(10)15)24-11-4-2-1-3-5-11/h1-5,8H,6-7,9H2,(H2,22,28)(H,23,24,25)
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| InChIKey |
HWASNOYCCGHVQF-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